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Sample records for aluminum hydride phases

  1. Hydride vapor phase epitaxy of aluminum nitride

    NASA Astrophysics Data System (ADS)

    Kamber, Derrick Shane

    AlN is a promising substrate material for AlGaN-based UV optoelectronic devices and high-power, high-frequency electronic devices. Since large-area bulk AlN crystals are not readily available, one approach to prepare AlN substrates is to heteroepitaxially deposit thick (e.g., 10-300+ mum) AlN layers by hydride vapor phase epitaxy. Initial efforts focused on growing AlN layers on sapphire substrates with growth rates up to 75 mum/hr. The resulting layers were colorless, smooth, and specular. Subsurface cracking, attributed to the plastic relief of tensile strain from island coalescence, was observed but did not adversely affect the surface morphology of the AlN layers. The surfaces possessed rms roughnesses as low as 0.316 nm over 5 x 5 mum2 sampling areas, but hexagonal hillock formation was observed for thick films grown at high growth rates. TEM revealed that the threading dislocation (TD) density of the films was 2 x 109 cm-2. The high TD densities for direct growth of AlN films on foreign substrates motivated the development of lateral epitaxial overgrowth approaches for defect reduction. Growth of AlN layers on patterned SiC substrates produced coalesced AlN films possessing TD densities below 8.3 x 106 cm -2 in the laterally grown wing regions, as compared to 1.8 x 109 cm-2 in the seed regions. These films, however, cracked on cooldown due to the difference in thermal expansion coefficients for AlN and SiC. To avoid this cracking, AlN layers were grown on patterned sapphire substrates. Although the films were able to be coalesced and contained few or no cracks, the TDs in these films were not confined to the seed regions. This produced a relatively uniform distribution of TDs over the surfaces of the films, with only a modest reduction in the TD density of 1 x 10 8 cm-2. Selective area growth of AlN was also pursued using Si3N4, SiO2, and Ti masks. Growth selectivity and film coalescence was observed for films grown on each masking material, but none of the

  2. Solid State NMR Studies of the Aluminum Hydride Phases

    NASA Technical Reports Server (NTRS)

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

    2006-01-01

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

  3. Regeneration of aluminum hydride

    DOEpatents

    Graetz, Jason Allan; Reilly, James J; Wegrzyn, James E

    2012-09-18

    The present invention provides methods and materials for the formation of hydrogen storage alanes, AlH.sub.x, where x is greater than 0 and less than or equal to 6 at reduced H.sub.2 pressures and temperatures. The methods rely upon reduction of the change in free energy of the reaction between aluminum and molecular H.sub.2. The change in free energy is reduced by lowering the entropy change during the reaction by providing aluminum in a state of high entropy, and by increasing the magnitude of the change in enthalpy of the reaction or combinations thereof.

  4. Regeneration of aluminum hydride

    DOEpatents

    Graetz, Jason Allan; Reilly, James J.

    2009-04-21

    The present invention provides methods and materials for the formation of hydrogen storage alanes, AlH.sub.x, where x is greater than 0 and less than or equal to 6 at reduced H.sub.2 pressures and temperatures. The methods rely upon reduction of the change in free energy of the reaction between aluminum and molecular H.sub.2. The change in free energy is reduced by lowering the entropy change during the reaction by providing aluminum in a state of high entropy, by increasing the magnitude of the change in enthalpy of the reaction or combinations thereof.

  5. Activated aluminum hydride hydrogen storage compositions and uses thereof

    DOEpatents

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

    2010-11-23

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

  6. Photoelectron spectroscopic study of carbon aluminum hydride cluster anions

    NASA Astrophysics Data System (ADS)

    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.

  7. Photoelectron spectroscopic study of carbon aluminum hydride cluster anions.

    PubMed

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

    2016-10-21

    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.

  8. Regeneration of Aluminum Hydride Using Trimethylamine

    SciTech Connect

    D Lacina; J Reilly; Y Celebi; J Wegrzyn; J Johnson; J Graetz

    2011-12-31

    Aluminum hydride is an attractive reducing agent and energy storage compound possessing a low decomposition temperature and a high gravimetric and volumetric hydrogen density. However, it is thermodynamically unstable at room temperature and requires extremely high pressures to form the hydride from aluminum and hydrogen gas. Here, we describe an alternate method of synthesizing AlH{sub 3} using Ti-catalyzed Al powder, H{sub 2}, and trimethylamine (TMA) to form an alane adduct. The formation of trimethylamine alane occurs at modest hydrogen pressures ({approx}100 bar), forming the 2:1 bis complex (2 trimethylamine/AlH{sub 3}). Along with the hydrogenation product, mono (1:1) and bis (2:1) standards of TMA-AlH{sub 3} were prepared and characterized using X-ray diffraction and Raman spectroscopy. X-ray absorption spectroscopy of the reaction products showed that the Ti catalyst remains with the unreacted Al powder after hydrogenation and is not present in the alane adduct. We also demonstrate that TMA can be transaminated with triethylamine to form triethylamine alane, which can easily be separated to recover AlH{sub 3}.

  9. Hydrogen storage in sodium aluminum hydride.

    SciTech Connect

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

    2005-11-01

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

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

    DTIC Science & Technology

    2016-01-04

    a solid with six crystalline phases. In principle, alane is a promising propellant . The specific impulse of an AP/HTPB propellant mixed with alane...Distribution approved for public release. 2     Introduction Boranes (boron hydrides) were once thought to be promising propellants .1-14 The reasons...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

  11. Synthesis and Hydrogen Desorption Properties of Aluminum Hydrides.

    PubMed

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

    2016-03-01

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

  12. Low-pressure Structural Modification of Aluminum Hydride

    DTIC Science & Technology

    2011-02-01

    pressure release. 15. SUBJECT TERMS High - pressure , Diamond anvil cell, aluminum hydride 16. SECURITY CLASSIFICATION OF...loaded into the diamond anvil cell using a specialized high - pressure gas loading system (18). The in-situ pressure within the diamond anvil cell was...Visible Absorption Study of AlH3. Journal of Physics: Conference Series 2010, 215, 012047. 18. Jayaraman, A. Diamond Anvil Cell and High -

  13. Pressure-induced hydrogen-dominant metallic state in aluminum hydride.

    PubMed

    Goncharenko, Igor; Eremets, M I; Hanfland, M; Tse, J S; Amboage, M; Yao, Y; Trojan, I A

    2008-02-01

    Two structural transitions in covalent aluminum hydride AlH3 were characterized at high pressure. A metallic phase stable above 100 GPa is found to have a remarkably simple cubic structure with shortest first-neighbor H-H distances ever measured except in H2 molecule. Although the high-pressure phase is predicted to be superconductive, this was not observed experimentally down to 4 K over the pressure range 120-164 GPa. The results indicate that the superconducting behavior may be more complex than anticipated.

  14. Studying aluminum hydride by means of thermal analysis

    NASA Astrophysics Data System (ADS)

    Milekhin, Yu. M.; Koptelov, A. A.; Matveev, A. A.; Baranets, Yu. N.; Bakulin, D. A.

    2015-07-01

    Chemical reactions and physical transformations that occur upon heating aluminum hydride (AlH3, alane), stored for 25 years, in the temperature range of 50-1200°C in an atmosphere of nitrogen, argon, and air are studied by means of thermogravimetric analysis and differential scanning calorimetry. The heat of thermal decomposition and the hydrogen content are determined for the AlH3 samples and are found to be 318 ± 25 J/g and 9.32 ± 0.24 wt %, respectively. It is established that the estimated enthalpy of formation of AlH3 in stoichiometric composition (Δf H ≈ -10.3 kJ/mol) agrees with the literature data. After the release of hydrogen, the mass of the precipitate increases by 0.5 ± 0.3%, relative to the initial mass of the AlH3 samples; the most likely reason for this effect is the adsorption of nitrogen (argon) in the micropores and mesopores that form. Thermal phenomena associated with the crystallization of the amorphous aluminum that forms after hydrogen is released from the alane particles are analyzed. It is established that the aluminum contained in initial AlH3 samples is almost completely transformed into aluminum nitride and oxide (AlN and Al3O3) upon heating to 1200°C in nitrogen and air, respectively.

  15. Wall pressure exerted by hydrogenation of sodium aluminum hydride.

    SciTech Connect

    Perras, Yon E.; Dedrick, Daniel E.; Zimmerman, Mark D.

    2009-06-01

    Wall pressure exerted by the bulk expansion of a sodium aluminum hydride bed was measured as a function of hydrogen content. A custom apparatus was designed and loaded with sodium alanates at densities of 1.0, 1.1, and 1.16 g/cc. Four complete cycles were performed to identify variations in measured pressure. Results indicated poor correlation between exerted pressure and hydrogen capacity of the sodium alanate beds. Mechanical pressure due to the hydrogenation of sodium alanates does not influence full-scale system designs as it falls within common design factors of safety. Gas pressure gradients within the porous solid were identified and may limit reaction rates, especially for high aspect ratio beds.

  16. Multi-scale characterization of nanostructured sodium aluminum hydride

    NASA Astrophysics Data System (ADS)

    NaraseGowda, Shathabish

    instruments were utilized for this work and their data collection and analysis are reported. Quasielastic neutron scattering experiments were conducted at NIST Center for Neutron Research to characterize atomic hydrogen diffusion in bulk and nano-confined NaAlH4. It was observed that upon confinement of NaAlH4, a significantly higher fraction of hydrogen atoms were involved in diffusive motion on the pico-second to nano-second timescales. However, the confinement had no impact on the lattice diffusivities (jump/hopping rates) of atomic hydrogen, indicating that the improved hydrogen release rates were not due to any kinetic destabilization effects. Instead, the investigation strongly suggested thermodynamic destabilization as the major effect of nano-confinement. The local interaction of the metal sites in metal organic frameworks with the infiltrated hydride was studied using extended x-ray absorption spectroscopy technique. The experiments were conducted at Center for Advanced Microstructures and Devices at Louisiana State University. The metal sites were found to be chemically un-altered, hence ruling out any catalytic role in the dehydrogenation at room temperatures. The fractal morphology of NaAlH4 was characterized by ultra-small angle x-ray scattering experiments performed at Argonne National Lab. The studies quantitatively estimated the extent of densification in the course of one desorption cycle. The particle sizes were found to increase two-fold during heat treatment. Also, the nano-confinement procedure was shown to produce dense mass fractals as opposed to pristine NaAlH4, exhibiting a surface fractal morphology. Based on this finding, a new method to identify confined material from un-confined material in nano-composites was developed and is presented. Preliminary results of modeling and correlating multi-scale phenomena using a phase-field approach are also presented as the foundation for future work.

  17. Gas-phase acidities of binary hydrides.

    NASA Technical Reports Server (NTRS)

    Brauman, J. I.; Eyler, J. R.; Blair, L. K.; White, M. J.; Comisarow, M. B.; Smyth, K. C.

    1971-01-01

    The preferred direction of proton transfer in a reaction between a hydride molecule and a hydride ion was studied in order to determine the relative acidities of some binary hydrides. Sufficient data are presented to make clear the periodic trends in acidities and the underlying trends in other fundamental thermochemical quantities which influence acidity. The bond dissociation energies and electron affinities of the hydrides considered are listed in a table.

  18. ALUMINUM HYDRIDE, A1H3, AS A HYDROGEN STORAGE COMPOUND.

    SciTech Connect

    GRAETZ, J.; REILLY, J.; SANDROCK, G.; JOHNSON, J.; ZHOU, W.M.; WEGRZYN, J.

    2006-11-27

    Aluminum hydride is a covalent, binary hydride that has been known for more than 60 years and is an attractive medium for on-board automotive hydrogen storage, since it contains 10.1% by wt. hydrogen with a density of 1.48 g/ml. There are at least 7 non-solvated AlH{sub 3} phases, namely {alpha}, {alpha}{prime}, {beta}, {gamma}, {var_epsilon} and {zeta}. The properties of {alpha}-AlH{sub 3}, obtained from the Dow Chemical Co. in 1980, have been previously reported. Here we present a description of the thermodynamic and kinetic properties of freshly prepared {alpha}, {beta} and {gamma} phases of AlH{sub 3}. In all cases the decomposition kinetics are appreciable below 100 C and all will meet the DOE 2010 gravimetric and volumetric vehicular system targets (6 wt% H{sub 2} and 0.045 kg/L). However, further research will be required to develop an efficient and economical process to regenerate AlH{sub 3} from the spent Al powder.

  19. Transmission Electron Microscopy Studies on Titanium-doped Sodium Aluminum Hydride

    NASA Astrophysics Data System (ADS)

    Culnane, Lance F.

    Hydrogen fuel cells play an important role in today's diverse and blossoming alternative energy industry. One of the greatest technological barriers for vehicular applications is the storage of hydrogen (which is required to power hydrogen fuel cells). Storing hydrogen as a gas is not volume efficient, and storing it as a liquid is not cost effective, therefore solid-state storage of hydrogen, such as in metal hydrides offers the most potential for success since many metal hydrides have attractive qualities for hydrogen storage such as: high volumetric capacity, cost efficiency, weight efficiency, low refueling times, and most importantly, high safety. Unfortunately, a compound has not been discovered which contains all of the attractive hydrogen storage qualities for vehicular applications. Sodium aluminum hydride (NaAlH 4) is one of the few compounds which is close to meeting requirements for car manufacturers, and has perhaps been researched the most extensively out of all metal hydrides in the last 15 years. This arises from the remarkable discovery by Bogdanovic who found that doping NaAlH4 with Ti dopants enabled the reversible dehydrogenation and hydrogenation of NaAlH 4 at mild conditions. Various evidence and theories have been proposed to suggest explanations for the enhanced kinetic effect that Ti-doping and ball-milling provide. However, the research community has not reached a consensus as to the exact role of Ti-dopants. If the role of titanium in the NaAlH4 dehydrogenation/hydrogenation mechanism could be understood, then more attractive metal hydrides could be designed. To this end, we conducted Transmission Electron Microscopy (TEM) studies to explain the role of the Ti dopants. The first known thorough particle size analysis of the NaAlH4 system was conducted, as well as TEM-EELS (Electron Energy Loss Spectroscopy), TEM-EDS (Energy Dispersive X-ray Spectroscopy), and in-situ imaging studies. Preparation methods were found to be important for the

  20. Hydride phase formation in carbon supported palladium hydride nanoparticles by in situ EXAFS and XRD

    NASA Astrophysics Data System (ADS)

    Bugaev, A. L.; Guda, A. A.; Lomachenko, K. A.; Lazzarini, A.; Srabionyan, V. V.; Vitillo, J. G.; Piovano, A.; Groppo, E.; Bugaev, L. A.; Soldatov, A. V.; Dmitriev, V. P.; Pellegrini, R.; van Bokhoven, J. A.; Lamberti, C.

    2016-05-01

    In the current work we present a detailed analysis of the hydride phase formation in industrial Pd/C nanocatalysts by means of combined in situ X-ray absorption spectroscopy (EXAFS), X-ray diffraction (XRD) and volumetric measurements for the temperatures from - 10 to 50 °C in the hydrogen pressure range from 0 to 1000 mbar. α- and β- hydride phases are clearly distinguished in XRD. For the first time, H/Pd atomic ratio were obtained by theoretical fitting of the near-edge region of the absorption spectra (XANES) and compared with volumetric measurements.

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

    SciTech Connect

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

    2009-01-09

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

  2. ALUMINUM HYDRIDE: A REVERSIBLE MATERIAL FOR HYDROGEN STORAGE

    SciTech Connect

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

    2009-01-09

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

  3. ALUMINUM HYDRIDE: A REVERSIBLE MATERIAL FOR HYDROGEN STORAGE

    SciTech Connect

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

    2008-12-31

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

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

    SciTech Connect

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

    2013-08-20

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

  5. Hydride vapor phase epitaxy of AlN using a high temperature hot-wall reactor

    NASA Astrophysics Data System (ADS)

    Baker, Troy; Mayo, Ashley; Veisi, Zeinab; Lu, Peng; Schmitt, Jason

    2014-10-01

    Aluminum nitride (AlN) was grown on c-plane sapphire substrates by hydride vapor phase epitaxy (HVPE). The experiments utilized a two zone inductively heated hot-wall reactor. The surface morphology, crystal quality, and growth rate were investigated as a function of growth temperature in the range of 1450-1575 °C. AlN templates grown to a thickness of 1 μm were optimized with double axis X-ray diffraction (XRD) rocking curve full width half maximums (FWHMs) of 135″ for the (002) and 513″ for the (102).

  6. Non-Chromate Aluminum Pretreatments, Phase 2

    DTIC Science & Technology

    2004-09-01

    September 2004 78 ALUMINUM AL2024-T3 ALUMINUM AL7075 -T6 PNL ID 4 Control 5...ALUMINUM - AL2024-T3 192 ALUMINUM - AL7075 -T6 112 Table 5.13: AMCOM – NAVAIR PANEL TEST MATRIX OCTOBER 2003 NCAP Phase II Interim Report

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

    PubMed

    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.

  8. Reversible metal-hydride phase transformation in epitaxial films

    NASA Astrophysics Data System (ADS)

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

    2015-03-01

    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.

  9. Transition-metal-doped aluminum hydrides as building blocks for supramolecular assemblies.

    PubMed

    Liu, Jianjun; Yu, Jiamei; Ge, Qingfeng

    2010-11-25

    Density functional theory calculations were carried out to characterize a series of transition-metal-doped aluminum hydrides, forming TMAl(n)H(2n) and TMAl(n)H(2n+1) (TM = Sc, Ti, V; n = 3,4), in either charged or neutral form. A new electron-counting rule for these clusters was formulated as PSEN (paired skeleton electron number) = 4n, which can characterize both closed-shell and open-shell clusters. On the basis of this electron-counting rule, the superatomic clusters such as TiAl(4)H(9) and TiAl(3)H(6) were identified and can be used to assemble supramolecular structures. Electronic structure analysis showed that three-centered TM-H-Al bonds largely contributed to the structural stability. Also, the spin state of a wide range of clusters in their ground state can be predicted by the electron-counting rule.

  10. Modeling of Gallium Nitride Hydride Vapor Phase Epitaxy

    NASA Technical Reports Server (NTRS)

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

    1997-01-01

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

  11. High-pressure phase transition observed in barium hydride

    NASA Astrophysics Data System (ADS)

    Smith, Jesse S.; Desgreniers, Serge; Tse, John S.; Klug, Dennis D.

    2007-08-01

    The pressure-dependent structural and vibrational properties of barium hydride have been studied up to 22 GPa at room temperature by means of powder x-ray diffraction, Raman spectroscopy, and first-principles calculations. At ambient conditions, BaH2 crystallizes in the cotunnite structure (Pnma). A reversible, first-order structural phase transition is observed at 1.6 GPa. The high-pressure phase can be indexed by a hexagonal unit cell with a proposed Ni2In structure (P63/mmc), with the Ba and H atoms in special positions. The experimental volume compression of the high-pressure phase yields an isothermal bulk modulus B0=24(1) GPa (B0' fixed at 4.13). This compares favorably with the results of the first-principles calculations, which reproduce the first-order nature of the transition. The relevance of these results is discussed in the contexts of metal hydrides in particular and ionic AX2(A =metal) compounds in general.

  12. Spontaneous formation of GaN/AlN core-shell nanowires on sapphire by hydride vapor phase epitaxy

    NASA Astrophysics Data System (ADS)

    Trassoudaine, Agnès; Roche, Elissa; Bougerol, Catherine; André, Yamina; Avit, Geoffrey; Monier, Guillaume; Ramdani, Mohammed Réda; Gil, Evelyne; Castelluci, Dominique; Dubrovskii, Vladimir G.

    2016-11-01

    Spontaneous GaN/AlN core-shell nanowires with high crystal quality were synthesized on sapphire substrates by vapor-liquid-solid hydride vapor phase epitaxy (VLS-HVPE) without any voluntary aluminum source. Deposition of aluminum is difficult to achieve in this growth technique which uses metal-chloride gaseous precursors: the strong interaction between the AlCl gaseous molecules and the quartz reactor yields a huge parasitic nucleation on the walls of the reactor upstream the substrate. We open up an innovative method to produce GaN/AlN structures by HVPE, thanks to aluminum etching from the sapphire substrate followed by redeposition onto the sidewalls of the GaN core. The paper presents the structural characterization of GaN/AlN core-shell nanowires, speculates on the growth mechanism and discusses a model which describes this unexpected behavior.

  13. Hydriding process

    DOEpatents

    Raymond, J.W.; Taketani, H.

    1973-12-01

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

  14. Crystal structure of the superconducting phase of sulfur hydride

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

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

  15. On the thermodynamics of phase transitions in metal hydrides

    NASA Astrophysics Data System (ADS)

    Vita, Andrea

    2012-02-01

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

  16. On the thermodynamics of phase transitions in metal hydrides

    NASA Astrophysics Data System (ADS)

    di Vita, Andrea

    2012-02-01

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

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

    SciTech Connect

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

    2010-01-01

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

  18. Electronic structure and crystal phase stability of palladium hydrides

    SciTech Connect

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

    2014-11-07

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

  19. Electronic structure and crystal phase stability of palladium hydrides

    NASA Astrophysics Data System (ADS)

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

    2014-11-01

    The results of electronic structure calculations for a variety of palladium hydrides are presented. The calculations are based on density functional theory and used different local and semilocal approximations. The thermodynamic stability of all structures as well as the electronic and chemical bonding properties are addressed. For the monohydride, taking into account the zero-point energy is important to identify the octahedral Pd-H arrangement with its larger voids and, hence, softer hydrogen vibrational modes as favorable over the tetrahedral arrangement as found in the zincblende and wurtzite structures. Stabilization of the rocksalt structure is due to strong bonding of the 4d and 1s orbitals, which form a characteristic split-off band separated from the main d-band group. Increased filling of the formerly pure d states of the metal causes strong reduction of the density of states at the Fermi energy, which undermines possible long-range ferromagnetic order otherwise favored by strong magnetovolume effects. For the dihydride, octahedral Pd-H arrangement as realized, e.g., in the pyrite structure turns out to be unstable against tetrahedral arrangement as found in the fluorite structure. Yet, from both heat of formation and chemical bonding considerations, the dihydride turns out to be less favorable than the monohydride. Finally, the vacancy ordered defect phase Pd3H4 follows the general trend of favoring the octahedral arrangement of the rocksalt structure for Pd:H ratios less or equal to one.

  20. Lightweight hydride storage materials

    SciTech Connect

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

    1995-09-01

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

  1. Doped Sodium Aluminum Hydride: Fundamental Studies and Practical Development of a Promising New Hydrogen Storage Material

    NASA Astrophysics Data System (ADS)

    Jensen, Craig

    2004-03-01

    In 1997, Bogdanovic and Schwickardi reported that the elimination of hydrogen from solid NaAlH4 is markedly accelerated and rendered reversible under moderate conditions upon mixing the hydride with a few mole percent of selected transition metal complexes. We found that doping the hydride through an alternative, mechanical milling method leads to considerable improvements in the practical hydrogen cycling performance of the hydride. It now appears that a variation of the doped hydride could possibly be developed as a viable means for the onboard storage of hydrogen. However, no dopant precursors have been found that give a greater kinetic enhancement than those cataloged in Bogdanovic's original, 1995 patent. Similarly, only the sodium and mixed sodium, lithium salts of the alanates have been found undergo largely reversible dehydrogenation under moderate conditions upon doping. This lack of progress is surprising in view of the recent "gold rush" flurry of activity that has been direct towards the development of alanates as practical onboard hydrogen carriers. Clearly, these efforts have been handicapped by a lack of understanding of the nature and mechanism of action the dopants. We have therefore initiated efforts to elucidate the fundamental basis of the remarkable hydrogen storage properties of this material. Our efforts have pointed to a model of the material in which the dopants are substituted into the bulk hydride lattice. A detailed version of this model has emerged from our recent infra red, Raman, and electron paramagnetic resonance spectroscopic studies as well as neutron diffraction, inelastic neutron scattering, and kinetic investigations of the doped hydride. The results of these studies will be presented and discussed in terms of their relationship to our "substitutional" model of the doped hydride.

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

    DOEpatents

    Pecharsky, Vitalij K.; Balema, Viktor P.

    2004-08-10

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

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

    PubMed Central

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

    2015-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

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

  5. Analysis of polar peptides using a silica hydride column and high aqueous content mobile phases.

    PubMed

    Yang, Yuanzhong; Boysen, Reinhard I; Kulsing, Chadin; Matyska, Maria T; Pesek, Joseph J; Hearn, Milton T W

    2013-09-01

    The retention behavior of a set of polar peptides separated on a silica hydride stationary phase was examined with a capillary HPLC system coupled to ESI-MS detection. The mobile phases consisted of formic acid or acetic acid/acetonitrile/water mixtures with the acetonitrile content ranging from 5 to 80% v/v. The effects on peptide retention of these two acidic buffer additives and their concentrations in the mobile phase were systematically investigated. Strong retention of the peptides on the silica hydride phase was observed with relatively high-organic low-aqueous mobile phases (i.e. under aqueous normal-phase conditions). However, when low concentrations of acetic acid were employed as the buffer additive, strong retention of the peptides was also observed even when high aqueous content mobile phases were employed. This unique feature of the stationary phase therefore provides an opportunity for chromatographic analysis of polar peptides with water-rich eluents, a feature usually not feasible with traditional RP sorbents, and thus under conditions more compatible with analytical green chemistry criteria. In addition, both isocratic and gradient elution procedures can be employed to optimize peptide separations with excellent reproducibility and resolution under these high aqueous mobile phase conditions with this silica hydride stationary phase.

  6. GAS-PHASE REACTIONS OF HYDRIDE ANION, H{sup -}

    SciTech Connect

    Martinez, Oscar; Yang Zhibo; Demarais, Nicholas J.; Bierbaum, Veronica M.; Snow, Theodore P. E-mail: Zhibo.Yang@colorado.ed E-mail: Veronica.Bierbaum@colorado.ed

    2010-09-01

    Rate constants were measured at 300 K for the reactions of the hydride anion, H{sup -}, with neutral molecules C{sub 2}H{sub 2}, H{sub 2}O, CH{sub 3}CN, CH{sub 3}OH, (CH{sub 3}){sub 2}CO, CH{sub 3}CHO, N{sub 2}O, CO{sub 2}, O{sub 2}, CO, CH{sub 3}Cl, (CH{sub 3}){sub 3}CCl, (CH{sub 3}CH{sub 2}){sub 2}O, C{sub 6}H{sub 6}, and D{sub 2} using a flowing-afterglow instrument. Experimental work was supplemented by ab initio calculations to provide insight into the viability of reaction pathways. Our reported rate constants should prove useful to models of astrophysical environments where conditions prevail for the existence of both H{sup -} and neutral species. The variety of neutral reactants studied includes representative species from prototypical chemical groups, effectively mapping reactivity trends for the hydride anion.

  7. Spray Forming Aluminum - Final Report (Phase II)

    SciTech Connect

    D. D. Leon

    1999-07-08

    The U.S. Department of Energy - Office of Industrial Technology (DOE) has an objective to increase energy efficient and enhance competitiveness of American metals industries. To support this objective, ALCOA Inc. entered into a cooperative program to develop spray forming technology for aluminum. This Phase II of the DOE Spray Forming Program would translate bench scale spray forming technology into a cost effective world class process for commercialization. Developments under DOE Cooperative Agreement No. DE-FC07-94ID13238 occurred during two time periods due to budgetary constraints; April 1994 through September 1996 and October 1997 and December 1998. During these periods, ALCOA Inc developed a linear spray forming nozzle and specific support processes capable of scale-up for commercial production of aluminum sheet alloy products. Emphasis was given to alloys 3003 and 6111, both being commercially significant alloys used in the automotive industry. The report reviews research performed in the following areas: Nozzel Development, Fabrication, Deposition, Metal Characterization, Computer Simulation and Economics. With the formation of a Holding Company, all intellectual property developed in Phases I and II of the Project have been documented under separate cover for licensing to domestic producers.

  8. Hydride phase dissolution enthalpy in neutron irradiated Zircaloy-4

    NASA Astrophysics Data System (ADS)

    Vizcaíno, P.; Banchik, A. D.; Abriata, J. P.

    2005-01-01

    The differential calorimetric technique has been applied to measure the dissolution enthalpy, ΔHδ→αirrad, of zirconium hydrides precipitated in structural components removed from the Argentine Atucha 1 PHWR nuclear power plant after 10.3 EFPY. An average value of ΔHδ→αirrad=5 kJ/mol H was obtained after the first calorimetric run. That value is seven times lower than the value of Δ Hδ→α = 37.7 kJ/mol H recently determined in Zircaloy-4 specimens taken from similar unirradiated structural components using the same calorimetric technique [P. Vizcaı´no, PhD thesis, Number TD-11/03, Inst. Tech. 'Prof. Jorge A. Sábato', CICAC, CNEA, Buenos Aires, Argentina, 24 June 2003]. Post-irradiation thermal treatments gradually increase that low value towards the unirradiated value with increasing annealing temperature similar to that observed for TSSd irrad [P. Vizcaı´no, A.D. Banchik, J.P. Abriata. J. Nucl. Mater. 304/2-3 (2002) 96-106]. Therefore the same H atom trapping mechanism during reactor operation already proposed to explain the evolution of TSSd irrad is also valid for Qδ→αirrad. As the ratio Q/Δ H is proportional to the number NH of H atoms precipitated as hydrides, the increment of Qδ→αirrad with the thermal treatment indicates that the value of NH also grows with the annealing reaching the value corresponding to the bulk H concentration when ΔHδ→αirrad≈37 kJ/mol H. That is a direct indication that the post-irradiation thermal treatment releases the H atoms from their traps increasing the number of H atoms available to precipitate at the end of each calorimetric run and/or isothermal treatment.

  9. Strontium vanadium oxide-hydrides: "square-planar" two-electron phases.

    PubMed

    Denis Romero, Fabio; Leach, Alice; Möller, Johannes S; Foronda, Francesca; Blundell, Stephen J; Hayward, Michael A

    2014-07-14

    A series of strontium vanadium oxide-hydride phases prepared by utilizing a low-temperature synthesis strategy in which oxide ions in Sr(n+1)V(n)O(3n+1) (n=∞, 1, 2) phases are topochemically replaced by hydride ions to form SrVO2H, Sr2VO3H, and Sr3V2O5H2, respectively. These new phases contain sheets or chains of apex-linked V(3+)O4 squares stacked with SrH layers/chains, such that the n=∞ member, SrVO2H, can be considered to be analogous to "infinite-layer" phases, such as Sr(1-x)Ca(x)CuO2 (the parent phase of the high-T(c) cuprate superconductors), but with a d(2) electron count. All three oxide-hydride phases exhibit strong antiferromagnetic coupling, with SrVO2H exhibiting an antiferromagnetic ordering temperature, T(N)>300 K. The strong antiferromagnetic couplings are surprising given they appear to arise from π-type magnetic exchange.

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

    PubMed

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

    2011-04-15

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

  11. Possible "Magnéli" Phases and Self-Alloying in the Superconducting Sulfur Hydride

    NASA Astrophysics Data System (ADS)

    Akashi, Ryosuke; Sano, Wataru; Arita, Ryotaro; Tsuneyuki, Shinji

    2016-08-01

    We theoretically give an infinite number of metastable crystal structures for the superconducting sulfur hydride HxS under pressure. Previously predicted crystalline phases of H2S and H3S have been thought to have important roles for experimentally observed low and high Tc, respectively. The newly found structures are long-period modulated crystals where slablike H2S and H3S regions intergrow on a microscopic scale. The extremely small formation enthalpy for the H2S -H3S boundary indicated by first-principles calculations suggests possible alloying of these phases through the formation of local H3S regions. The modulated structures and gradual alloying transformations between them not only explain the peculiar pressure dependence of Tc in sulfur hydride observed experimentally, but also could prevail in the experimental samples under various compression schemes.

  12. CHARACTERIZATION OF THE LOCAL TITANIUM ENVIRONMENT IN DOPED SODIUM ALUMINUM HYDRIDE USING X-RAY ADSORPTION SPECTROSCOPY.

    SciTech Connect

    GRAETZ, J.; IGNATOV, A. YU; TYSON, T.A.; REILLY, J.J.; JOHNSON, J.

    2004-11-30

    Ti K-edge x-ray absorption spectroscopy was used to explore the local titanium environment and valence in 2-4 mol% Ti-doped sodium alanate. An estimate of the oxidation state of the dopant, based upon known standards, revealed a zero-valent titanium atom. An analysis of the near-edge and extended fine structures indicates that the Ti does not enter substitutional or interstitial sites in the NaAlH{sub 4} lattice. Rather, the Ti is located on/near the surface and is coordinated by 10.2 {+-} 1 aluminum atoms with an interatomic distance of 2.82 {+-} 0.01 {angstrom}, similar to that of TiAl{sub 3}. The Fourier transformed EXAFS spectra reveals a lack of long-range order around the Ti dopant indicating that the Ti forms nano-clusters of TiAl{sub 3}. The similarity of the spectra in the hydrided and dehydrided samples suggests that the local Ti environment is nearly invariant during hydrogen cycling.

  13. The Zr20Nb-H phase diagram and the characterisation of hydrides in β-Zr

    NASA Astrophysics Data System (ADS)

    Barrow, L.; Barrow, A. T. W.; Almer, J.; Daymond, M. R.

    2013-11-01

    In this work a combination of synchrotron X-ray diffraction, transmission electron microscopy and differential scanning calorimetry have been used to characterise the Zr20Nb-H phase diagram and hydrides in β-Zr. A single hydride phase, termed γ' was found to be present in β-Zr over a wide range of H concentrations up to 1559 wppm. γ'-hydride had an orthorhombic crystal structure with the composition ZrH0.4 ± 0.2, and was found to be stable during heating to 450 °C; it can therefore be considered the equilibrium hydride in β-Zr. Accompanying hydride nucleation is a volumetric strain of 10.4% that is accommodated elastically and plastically by the β-Zr. The body-centre cubic to orthorhombic martensitic transformation is analogous to the Au-Cd system where the basal plane in the hydride is constructed from the (0 1 1)β to give the Bain correspondence. There are strong similarities between the Zr20Nb-H and Nb-H phase diagrams with the former having a lower solubility for H at room temperature, ˜130 wppm and ˜290 wppm respectively. The room temperature solubility difference between body-centre cubic Nb and β-Zr can be attributed to their electron configurations and the reduction in energy associated with the metallic Zr/Nb-H bonding. The hydrides were found to have a plate morphology and consisted of sub-platelets analogous to δ-hydride in α-Zr. The hydride had an orthorhombic crystal structure and the (0‖(0,[0‖[0 and [1‖[ orientation relationship with the β-Zr matrix, consistent with the Au-Cd system. gamma;'-hydride formation was accompanied by a volumetric strain of 10.4% that is accommodated elastically and plastically in the matrix. Sympathetic hydride nucleation occurs in the elastic strain field of the parent hydride. In all instances the long axis of the hydride was consistent with the <0 1 1>β. beta;-Zr has a H solubility of 128 ± 5 wppm at room temperature and considerably higher than α-Zr. The solubility difference between the BCC and

  14. Phase separation of lanthanum hydride under high pressure

    NASA Astrophysics Data System (ADS)

    Machida, A.; Watanuki, T.; Kawana, D.; Aoki, K.

    2011-02-01

    Structural change of lanthanum dihydride LaH2.3, which has a face-centered-cubic (fcc) metal lattice with tetrahedral interstitial sites fully occupied with hydrogen atoms and partially occupied octahedral sites, has been investigated at high pressures up to 20 GPa at ambient temperature by synchrotron radiation x-ray diffraction. Additional Bragg reflections appear just on higher angle sides of the original ones at ~11 GPa and their peak intensities increase gradually on further compression. The coexistence state of two fcc metal lattices thus observed above 11 GPa is interpreted in terms of phase separation or disproportionation reaction from the dihydride toward a solid solution and trihydride states, in both of which the octahedral interstitial sites are partially occupied with hydrogen atoms. A gradual distortion from the cubic to a tetragonal lattice is observed prior to the phase separation. The coexistence phase goes back to the dihydride fcc phase via the lattice distorted phase with decreasing pressure.

  15. An Aluminum Hydride That Functions like a Transition-Metal Catalyst.

    PubMed

    Yang, Zhi; Zhong, Mingdong; Ma, Xiaoli; De, Susmita; Anusha, Chakkittakandiyil; Parameswaran, Pattiyil; Roesky, Herbert W

    2015-08-24

    The reaction of [LAlH2 ] (L=HC(CMeNAr)2 , Ar=2,6-iPr2 C6 H3 ) with MeOTf (Tf=SO2 CF3 ) resulted in the formation of [LAlH(OTf)] (1) in high yield. The triflate substituent in 1 increases the positive charge at the aluminum center, which implies that 1 has a strong Lewis acidic character. The excellent catalytic activity of 1 for the hydroboration of organic compounds with carbonyl groups was investigated. Furthermore, it was shown that 1 effectively initiates the addition reaction of trimethylsilyl cyanide (TMSCN) to both aldehydes and ketones. Quantum mechanical calculations were carried out to explore the reaction mechanism.

  16. Multiphysics phase field modeling of hydrogen diffusion and delta-hydride precipitation in alpha-zirconium

    NASA Astrophysics Data System (ADS)

    Jokisaari, Andrea M.

    Hydride precipitation in zirconium is a significant factor limiting the lifetime of nuclear fuel cladding, because hydride microstructures play a key role in the degradation of fuel cladding. However, the behavior of hydrogen in zirconium has typically been modeled using mean field approaches, which do not consider microstructural evolution. This thesis describes a quantitative microstructural evolution model for the alpha-zirconium/delta-hydride system and the associated numerical methods and algorithms that were developed. The multiphysics, phase field-based model incorporates CALPHAD free energy descriptions, linear elastic solid mechanics, and classical nucleation theory. A flexible simulation software implementing the model, Hyrax, is built on the Multiphysics Object Oriented Simulation Environment (MOOSE) finite element framework. Hyrax is open-source and freely available; moreover, the numerical methods and algorithms that have been developed are generalizable to other systems. The algorithms are described in detail, and verification studies for each are discussed. In addition, analyses of the sensitivity of the simulation results to the choice of numerical parameters are presented. For example, threshold values for the CALPHAD free energy algorithm and the use of mesh and time adaptivity when employing the nucleation algorithm are studied. Furthermore, preliminary insights into the nucleation behavior of delta-hydrides are described. These include a) the sensitivities of the nucleation rate to temperature, interfacial energy, composition and elastic energy, b) the spatial variation of the nucleation rate around a single precipitate, and c) the effect of interfacial energy and nucleation rate on the precipitate microstructure. Finally, several avenues for future work are discussed. Topics encompass the terminal solid solubility hysteresis of hydrogen in zirconium and the effects of the alpha/delta interfacial energy, as well as thermodiffusion, plasticity

  17. Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure

    NASA Astrophysics Data System (ADS)

    Flores-Livas, José A.; Amsler, Maximilian; Heil, Christoph; Sanna, Antonio; Boeri, Lilia; Profeta, Gianni; Wolverton, Chris; Goedecker, Stefan; Gross, E. K. U.

    2016-01-01

    Hydrogen-rich compounds have been extensively studied both theoretically and experimentally in the quest for novel high-temperature superconductors. Reports on sulfur hydride attaining metallicity under pressure and exhibiting superconductivity at temperatures as high as 200 K have spurred an intense search for room-temperature superconductors in hydride materials. Recently, compressed phosphine was reported to metallize at pressures above 45 GPa, reaching a superconducting transition temperature (TC) of 100 K at 200 GPa. However, neither the exact composition nor the crystal structure of the superconducting phase have been conclusively determined. In this work, the phase diagram of PHn (n =1 ,2 ,3 ,4 ,5 ,6 ) was extensively explored by means of ab initio crystal structure predictions using the minima hopping method (MHM). The results do not support the existence of thermodynamically stable PHn compounds, which exhibit a tendency for elemental decomposition at high pressure even when vibrational contributions to the free energies are taken into account. Although the lowest energy phases of PH1 ,2 ,3 display TC's comparable to experiments, it remains uncertain if the measured values of TC can be fully attributed to a phase-pure compound of PHn.

  18. Verification and Validation Strategy for Implementation of Hybrid Potts-Phase Field Hydride Modeling Capability in MBM

    SciTech Connect

    Jason D. Hales; Veena Tikare

    2014-04-01

    The Used Fuel Disposition (UFD) program has initiated a project to develop a hydride formation modeling tool using a hybrid Potts­phase field approach. The Potts model is incorporated in the SPPARKS code from Sandia National Laboratories. The phase field model is provided through MARMOT from Idaho National Laboratory.

  19. Metal hydride/chemical heat-pump development project. Phase I. Final report

    SciTech Connect

    Argabright, T.A.

    1982-02-01

    The metal hydride/chemical heat pump (MHHP) is a chemical heat pump containing two hydrides for the storage and/or recovery of thermal energy. It utilizes the heat of reaction of hydrogen with specific metal alloys. The MHHP design can be tailored to provide heating and/or cooling or temperature upgrading over a wide range of input and ambient temperatures. The system can thus be used with a variety of heat sources including waste heat, solar energy or a fossil fuel. The conceptual design of the MHHP was developed. A national market survey including a study of applications and market sectors was conducted. The technical tasks including conceptual development, thermal and mechanical design, laboratory verification of design and material performance, cost analysis and the detailed design of the Engineering Development Test Unit (EDTU) were performed. As a result of the market study, the temperature upgrade cycle of the MHHP was chosen for development. Operating temperature ranges for the upgrader were selected to be from 70 to 110/sup 0/C (160 to 230/sup 0/F) for the source heat and 140 to 190/sup 0/C (280 to 375/sup 0/F) for the product heat. These ranges are applicable to many processes in industries such as food, textile, paper and pulp, and chemical. The hydride pair well suited for these temperatures is LaNi/sub 5//LaNi/sub 4/ /sub 5/Al/sub 0/ /sub 5/. The EDTU was designed for the upgrade cycle. It is a compact finned tube arrangement enclosed in a pressure vessel. This design incorporates high heat transfer and low thermal mass in a system which maximizes the coefficient of performance (COP). It will be constructed in Phase II. Continuation of this effort is recommended.

  20. Lattice dynamics and phase diagram of aluminum at high temperatures

    SciTech Connect

    Kudasov, Yu. B. Surdin, O. M.; Korshunov, A. S.; Pavlov, V. N.; Frolova, N. V.; Kuzin, R. S.

    2013-10-15

    The dispersion of phonons in the fcc, hcp, and bcc phases of aluminum is calculated at ultrahigh pressures by the method of small displacements in a supercell. The stability of the phonon subsystem is studied. The thermodynamic characteristics are calculated in the quasi-harmonic approximation, and a phase diagram of aluminum is plotted. As compared to the Debye model, the use of a phonon spectrum calculated in the quasi-harmonic approximation significantly broadens the hcp phase field and strongly shifts the phase boundary between the fcc and bcc phases. The normal isentrope is calculated at megabar pressures. It is shown to intersect the fcc-hcp and hcp-bcc phase boundaries. The sound velocity along the normal isentrope is calculated. It is shown to have a nonmonotonic character.

  1. Lattice dynamics and phase diagram of aluminum at high temperatures

    NASA Astrophysics Data System (ADS)

    Kudasov, Yu. B.; Surdin, O. M.; Korshunov, A. S.; Pavlov, V. N.; Frolova, N. V.; Kuzin, R. S.

    2013-10-01

    The dispersion of phonons in the fcc, hcp, and bcc phases of aluminum is calculated at ultrahigh pressures by the method of small displacements in a supercell. The stability of the phonon subsystem is studied. The thermodynamic characteristics are calculated in the quasi-harmonic approximation, and a phase diagram of aluminum is plotted. As compared to the Debye model, the use of a phonon spectrum calculated in the quasi-harmonic approximation significantly broadens the hcp phase field and strongly shifts the phase boundary between the fcc and bcc phases. The normal isentrope is calculated at megabar pressures. It is shown to intersect the fcc-hcp and hcp-bcc phase boundaries. The sound velocity along the normal isentrope is calculated. It is shown to have a nonmonotonic character.

  2. Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

    PubMed Central

    Ulvestad, A.; Welland, M. J.; Collins, S. S. E.; Harder, R.; Maxey, E.; Wingert, J.; Singer, A.; Hy, S.; Mulvaney, P.; Zapol, P.; Shpyrko, O. G.

    2015-01-01

    Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surface layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. Our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments. PMID:26655832

  3. Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

    DOE PAGES

    Ulvestad, A.; Welland, M. J.; Collins, S. S. E.; ...

    2015-12-11

    Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/ discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surfacemore » layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. In conclusion, our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments.« less

  4. Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

    SciTech Connect

    Ulvestad, A.; Welland, M. J.; Collins, S. S. E.; Harder, R.; Maxey, E.; Wingert, J.; Singer, A.; Hy, S.; Mulvaney, P.; Zapol, P.; Shpyrko, O. G.

    2015-12-11

    Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/ discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surface layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. In conclusion, our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments.

  5. Uncovering the intrinsic size dependence of hydriding phase transformations in nanocrystals.

    PubMed

    Bardhan, Rizia; Hedges, Lester O; Pint, Cary L; Javey, Ali; Whitelam, Stephen; Urban, Jeffrey J

    2013-10-01

    A quantitative understanding of nanocrystal phase transformations would enable more efficient energy conversion and catalysis, but has been hindered by difficulties in directly monitoring well-characterized nanoscale systems in reactive environments. We present a new in situ luminescence-based probe enabling direct quantification of nanocrystal phase transformations, applied here to the hydriding transformation of palladium nanocrystals. Our approach reveals the intrinsic kinetics and thermodynamics of nanocrystal phase transformations, eliminating complications of substrate strain, ligand effects and external signal transducers. Clear size-dependent trends emerge in nanocrystals long accepted to be bulk-like in behaviour. Statistical mechanical simulations show these trends to be a consequence of nanoconfinement of a thermally driven, first-order phase transition: near the phase boundary, critical nuclei of the new phase are comparable in size to the nanocrystal itself. Transformation rates are then unavoidably governed by nanocrystal dimensions. Our results provide a general framework for understanding how nanoconfinement fundamentally impacts broad classes of thermally driven solid-state phase transformations relevant to hydrogen storage, catalysis, batteries and fuel cells.

  6. CRADA (AL-C-2009-02) Final Report: Phase I. Lanthanum-based Start Materials for Hydride Batteries

    SciTech Connect

    Gschneidner, Jr., Karl; Schmidt, Frederick; Frerichs, A. E.; Ament, Katherine A.

    2013-05-01

    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 (La{sub 1-x}R{sub x})(Ni{sub 1-y}M{sub y})(Si{sub z}), 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.

  7. Ab initio study of H and He migrations in β-phase Sc, Y, and Er hydrides

    SciTech Connect

    Chen, Ru-Cheng; Yang, Li; Dai, Yunya; Zhu, Zi Qiang; Peng, SM; Long, XG; Gao, Fei; Zu, Xiaotao

    2012-05-01

    Ab initio calculations based on the density functional theory have been performed to investigate the migrations of hydrogen (H) and helium (He) atoms in {beta}-phase scandium (Sc), yttrium (Y), and erbium (Er) hydrides with three different ratios of H to metal. The results show that the migration mechanisms of H and He atoms mainly depend on the crystal structures of hydrides, but their energy barriers are affected by the host-lattice in metal hydrides. The formation energies of octahedral-occupancy H (H{sub oct}) and tetrahedral vacancy (V{sub tet}) pairs are almost the same (about 1.2 eV). It is of interest to note that the migration barriers of H increase with increasing host-lattice atomic number. In addition, the results show that the favorable migration mechanism of He depends slightly on the V{sub tet} in the Sc hydride, but strongly on that in the Y and Er hydrides, which may account for different behaviours of initial He release from ScT{sub 2} and ErT{sub 2}.

  8. Aluminum Hydride Propellant Shelflife

    DTIC Science & Technology

    1974-11-01

    PODE propellants, namely a model PCDE propellant processed at LPC using di-n-butylphthalate -: a chemically inert plasticizer, and a ballistically...prepolymer. The propellant processed at LPC used PCDE prepared by the Shell Development Company, while the Aerojet propellant was processed with PCDE...failures after 180 days storage at 40 and 60 0 C, nor was there any noticeable deformation of the elliptical tubes to suggest internal gas pressure

  9. Nonpolar GaN grown on Si by hydride vapor phase epitaxy using anodized Al nanomask

    NASA Astrophysics Data System (ADS)

    Polyakov, A. Y.; Markov, A. V.; Mezhennyi, M. V.; Govorkov, A. V.; Pavlov, V. F.; Smirnov, N. B.; Donskov, A. A.; D'yakonov, L. I.; Kozlova, Y. P.; Malakhov, S. S.; Yugova, T. G.; Osinsky, V. I.; Gorokh, G. G.; Lyahova, N. N.; Mityukhlyaev, V. B.; Pearton, S. J.

    2009-01-01

    GaN growth by the hydride vapor phase technique on (100) Si substrates masked by porous Al anodic oxide is described. The masks were prepared by vacuum deposition of Al with subsequent anodic oxidation in dilute sorrel acid. The grown GaN layer is nonpolar, with (112¯0) a-orientation and a full width at half maximum of the (112¯0) reflection below 500 arc sec and showing small anisotropy. This result is comparable with the results obtained for a-GaN growth using selective epitaxy or advanced buffer growth routines. Microcathodoluminescence spectra of the grown films confirm a low density of stacking faults. Possible growth mechanisms are discussed.

  10. Next Generation Energetic Materials: New Cluster Hydrides and Metastable Alloys of Aluminum in Very Low Oxidation States

    DTIC Science & Technology

    2016-10-01

    carbon = dark gray, lithium = purple, nitrogen = dark blue, oxygen = red, silicon = light gray, sodium = yellow. Recently, we also have obtained the...Soc., 136, 3607–3616 (2014) 9. "Aluminum Zintl Anion Moieties within Sodium Aluminum Clusters", H. Wang, X. Zhang, J. Ko, A. Grubisic, X. Li, G...Zintl anion moieties within sodium aluminum clusters Haopeng Wang,1 Xinxing Zhang,1 Yeon Jae Ko,1 Andrej Grubisic,1 Xiang Li,1 Gerd Ganteför,1

  11. Synthesis of ruthenium hydride

    NASA Astrophysics Data System (ADS)

    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.

  12. Self-catalyzed GaAs nanowires on silicon by hydride vapor phase epitaxy

    NASA Astrophysics Data System (ADS)

    Dong, Zhenning; André, Yamina; Dubrovskii, Vladimir G.; Bougerol, Catherine; Leroux, Christine; Ramdani, Mohammed R.; Monier, Guillaume; Trassoudaine, Agnès; Castelluci, Dominique; Gil, Evelyne

    2017-03-01

    Gold-free GaAs nanowires on silicon substrates can pave the way for monolithic integration of photonic nanodevices with silicon electronic platforms. It is extensively documented that the self-catalyzed approach works well in molecular beam epitaxy but is much more difficult to implement in vapor phase epitaxies. Here, we report the first gallium-catalyzed hydride vapor phase epitaxy growth of long (more than 10 μm) GaAs nanowires on Si(111) substrates with a high integrated growth rate up to 60 μm h‑1 and pure zincblende crystal structure. The growth is achieved by combining a low temperature of 600 °C with high gaseous GaCl/As flow ratios to enable dechlorination and formation of gallium droplets. GaAs nanowires exhibit an interesting bottle-like shape with strongly tapered bases, followed by straight tops with radii as small as 5 nm. We present a model that explains the peculiar growth mechanism in which the gallium droplets nucleate and rapidly swell on the silicon surface but then are gradually consumed to reach a stationary size. Our results unravel the necessary conditions for obtaining gallium-catalyzed GaAs nanowires by vapor phase epitaxy techniques.

  13. Self-catalyzed GaAs nanowires on silicon by hydride vapor phase epitaxy.

    PubMed

    Dong, Zhenning; André, Yamina; Dubrovskii, Vladimir G; Bougerol, Catherine; Leroux, Christine; Ramdani, Mohammed R; Monier, Guillaume; Trassoudaine, Agnès; Castelluci, Dominique; Gil, Evelyne

    2017-03-24

    Gold-free GaAs nanowires on silicon substrates can pave the way for monolithic integration of photonic nanodevices with silicon electronic platforms. It is extensively documented that the self-catalyzed approach works well in molecular beam epitaxy but is much more difficult to implement in vapor phase epitaxies. Here, we report the first gallium-catalyzed hydride vapor phase epitaxy growth of long (more than 10 μm) GaAs nanowires on Si(111) substrates with a high integrated growth rate up to 60 μm h(-1) and pure zincblende crystal structure. The growth is achieved by combining a low temperature of 600 °C with high gaseous GaCl/As flow ratios to enable dechlorination and formation of gallium droplets. GaAs nanowires exhibit an interesting bottle-like shape with strongly tapered bases, followed by straight tops with radii as small as 5 nm. We present a model that explains the peculiar growth mechanism in which the gallium droplets nucleate and rapidly swell on the silicon surface but then are gradually consumed to reach a stationary size. Our results unravel the necessary conditions for obtaining gallium-catalyzed GaAs nanowires by vapor phase epitaxy techniques.

  14. Hysteresis in Metal Hydrides.

    ERIC Educational Resources Information Center

    Flanagan, Ted B., And Others

    1987-01-01

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

  15. A Kinetic Model for GaAs Growth by Hydride Vapor Phase Epitaxy

    SciTech Connect

    Schulte, Kevin L.; Simon, John; Jain, Nikhil; Young, David L.; Ptak, Aaron J.

    2016-11-21

    Precise control of the growth of III-V materials by hydride vapor phase epitaxy (HVPE) is complicated by the fact that the growth rate depends on the concentrations of nearly all inputs to the reactor and also the reaction temperature. This behavior is in contrast to metalorganic vapor phase epitaxy (MOVPE), which in common practice operates in a mass transport limited regime where growth rate and alloy composition are controlled almost exclusively by flow of the Group III precursor. In HVPE, the growth rate and alloy compositions are very sensitive to temperature and reactant concentrations, which are strong functions of the reactor geometry. HVPE growth, particularly the growth of large area materials and devices, will benefit from the development of a growth model that can eventually be coupled with a computational fluid dynamics (CFD) model of a specific reactor geometry. In this work, we develop a growth rate law using a Langmuir-Hinshelwood (L-H) analysis, fitting unknown parameters to growth rate data from the literature that captures the relevant kinetic and thermodynamic phenomena of the HVPE process. We compare the L-H rate law to growth rate data from our custom HVPE reactor, and develop quantitative insight into reactor performance, demonstrating the utility of the growth model.

  16. Simultaneous separation of hydrophobic and hydrophilic peptides with a silica hydride stationary phase using aqueous normal phase conditions.

    PubMed

    Boysen, Reinhard I; Yang, Yuanzhong; Chowdhury, Jamil; Matyska, Maria T; Pesek, Joseph J; Hearn, Milton T W

    2011-11-04

    The application of a silica hydride modified stationary phase with low organic loading has been investigated as a new type of chromatographic material suitable for the separation and analysis of peptides with electrospray ionization mass spectrometric detection. Retention maps were established to delineate the chromatographic characteristics of a series of peptides with physical properties ranging from strongly hydrophobic to very hydrophilic and encompassing a broad range of pI values (pI 5.5-9.4). The effects of low concentrations of two additives (formic acid and acetic acid) in the mobile phase were also investigated with respect to their contribution to separation selectivity and retention under comparable conditions. Significantly, strong retention of both the hydrophobic and the hydrophilic peptides was observed when high-organic low-aqueous mobile phases were employed, thus providing a new avenue to achieve high resolution peptide separations. For example, simultaneous separation of hydrophobic and hydrophilic peptides was achieved under aqueous normal phase (ANP) chromatographic conditions with linear gradient elution procedures in a single run, whilst further gradient optimization enabled improved peak efficiencies of the more strongly retained hydrophobic and hydrophilic peptides.

  17. Determination of arsenic and selenium by hydride generation and headspace solid phase microextraction coupled with optical emission spectrometry

    NASA Astrophysics Data System (ADS)

    Tyburska, Anna; Jankowski, Krzysztof; Rodzik, Agnieszka

    2011-07-01

    A hydride generation headspace solid phase microextraction technique has been developed in combination with optical emission spectrometry for determination of total arsenic and selenium. Hydrides were generated in a 10 mL volume septum-sealed vial and subsequently collected onto a polydimethylsiloxane/Carboxen solid phase microextraction fiber from the headspace of sample solution. After completion of the sorption, the fiber was transferred into a thermal desorption unit and the analytes were vaporized and directly introduced into argon inductively coupled plasma or helium microwave induced plasma radiation source. Experimental conditions of hydride formation reaction as well as sorption and desorption of analytes have been optimized showing the significant effect of the type of the solid phase microextraction fiber coating, the sorption time and hydrochloric acid concentration of the sample solution on analytical characteristics of the method developed. The limits of detection of arsenic and selenium were 0.1 and 0.8 ng mL - 1 , respectively. The limit of detection of selenium could be improved further using biosorption with baker's yeast Saccharomyces cerevisiae for analyte preconcentration. The technique was applied for the determination of total As and Se in real samples.

  18. Epitaxial growth of three dimensionally structured III-V photonic crystal via hydride vapor phase epitaxy

    SciTech Connect

    Zheng, Qiye; Kim, Honggyu; Zhang, Runyu; Zuo, Jianmin; Braun, Paul V.; Sardela, Mauro; Balaji, Manavaimaran; Lourdudoss, Sebastian; Sun, Yan-Ting

    2015-12-14

    Three-dimensional (3D) photonic crystals are one class of materials where epitaxy, and the resultant attractive electronic properties, would enable new functionalities for optoelectronic devices. Here we utilize self-assembled colloidal templates to fabricate epitaxially grown single crystal 3D mesostructured Ga{sub x}In{sub 1−x}P (GaInP) semiconductor photonic crystals using hydride vapor phase epitaxy (HVPE). The epitaxial relationship between the 3D GaInP and the substrate is preserved during the growth through the complex geometry of the template as confirmed by X-ray diffraction (XRD) and high resolution transmission electron microscopy. XRD reciprocal space mapping of the 3D epitaxial layer further demonstrates the film to be nearly fully relaxed with a negligible strain gradient. Fourier transform infrared spectroscopy reflection measurement indicates the optical properties of the photonic crystal which agree with finite difference time domain simulations. This work extends the scope of the very few known methods for the fabrication of epitaxial III-V 3D mesostructured materials to the well-developed HVPE technique.

  19. Hydride vapor phase GaN films with reduced density of residual electrons and deep traps

    SciTech Connect

    Polyakov, A. Y.; Smirnov, N. B.; Govorkov, A. V.; Yugova, T. G.; Cox, H.; Helava, H.; Makarov, Yu.; Usikov, A. S.

    2014-05-14

    Electrical properties and deep electron and hole traps spectra are compared for undoped n-GaN films grown by hydride vapor phase epitaxy (HVPE) in the regular process (standard HVPE samples) and in HVPE process optimized for decreasing the concentration of residual donor impurities (improved HVPE samples). It is shown that the residual donor density can be reduced by optimization from ∼10{sup 17} cm{sup −3} to (2–5) × 10{sup 14} cm{sup −3}. The density of deep hole traps and deep electron traps decreases with decreased donor density, so that the concentration of deep hole traps in the improved samples is reduced to ∼5 × 10{sup 13} cm{sup −3} versus 2.9 × 10{sup 16} cm{sup −3} in the standard samples, with a similar decrease in the electron traps concentration.

  20. Phase Equilibria, Crystal Structure and Hydriding/Dehydriding Mechanism of Nd4Mg80Ni8 Compound

    PubMed Central

    Luo, Qun; Gu, Qin-Fen; Zhang, Jie-Yu; Chen, Shuang-Lin; Chou, Kuo-Chih; Li, Qian

    2015-01-01

    In order to find out the optimal composition of novel Nd-Mg-Ni alloys for hydrogen storage, the isothermal section of Nd-Mg-Ni system at 400 °C is established by examining the equilibrated alloys. A new ternary compound Nd4Mg80Ni8 is discovered in the Mg-rich corner. It has the crystal structure of space group I41/amd with lattice parameters of a = b = 11.2743(1) Å and c = 15.9170(2) Å, characterized by the synchrotron powder X-ray diffraction (SR-PXRD). High-resolution transmission electron microscopy (HR-TEM) is used to investigate the microstructure of Nd4Mg80Ni8 and its hydrogen-induced microstructure evolution. The hydrogenation leads to Nd4Mg80Ni8 decomposing into NdH2.61-MgH2-Mg2NiH0.3 nanocomposites, where the high density phase boundaries provide a great deal of hydrogen atoms diffusion channels and nucleation sites of hydrides, which greatly enhances the hydriding/dehydriding (H/D) properties. The Nd4Mg80Ni8 exhibits a good cycle ability. The kinetic mechanisms of H/D reactions are studied by Real Physical Picture (RPP) model. The rate controlling steps are diffusion for hydriding reaction in the temperature range of 100 ~ 350 °C and surface penetration for dehydriding reaction at 291 ~ 347 °C. In-situ SR-PXRD results reveal the phase transformations of Mg to MgH2 and Mg2Ni to Mg2NiH4 as functions of hydrogen pressure and hydriding time. PMID:26471964

  1. Phase Equilibria, Crystal Structure and Hydriding/Dehydriding Mechanism of Nd4Mg80Ni8 Compound

    NASA Astrophysics Data System (ADS)

    Luo, Qun; Gu, Qin-Fen; Zhang, Jie-Yu; Chen, Shuang-Lin; Chou, Kuo-Chih; Li, Qian

    2015-10-01

    In order to find out the optimal composition of novel Nd-Mg-Ni alloys for hydrogen storage, the isothermal section of Nd-Mg-Ni system at 400 °C is established by examining the equilibrated alloys. A new ternary compound Nd4Mg80Ni8 is discovered in the Mg-rich corner. It has the crystal structure of space group I41/amd with lattice parameters of a = b = 11.2743(1) Å and c = 15.9170(2) Å, characterized by the synchrotron powder X-ray diffraction (SR-PXRD). High-resolution transmission electron microscopy (HR-TEM) is used to investigate the microstructure of Nd4Mg80Ni8 and its hydrogen-induced microstructure evolution. The hydrogenation leads to Nd4Mg80Ni8 decomposing into NdH2.61-MgH2-Mg2NiH0.3 nanocomposites, where the high density phase boundaries provide a great deal of hydrogen atoms diffusion channels and nucleation sites of hydrides, which greatly enhances the hydriding/dehydriding (H/D) properties. The Nd4Mg80Ni8 exhibits a good cycle ability. The kinetic mechanisms of H/D reactions are studied by Real Physical Picture (RPP) model. The rate controlling steps are diffusion for hydriding reaction in the temperature range of 100 ~ 350 °C and surface penetration for dehydriding reaction at 291 ~ 347 °C. In-situ SR-PXRD results reveal the phase transformations of Mg to MgH2 and Mg2Ni to Mg2NiH4 as functions of hydrogen pressure and hydriding time.

  2. Phase Equilibria, Crystal Structure and Hydriding/Dehydriding Mechanism of Nd4Mg80Ni8 Compound.

    PubMed

    Luo, Qun; Gu, Qin-Fen; Zhang, Jie-Yu; Chen, Shuang-Lin; Chou, Kuo-Chih; Li, Qian

    2015-10-16

    In order to find out the optimal composition of novel Nd-Mg-Ni alloys for hydrogen storage, the isothermal section of Nd-Mg-Ni system at 400 °C is established by examining the equilibrated alloys. A new ternary compound Nd4Mg80Ni8 is discovered in the Mg-rich corner. It has the crystal structure of space group I41/amd with lattice parameters of a = b = 11.2743(1) Å and c = 15.9170(2) Å, characterized by the synchrotron powder X-ray diffraction (SR-PXRD). High-resolution transmission electron microscopy (HR-TEM) is used to investigate the microstructure of Nd4Mg80Ni8 and its hydrogen-induced microstructure evolution. The hydrogenation leads to Nd4Mg80Ni8 decomposing into NdH2.61-MgH2-Mg2NiH0.3 nanocomposites, where the high density phase boundaries provide a great deal of hydrogen atoms diffusion channels and nucleation sites of hydrides, which greatly enhances the hydriding/dehydriding (H/D) properties. The Nd4Mg80Ni8 exhibits a good cycle ability. The kinetic mechanisms of H/D reactions are studied by Real Physical Picture (RPP) model. The rate controlling steps are diffusion for hydriding reaction in the temperature range of 100 ~ 350 °C and surface penetration for dehydriding reaction at 291 ~ 347 °C. In-situ SR-PXRD results reveal the phase transformations of Mg to MgH2 and Mg2Ni to Mg2NiH4 as functions of hydrogen pressure and hydriding time.

  3. Are cyclopentadienylberyllium, magnesium and calcium hydrides carbon or metal acids in the gas phase?

    PubMed

    Hurtado, Marcela; Lamsabhi, Al-Mokhtar; Mó, Otilia; Yáñez, Manuel; Guillemin, Jean-Claude

    2010-05-21

    The structure and bonding of cyclopentadienylberyllium (CpBeH), magnesium (CpMgH), and calcium (CpCaH) hydrides as well as those of their deprotonated species have been investigated by means of B3LYP/6-311+G(3df,2p)//B3LYP/6-311+G(d,p) and B3LYP/6-311+G(3df,2p)//QCISD/6-311+G(d,p) density functional theory (DFT) calculations. The three compounds exhibit C(5v) equilibrium conformations in their ground states. For CpBeH the agreement between the calculated geometry and that determined by MW spectroscopy is excellent. CpMgH and CpCaH can be viewed almost as the result of the interaction between a C₅H₅⁻ anion and a XH(+) (X = Mg, Ca) cation. Conversely, for CpBeH the interaction between the C₅H₅ and the BeH subunits is significantly covalent. These compounds exhibit a significant aromaticity, usually named three-dimension aromaticity, in contrast with the unsubstituted cyclopentadiene compound. The CpBeH derivative behaves as a C acid in the gas phase and is less acidic than cyclopentadiene. More importantly, CpMgH and CpCaH, in spite of the X(+δ)H(-δ) polarity exhibited by the X-H bond in the neutral systems, are predicted to be metal acids in the gas phase. Also surprisingly, both the Mg and the Ca derivatives are stronger acids than the Be analogue, and only slightly weaker acids than cyclopentadiene. This somewhat unexpected result is the consequence of two concomitant facts: the lower dissociation energy of the X-H (X = Mg, Ca) bonds with respect to the C-H bonds, and the significantly high electron affinity of the C₅H₅X* (X = Mg, Ca) radicals.

  4. Environmentally friendly method to grow wide-bandgap semiconductor aluminum nitride crystals: Elementary source vapor phase epitaxy

    PubMed Central

    Wu, PeiTsen; Funato, Mitsuru; Kawakami, Yoichi

    2015-01-01

    Aluminum nitride (AlN) has attracted increasing interest as an optoelectronic material in the deep ultraviolet spectral range due to its wide bandgap of 6.0 eV (207 nm wavelength) at room temperature. Because AlN bulk single crystals are ideal device substrates for such applications, the crystal growth of bulky AlN has been extensively studied. Two growth methods seem especially promising: hydride vapor phase epitaxy (HVPE) and sublimation. However, the former requires hazardous gases such as hydrochloric acid and ammonia, while the latter needs extremely high growth temperatures around 2000 °C. Herein we propose a novel vapor-phase-epitaxy-based growth method for AlN that does not use toxic materials; the source precursors are elementary aluminum and nitrogen gas. To prepare our AlN, we constructed a new growth apparatus, which realizes growth of AlN single crystals at a rate of ~18 μm/h at 1550 °C using argon as the source transfer via the simple reaction Al + 1/2N2 → AlN. This growth rate is comparable to that by HVPE, and the growth temperature is much lower than that in sublimation. Thus, this study opens up a novel route to achieve environmentally friendly growth of AlN. PMID:26616203

  5. Hydride formation and thermal desorption spectra of hydrogen of cathodically charged single-phase gamma titanium aluminide

    SciTech Connect

    Takasaki, Akito; Furuya, Yoshio

    1999-02-05

    The authors have previously reported thermal desorption spectra of hydrogen obtained from cathodically charged two-phase (Ti{sub 3}Al ({alpha}{sub 2}) + TiAl ({gamma})) titanium aluminides by means of thermal desorption spectroscopy (TDS), in which hydrogen ion current (H{sub 2}{sup +}) corresponding to hydrogen evolution rate during heating was measured by a quadrupole mass spectrometer in an ultra-high vacuum condition. Several accelerated hydrogen evolutions (TDS peak temperatures) have been observed in a series of TDS measurement, and then the authors have suggested that these peaks were dependent on the microstructures ({alpha}{sub 2} and {gamma} phases) as well as dissociation of the hydride phase which formed during cathodic charging. A comparison with the TDS spectra from other series of titanium aluminides, such as a single-phase {gamma} alloy, might give clearer views of the microstructural dependence on hydrogen evolution kinetics. In this paper, hydride formation, hydrogen uptake and hydrogen evolution kinetic of a cathodically charged single-phase {gamma} titanium aluminide are investigated, and these results are compared with the previous ones obtained in two-phase ({alpha}{sub 2} + {gamma}) titanium aluminides.

  6. Flow injection on-line solid phase extraction for ultra-trace lead screening with hydride generation atomic fluorescence spectrometry.

    PubMed

    Wan, Zhuo; Xu, Zhangrun; Wang, Jianhua

    2006-01-01

    A flow injection (FI) on-line solid phase extraction (SPE) procedure for ultra-trace lead separation and preconcentration was developed, followed by hydride generation and atomic fluorescence spectrometric (AFS) detection. Lead is retained on an iminodiacetate chelating resin packed microcolumn, and is afterward eluted with 2.5% (v/v) hydrochloric acid to facilitate the hydride generation by reaction with alkaline tetrahydroborate solution with 1% (m/v) potassium ferricyanide as an oxidizing (or sensitizing) reagent. The hydride was separated from the reaction medium in the gas-liquid separator and swept into the atomizer for quantification. The chemical variables and the FI flow parameters were carefully optimized. With a sample loading volume of 4.8 ml, quantitative retention of lead was obtained, along with an enrichment factor of 11.3 and a sampling frequency of 50 h(-1). A detection limit of 4 ng l(-1), defined as 3 times the blank standard deviation (3 sigma), was achieved along with a RSD value of 1.6% at the 0.4 microg l(-1) level. The procedure was validated by determining lead contents in two certified reference materials, and its practical applicability was further demonstrated by analysing a variety of biological and environmental samples.

  7. InGaAsP Solar Cells Grown by Hydride Vapor Phase Epitaxy

    SciTech Connect

    Jain, Nikhil; Simon, John; Schulte, Kevin L.; Dippo, Patricia; Young, Michelle; Young, David L.; Ptak, Aaron J.

    2016-11-21

    Hydride vapor phase epitaxy (HVPE) has recently reemerged as a low-cost, high-throughput alternative to metalorganic chemical vapor deposition (MOCVD) for the growth of high-efficiency III-V solar cells. Quaternary InGaAsP solar cells in the bandgap range of ~1.7-1.8 eV are promising top-cell candidates for integration in Ill-V/Si tandem cells with projected one-sun efficiencies exceeding 30%. In this work, we report on the development of lattice-matched InGaAsP solar cells grown on GaAs substrates via HVPE at very high growth rates of ~0.7 um/min. We demonstrate prototype 1.7 eV InGaAsP solar cells with an open-circuit voltage of 1.11 V. The short-circuit current is limited by the lack of a window layer in these early stage devices. The photo response of 1.7 InGaAsP solar cell with ~1.1 um thick base layer is found to be nearly insensitive to variation in p-type base doping concentration in the range from Na - 4x1016 to - 1x1017 cm-3, indicating an effective carrier collection length on the order of - 1.1 um or higher in our devices. These initial InGaAsP cell results are encouraging and highlight the viability of HVPE to produce mixed arsenide-phosphide solar cells grown lattice-matched on GaAs.

  8. Polycrystalline indium phosphide on silicon by indium assisted growth in hydride vapor phase epitaxy

    SciTech Connect

    Metaferia, Wondwosen; Sun, Yan-Ting Lourdudoss, Sebastian; Pietralunga, Silvia M.; Zani, Maurizio; Tagliaferri, Alberto

    2014-07-21

    Polycrystalline InP was grown on Si(001) and Si(111) substrates by using indium (In) metal as a starting material in hydride vapor phase epitaxy (HVPE) reactor. In metal was deposited on silicon substrates by thermal evaporation technique. The deposited In resulted in islands of different size and was found to be polycrystalline in nature. Different growth experiments of growing InP were performed, and the growth mechanism was investigated. Atomic force microscopy and scanning electron microscopy for morphological investigation, Scanning Auger microscopy for surface and compositional analyses, powder X-ray diffraction for crystallinity, and micro photoluminescence for optical quality assessment were conducted. It is shown that the growth starts first by phosphidisation of the In islands to InP followed by subsequent selective deposition of InP in HVPE regardless of the Si substrate orientation. Polycrystalline InP of large grain size is achieved and the growth rate as high as 21 μm/h is obtained on both substrates. Sulfur doping of the polycrystalline InP was investigated by growing alternating layers of sulfur doped and unintentionally doped InP for equal interval of time. These layers could be delineated by stain etching showing that enough amount of sulfur can be incorporated. Grains of large lateral dimension up to 3 μm polycrystalline InP on Si with good morphological and optical quality is obtained. The process is generic and it can also be applied for the growth of other polycrystalline III–V semiconductor layers on low cost and flexible substrates for solar cell applications.

  9. First Principles Studies of Phase Stability and Reaction Dynamics in Complex Metal Hydrides

    SciTech Connect

    Chou, Mei-Yin

    2014-09-29

    Complex metal hydrides are believed to be one of the most promising materials for developing hydrogen storage systems that can operate under desirable conditions. At the same time, these are also a class of materials that exhibit intriguing properties. We have used state-of-the-art computational techniques to study the fundamental properties of these materials.

  10. Gas-Phase Combustion Synthesis of Aluminum Nitride Powder

    NASA Technical Reports Server (NTRS)

    Axelbaum, R. L.; Lottes, C. R.; Huertas, J. I.; Rosen, L. J.

    1996-01-01

    Due to its combined properties of high electrical resistivity and high thermal conductivity aluminum nitride (AlN) is a highly desirable material for electronics applications. Methods are being sought for synthesis of unagglomerated, nanometer-sized powders of this material, prepared in such a way that they can be consolidated into solid compacts having minimal oxygen content. A procedure for synthesizing these powders through gas-phase combustion is described. This novel approach involves reacting AlCl3, NH3, and Na vapors. Equilibrium thermodynamic calculations show that 100% yields can be obtained for these reactants with the products being AlN, NaCl, and H2. The NaCl by-product is used to coat the AlN particles in situ. The coating allows for control of AlN agglomeration and protects the powders from hydrolysis during post-flame handling. On the basis of thermodynamic and kinetic considerations, two different approaches were employed to produce the powder, in co-flow diffusion flame configurations. In the first approach, the three reactants were supplied in separate streams. In the second, the AlCl3 and NH3 were premixed with HCl and then reacted with Na vapor. X-ray diffraction (XRD) spectra of as-produced powders show only NaCl for the first case and NaCl and AlN for the second. After annealing at 775 C tinder dynamic vacuum, the salt was removed and XRD spectra of powders from both approaches show only AlN. Aluminum metal was also produced in the co-flow flame by reacting AlCl3 with Na. XRD spectra of as-produced powders show the products to be only NaCl and elemental aluminum.

  11. Growth of low-threading-dislocation-density GaN on graphene by hydride vapor phase epitaxy

    NASA Astrophysics Data System (ADS)

    He, Shunyu; Xu, Yu; Qi, Lin; Li, Zongyao; Cao, Bing; Wang, Chinhua; Zhang, Jicai; Wang, Jianfeng; Xu, Ke

    2017-03-01

    Recently, gallium nitride (GaN) films grown on graphene have been widely studied. Here, we have grown low-threading-dislocation-density GaN films on graphene by hydride vapor phase epitaxy (HVPE). The full widths at half maximum (FWHMs) of X-ray rocking curves (XRCs) of the GaN films were 276 and 350 arcsec at the 0002 and 10\\bar{1}2 reflections, respectively. This shows that the threading dislocation densities are on the order of magnitude of 108 cm‑2, which is consistent with the results of cathodoluminescence (CL).

  12. Materials engineering of metal hydrides

    SciTech Connect

    Gruen, D.M.; Mendelsohn, M.H.

    1981-01-01

    Intermetallic hydrides of the AB/sub 5/ type have enthalpies in the range valid for chemical heat pumps. A scheme for manufacturing hydrides with optimal properties for a chemical heat pump is described, using LaNi/sub 5-x/Al/sub x/ and ZrV/sub 2x/Cr/sub x as examples. The Laves-phase ternary hydrides appear to be good candidates for gettering hydrogen in the Tokamak Fusion Test Reactor. (DLC)

  13. A Ti-V-based bcc phase alloy for use as metal hydride electrode with high discharge capacity.

    PubMed

    Yu, X B; Wu, Z; Xia, B J; Xu, N X

    2004-07-08

    The electrochemical characteristics of single bcc phase Ti-30V-15Cr-15Mn alloy were investigated. It was demonstrated that the single bcc phase alloy has high electrochemical discharge performance at high temperature. Its discharge capacity is closely related with temperature and discharge current. The first discharge capacities of 580-814 mAh g(-1) of the alloy powder were obtained at discharge current of 45-10 mA g(-1) in 6 M KOH solution at 353 K. Although the electrochemical cycle life of the alloy is unsatisfactory at present, it opens up prospects for developing a new hydrogen storage alloy with high hydrogen capacity for use as high performance metal hydride electrodes in rechargeable Ni-MH battery.

  14. EFFECTS OF SURFACE AREA DENSITY OF ALUMINUM FOAMS ON THERMAL CONDUCTIVITY OF ALUMINUM FOAM-PHASE CHANGE MATERIAL COMPOSITES

    SciTech Connect

    Hong, Sung-tae; Herling, Darrell R.

    2007-07-01

    The effects of the surface area density of open-cell aluminum foams on the effective thermal conductivity of aluminum foam-phase change material (PCM) composites were investigated. Paraffin was selected as the PCM. The experimental results show that the effective thermal conductivity increases as the temperature increases. The experimental results suggest that the effective thermal conductivities can be different for different surface area densities of foams even though the relative densities of foams are similar. Therefore, for an accurate estimation of the effective thermal conductivity, a correlation including the surface area density effect is needed.

  15. Hydrogen, lithium, and lithium hydride production

    DOEpatents

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

    2014-03-25

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

  16. Hydrogenation using hydrides and acid

    DOEpatents

    Bullock, R. Morris

    1990-10-30

    A process for the non-catalytic hydrogenation of organic compounds, which contain at least one reducible functional group, which comprises reacting the organic compound, a hydride complex, preferably a transition metal hydride complex or an organosilane, and a strong acid in a liquid phase.

  17. Direct synthesis of catalyzed hydride compounds

    DOEpatents

    Gross, Karl J.; Majzoub, Eric

    2004-09-21

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

  18. Growth of thick GaN layers on laser-processed sapphire substrate by hydride vapor phase epitaxy

    NASA Astrophysics Data System (ADS)

    Koyama, Koji; Aida, Hideo; Kim, Seong-Woo; Ikejiri, Kenjiro; Doi, Toshiro; Yamazaki, Tsutomu

    2014-10-01

    A 600 μm thick GaN layer was successfully grown by hydride vapor phase epitaxy by replacing the standard sapphire substrate with that processed by a focused laser beam within the substrate. The effects of the laser processing on the curvature and cracking of the GaN layer were investigated. Microscopic observations of the interior of the thick GaN layer revealed that the laser-processed substrate suppressed the generation of microcracks in the GaN layer. In addition, the laser processing was also found to reduce the change in the curvature during the GaN layer growth in comparison to that on the standard substrate. It is shown that the overlapping microcracks observed in the GaN layer on the standard sapphire substrate lead to serious cracking after thick GaN layer growth.

  19. Preparation of Freestanding GaN Wafers by Hydride Vapor Phase Epitaxy with Void-Assisted Separation

    NASA Astrophysics Data System (ADS)

    Oshima, Yuichi; Eri, Takeshi; Shibata, Masatomo; Sunakawa, Haruo; Kobayashi, Kenji; Ichihashi, Toshinari; Usui, Akira

    2003-01-01

    We have developed a novel technique for preparing large-scale freestanding GaN wafers. Hydride vapor phase epitaxy (HVPE) growth of thick GaN layer was performed on a GaN template with a thin TiN film on the top. After the cooling process of the HVPE growth, the thick GaN layer was easily separated from the template by the assistance of many voids generated around the TiN film. As a result, a freestanding GaN wafer was obtained. The wafer obtained had a diameter of 45 mm, and a mirror-like surface. The-full-width-at-half-maximum (FWHM) of (0002) and (10\\bar{1}0) peaks in the X-ray rocking curve profile were 60 and 92 arcsec, respectively. The dislocation density was evaluated at 5× 106 cm-3 by etch pit density measurement.

  20. Highly resistive C-doped hydride vapor phase epitaxy-GaN grown on ammonothermally crystallized GaN seeds

    NASA Astrophysics Data System (ADS)

    Iwinska, Malgorzata; Piotrzkowski, Ryszard; Litwin-Staszewska, Elzbieta; Sochacki, Tomasz; Amilusik, Mikolaj; Fijalkowski, Michal; Lucznik, Boleslaw; Bockowski, Michal

    2017-01-01

    GaN crystals were grown by hydride vapor phase epitaxy (HVPE) and doped with C. The seeds were high-structural-quality ammonothermally crystallized GaN. The grown crystals were highly resistive at 296 K and of high structural quality. High-temperature Hall effect measurements revealed p-type conductivity and a deep acceptor level in the material with an activation energy of 1 eV. This is in good agreement with density functional theory calculations based on hybrid functionals as presented by the Van de Walle group. They obtained an ionization energy of 0.9 eV when C was substituted for N in GaN and acted as a deep acceptor.

  1. Solubility and Reaction Rates of Aluminum Solid Phases Under Geothermal Conditions

    SciTech Connect

    Benezeth, P.; Palmer, D.A.; Wesolowski, D.J.; Anovitz, L.M.

    2000-05-28

    Experimental studies involving equilibrium solubility and dissolution/precipitation rates were initiated on aluminum hydroxide phases prevalent under geothermal reservoir conditions. A large capacity, hydrogen-electrode concentration cell (HECC) was constructed specifically for this purpose.

  2. Cast Aluminum Structures Technology (CAST). Phase I. Preliminary Design

    DTIC Science & Technology

    1977-05-01

    49 26 Assumed Crack Growth Rate -- A357 . . . . . . . . . .. 50 27 Flaw Growth at Hole of Gear Attachment Point .... .... 52 28 A357 S-N...wo TABLES Number ?Ile 1 Statistics on.16 Classes of A357 Aluminum Casting Data .. 14 2 "CAST" Preliminary Design Allowables .. .. .. ....... 20 3...damage tolerance criteria; development of preliminary design allowables data for A357 aluminum casting alloy to be used for design until completion

  3. Precipitation and Deposition of Aluminum-Containing Phases in Tank Wastes

    SciTech Connect

    Daniel M. Dabbs; Ilhan A. Aksay

    2005-01-12

    Aluminum-containing phases compose the bulk of solids precipitating during the processing of radioactive tank wastes. Processes designed to minimize the volume of high-level waste through conversion to glassy phases require transporting waste solutions near-saturated with aluminum-containing species from holding tank to processing center. The uncontrolled precipitation within transfer lines results in clogged pipes and lines and fouled ion exchangers, with the potential to shut down processing operations.

  4. Hydride Generation for Headspace Solid-Phase Extraction with CdTe Quantum Dots Immobilized on Paper for Sensitive Visual Detection of Selenium.

    PubMed

    Huang, Ke; Xu, Kailai; Zhu, Wei; Yang, Lu; Hou, Xiandeng; Zheng, Chengbin

    2016-01-05

    A low-cost, simple, and highly selective analytical method was developed for sensitive visual detection of selenium in human urine both outdoors and at home, by coupling hydride generation with headspace solid-phase extraction using quantum dots (QDs) immobilized on paper. The visible fluorescence from the CdTe QDs immobilized on paper was quenched by H2Se from hydride generation reaction and headspace solid-phase extraction. The potential mechanism was investigated by using X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) as well as Density Functional Theory (DFT). Potential interferences from coexisting ions, particularly Ag(+), Cu(2+), and Zn(2+), were eliminated. The selectivity was significantly increased because the selenium hydride was effectively separated from sample matrices by hydride generation. Moreover, due to the high sampling efficiency of hydride generation and headspace solid phase extraction, the sensitivity and the limit of detection (LOD) were significantly improved compared to conventional methods. A LOD of 0.1 μg L(-1) and a relative standard deviation (RSD, n = 7) of 2.4% at a concentration of 20 μg L(-1) were obtained when using a commercial spectrofluorometer as the detector. Furthermore, a visual assay based on the proposed method was developed for the detection of Se, 5 μg L(-1) of selenium in urine can be discriminated from the blank solution with the naked eye. The proposed method was validated by analysis of certified reference materials and human urine samples with satisfactory results.

  5. Hydride compositions

    DOEpatents

    Lee, Myung, W.

    1994-01-01

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

  6. Hydride compositions

    DOEpatents

    Lee, Myung W.

    1995-01-01

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

  7. Investigation of cracks in GaN films grown by combined hydride and metal organic vapor-phase epitaxial method

    NASA Astrophysics Data System (ADS)

    Liu, Jianming; Liu, Xianlin; Li, Chengming; Wei, Hongyuan; Guo, Yan; Jiao, Chunmei; Li, Zhiwei; Xu, Xiaoqing; Song, Huaping; Yang, Shaoyan; Zhu, Qinsen; Wang, Zhanguo; Yang, Anli; Yang, Tieying; Wang, Huanhua

    2011-12-01

    Cracks appeared in GaN epitaxial layers which were grown by a novel method combining metal organic vapor-phase epitaxy (MOCVD) and hydride vapor-phase epitaxy (HVPE) in one chamber. The origin of cracks in a 22-μm thick GaN film was fully investigated by high-resolution X-ray diffraction (XRD), micro-Raman spectra, and scanning electron microscopy (SEM). Many cracks under the surface were first observed by SEM after etching for 10 min. By investigating the cross section of the sample with high-resolution micro-Raman spectra, the distribution of the stress along the depth was determined. From the interface of the film/substrate to the top surface of the film, several turnings were found. A large compressive stress existed at the interface. The stress went down as the detecting area was moved up from the interface to the overlayer, and it was maintained at a large value for a long depth area. Then it went down again, and it finally increased near the top surface. The cross-section of the film was observed after cleaving and etching for 2 min. It was found that the crystal quality of the healed part was nearly the same as the uncracked region. This indicated that cracking occurred in the growth, when the tensile stress accumulated and reached the critical value. Moreover, the cracks would heal because of high lateral growth rate.

  8. Numerical Simulation of Aluminum Dust Detonations with Different Product Phases

    NASA Astrophysics Data System (ADS)

    Teng, H. H.; Jiang, Z. L.

    Detonation waves are waves of supersonic combustion induced by strong coupling shock and heat release. Detonation research has attracted much attention in recent years owing to its potential applications in hypersonic propulsion. Aluminum (Al) particle detonation is a type of dust detonation, and its research is important in the prevention of industrial explosions. Al dust detonations for flake and spherical particles have been studied , which is found to be very sensitive to the specific area[1].

  9. Cast Aluminum Structures Technology (CAST) Phase VI. Technology Transfer.

    DTIC Science & Technology

    1980-04-01

    system and ultimately fill the mold cavity to produce a casting. The fluidity of a given metal is measured with standard fluidity test molds. One...showed that the pouring temperature for large, thin-wall aluminum castings must be (1) high enough to provide sufficient fluidity for complete filling of...castings should have the following specific characteristics: good flowability , permeability, tensile strength, and compressive strength; high hot

  10. Predicting impurity gases and phases during hydrogen evolution from complex metal hydrides using free energy minimization enabled by first-principles calculations.

    PubMed

    Kim, Ki Chul; Allendorf, Mark D; Stavila, Vitalie; Sholl, David S

    2010-09-07

    First-principles calculations represent a potent tool for screening metal hydride mixtures that can reversibly store hydrogen. A number of promising new hydride systems with high hydrogen capacity and favorable thermodynamics have been predicted this way. An important limitation of these studies, however, is the assumption that H(2) is the only gas-phase product of the reaction, which is not always the case. This paper summarizes new theoretical and numerical approaches that can be used to predict thermodynamic equilibria in complex metal hydride systems with competing reaction pathways. We report thermochemical equilibrium calculations using data obtained from density functional theory (DFT) computations to describe the possible occurrence of gas-phase products other than H(2) in three complex hydrides, LiNH(2), LiBH(4), and Mg(BH(4))(2), and mixtures of these with the destabilizing compounds LiH, MgH(2), and C. The systems under investigation contain N, C, and/or B and thus have the potential to evolve N(2), NH(3), hydrocarbons, and/or boranes as well as H(2). Equilibria as a function of both temperature and total pressure are predicted. The results indicate that significant amounts of these species can form under some conditions. In particular, the thermodynamic model predicts formation of N(2) and NH(3) as products of LiNH(2) decomposition. Comparison with published experimental data indicates that N(2) formation must be kinetically limited. Our examination of C-containing systems indicates that methane is the stable gas-phase species at low temperatures, not H(2). On the other hand, very low amounts of boranes (primarily BH(3)) are predicted to form in B-containing systems.

  11. Selective-area growth of GaN microrods on strain-induced templates by hydride vapor phase epitaxy

    NASA Astrophysics Data System (ADS)

    Lekhal, Kaddour; Bae, Si-Young; Lee, Ho-Jun; Mitsunari, Tadashi; Tamura, Akira; Deki, Manato; Honda, Yoshio; Amano, Hiroshi

    2016-05-01

    In this paper, we discuss the influence of parameters such as type of carrier gas and NH3/HCl flow ratio on the growth of vertical GaN microstructures by selective-area growth (SAG) hydride vapor phase epitaxy (HVPE). On various strain-induced templates such as GaN/sapphire, GaN/Si, and AlN/Si, regular arrays of Ga-polar GaN microrods were properly achieved by adjusting the growth parameters. The photoluminescence and micro-Raman measurements reveal not only the crystal quality of the GaN microrods but also strain distribution. These results will give insight into the control of the morphology of GaN microrods in terms of the strain induced from templates in SAG-HVPE. The precisely controlled arrays of GaN microrods can be used for next-generation light-emitting diodes (LEDs) by realizing InGaN/GaN multi-quantum wells (MQWs) with a radial structure.

  12. Defects responsible for lifetime degradation in electron irradiated n-GaN grown by hydride vapor phase epitaxy

    NASA Astrophysics Data System (ADS)

    Lee, In-Hwan; Polyakov, A. Y.; Yakimov, E. B.; Smirnov, N. B.; Shchemerov, I. V.; Tarelkin, S. A.; Didenko, S. I.; Tapero, K. I.; Zinovyev, R. A.; Pearton, S. J.

    2017-03-01

    The effects of room temperature 6 MeV electron irradiation on the donor concentration, deep trap spectra, and diffusion lengths of nonequilibrium charge carriers were studied for undoped n-GaN grown by hydride vapor phase epitaxy. Changes in these parameters begin at a threshold electron fluence of 5 × 1015 cm-2. The diffusion lengths after this fluence decrease by a factor of 3, accompanied by a drastic increase in the density of deep electron traps with the level near Ec - 1 eV. There is a strong correlation between the changes in the density of these traps and the diffusion length of irradiated n-GaN, indicating that these centers control the lifetime in radiation damaged n-GaN. This is in sharp contrast to the starting material, where the lifetimes are controlled by other deep electron traps at Ec - 0.56 eV. The concentration of the latter is not strongly affected by high energy electron irradiation.

  13. Ar{sup +}-irradiation-induced damage in hydride vapor-phase epitaxy GaN films

    SciTech Connect

    Nakano, Yoshitaka Ogawa, Daisuke; Nakamura, Keiji; Kawakami, Retsuo; Niibe, Masahito

    2015-07-15

    The authors have investigated the electrical characteristics of hydride vapor-phase epitaxy GaN films exposed to Ar{sup +} irradiation, employing Schottky barrier diodes. The Ar{sup +} irradiation tends to largely increase the effective carrier concentration in the near surface region of GaN up to ∼25 nm, due to the generation of donor-type N vacancy defects, compared to the original value before the irradiation. More interestingly, acceptor-type deep-level defects are found to be formed at ∼2.1, ∼2.9, and ∼3.2 eV below the conduction band in the subsequently deeper region, in which Ga vacancies introduced by the Ar{sup +} irradiation are considered to be in-diffused and immediately combined with hydrogen. These N vacancies and hydrogenated Ga vacancies formed are dominantly responsible for changing the depth profiles of the effective carrier concentration via the carrier generation, the carrier trapping, and/or carrier compensation.

  14. Hydride development for hydrogen storage

    SciTech Connect

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

    1996-10-01

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

  15. Effective Thermal Conductivity of an Aluminum Foam + Water Two Phase System

    NASA Technical Reports Server (NTRS)

    Moskito, John

    1996-01-01

    This study examined the effect of volume fraction and pore size on the effective thermal conductivity of an aluminum foam and water system. Nine specimens of aluminum foam representing a matrix of three volume fractions (4-8% by vol.) and three pore sizes (2-4 mm) were tested with water to determine relationships to the effective thermal conductivity. It was determined that increases in volume fraction of the aluminum phase were correlated to increases in the effective thermal conductivity. It was not statistically possible to prove that changes in pore size of the aluminum foam correlated to changes in the effective thermal conductivity. However, interaction effects between the volume fraction and pore size of the foam were statistically significant. Ten theoretical models were selected from the published literature to compare against the experimental data. Models by Asaad, Hadley, and de Vries provided effective thermal conductivity predictions within a 95% confidence interval.

  16. Structural phase stability, electronic structure and mechanical properties of alkali metal hydrides AMH4 (A=Li, Na; M=B, AL)

    NASA Astrophysics Data System (ADS)

    Santhosh, M.; Rajeswarapalanichamy, R.

    2016-01-01

    The structural stability of Alkali metal hydrides AMH4 (A=Li, Na; M=B, Al) is analyzed among the various crystal structures, namely hexagonal (P63mc), tetragonal (P42/nmc), tetragonal (P-421c), tetragonal (I41/a), orthorhombic (Pnma) and monoclinic (P21/c). It is observed that, orthorhombic (Pnma) phase is the most stable structure for LiBH4, monoclinic (P21/c) for LiAlH4, tetragonal (P42/nmc) for NaBH4 and tetragonal (I41/a) for NaAlH4 at normal pressure. Pressure induced structural phase transitions are observed in LiBH4, LiAlH4, NaBH4 and NaAlH4 at the pressures of 4 GPa, 36.1 GPa, 26.5 GPa and 46 GPa respectively. The electronic structure reveals that these metal hydrides are wide band gap insulators. The calculated elastic constants indicate that these metal hydrides are mechanically stable at normal pressure.

  17. A model for arsenic anti-site incorporation in GaAs grown by hydride vapor phase epitaxy

    NASA Astrophysics Data System (ADS)

    Schulte, K. L.; Kuech, T. F.

    2014-12-01

    GaAs growth by hydride vapor phase epitaxy (HVPE) has regained interest as a potential route to low cost, high efficiency thin film photovoltaics. In order to attain the highest efficiencies, deep level defect incorporation in these materials must be understood and controlled. The arsenic anti-site defect, AsGa or EL2, is the predominant deep level defect in HVPE-grown GaAs. In the present study, the relationships between HVPE growth conditions and incorporation of EL2 in GaAs epilayers were determined. Epitaxial n-GaAs layers were grown under a wide range of deposition temperatures (TD) and gallium chloride partial pressures (PGaCl), and the EL2 concentration, [EL2], was determined by deep level transient spectroscopy. [EL2] agreed with equilibrium thermodynamic predictions in layers grown under conditions in which the growth rate, RG, was controlled by conditions near thermodynamic equilibrium. [EL2] fell below equilibrium levels when RG was controlled by surface kinetic processes, with the disparity increasing as RG decreased. The surface chemical composition during growth was determined to have a strong influence on EL2 incorporation. Under thermodynamically limited growth conditions, e.g., high TD and/or low PGaCl, the surface vacancy concentration was high and the bulk crystal was close to equilibrium with the vapor phase. Under kinetically limited growth conditions, e.g., low TD and/or high PGaCl, the surface attained a high GaCl coverage, blocking As adsorption. This competitive adsorption process reduced the growth rate and also limited the amount of arsenic that incorporated as AsGa. A defect incorporation model which accounted for the surface concentration of arsenic as a function of the growth conditions, was developed. This model was used to identify optimal growth parameters for the growth of thin films for photovoltaics, conditions in which a high growth rate and low [EL2] could be attained.

  18. Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure

    NASA Astrophysics Data System (ADS)

    Flores Livas, Jose; Amsler, Maximilian; Sanna, Antonio; Heil, Christoph; Boeri, Lilia; Profeta, Gianni; Wolverton, Crhis; Goedecker, Stefan; Gross, E. K. U.

    Recently, compressed phosphine was reported to metallize at pressures above 45 GPa, reaching a superconducting transition temperature (Tc) of 100 K at 200 GPa. However, neither the exact composition nor the crystal structure of the superconducting phase have been conclusively determined. In this work the phase diagram of PHn (n = 1 , 2 , 3 , 4 , 5 , 6) was extensively explored by means of ab initio crystal structure prediction methods. The results do not support the existence of thermodynamically stable PHn compounds, which exhibit a tendency for elemental decomposition at high pressure even when vibrational contributions to the free energies are taken into account. Although the lowest energy phases of PH1 , 2 , 3 display Tc's comparable to experiments, it remains questionable if the measured values of Tc can be fully attributed to a phase-pure compound of PHn. This work was done within the NCCR MARVEL project.

  19. Metal Hydride Heat Storage Technology for Directed Energy Weapon Systems

    DTIC Science & Technology

    2007-11-16

    over time after the pulse operation. A compressor -driven metal hydride heat storage system was developed for efficient, compact heat storage and...principle and heat storage performance results of the compressor -driven metal hydride heat storage system through system modeling and prototype testing. The...hyd/m³] Subscripts A Metal hydride reactor B Hydrogen container C Hydrogen compressor s Hydrogen solid phase in hydride f Hydrogen fluid phase

  20. Dislocations limited electronic transport in hydride vapour phase epitaxy grown GaN templates: A word of caution for the epitaxial growers

    SciTech Connect

    Chatterjee, Abhishek Khamari, Shailesh K.; Kumar, R.; Dixit, V. K.; Oak, S. M.; Sharma, T. K.

    2015-01-12

    GaN templates grown by hydride vapour phase epitaxy (HVPE) and metal organic vapour phase epitaxy (MOVPE) techniques are compared through electronic transport measurements. Carrier concentration measured by Hall technique is about two orders larger than the values estimated by capacitance voltage method for HVPE templates. It is learnt that there exists a critical thickness of HVPE templates below which the transport properties of epitaxial layers grown on top of them are going to be severely limited by the density of charged dislocations lying at layer-substrate interface. On the contrary MOVPE grown templates are found to be free from such limitations.

  1. Silica, hybrid silica, hydride silica and non-silica stationary phases for liquid chromatography.

    PubMed

    Borges, Endler M

    2015-04-01

    Free silanols on the surface of silica are the "villains", which are responsible for detrimental interactions of those compounds and the stationary phase (i.e., bad peak shape, low efficiency) as well as low thermal and chemical stability. For these reasons, we began this review describing new silica and hybrid silica stationary phases, which have reduced and/or shielded silanols. At present, in liquid chromatography for the majority of analyses, reversed-phase liquid chromatography is the separation mode of choice. However, the needs for increased selectivity and increased retention of hydrophilic bases have substantially increased the interest in hydrophilic interaction chromatography (HILIC). Therefore, stationary phases and this mode of separation are discussed. Then, non-silica stationary phases (i.e., zirconium oxide, titanium oxide, alumina and porous graphitized carbon), which afford increased thermal and chemical stability and also selectivity different from those obtained with silica and hybrid silica, are discussed. In addition, the use of these materials in HILIC is also reviewed.

  2. Microstructure of surface cerium hydride growth sites

    SciTech Connect

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

    2014-05-15

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

  3. Planar gas chromatography column on aluminum plate with multi-walled carbon nanotubes as stationary phase

    NASA Astrophysics Data System (ADS)

    Platonov, I. A.; Platonov, V. I.; Pavelyev, V. S.

    2016-04-01

    The high selectivity of the adsorption layer for low-boiling alkanes is shown, the separation factor (α) couple iso-butane / butane is 1.9 at a column temperature of 50 °C.The paper presents sorption and selective properties of planar gas chromatography column on aluminum plate with multi-walled carbon nanotubes as the stationary phase.

  4. Mineral phases and metals in baghouse dust from secondary aluminum production

    EPA Science Inventory

    Baghouse dust (BHD) is a solid waste generated by air pollution control systems during secondary aluminum processing (SAP). Management and disposal of BHD can be challenging in the U.S. and elsewhere. In this study, the mineral phases, metal content and metal leachability of 78...

  5. Transfer of Amide and 2-Methoxyethoxy Groups and Sodium Encapsulation in the Reaction of TaCl3[N(TMS)2]2 with Sodium Bis(2-methoxyethoxy)aluminum Hydride: X-ray Structure of [NaAl{N(TMS)2}(OCH2CH2OMe)3]2

    SciTech Connect

    Huang, Shih-Huang Huang; Wang, Xiaoping; Richmond, Michael G.

    2009-01-01

    The reaction between the tantalum compound TaCl3[N(TMS)2]2 and the hydridic reducing agent sodium bis(2-methoxyethoxy)aluminum hydride (Vitride) has been investigated in toluene solution at room temperature and found to afford the dimeric aluminate complex [NaAl{N(TMS)2}(OCH2CH2OMe)3]2 as the sole isolable product. The molecular structure of the product establishes the existence of a four-coordinate aluminum atom and the formal transfer of the 2-methoxyethoxy and bis(trimethylsilyl)amide groups to the aluminate product. The aggregation of two NaAl{N(TMS)2}(OCH2CH2OMe)3 units serves to bind the two sodium cations in a crown-ether fashion through six ancillary oxygen atoms.

  6. PHASE ANALYSIS AND CRYSTAL STRUCTURE STUDIES ON BINARY ALLOYS OF ALUMINUM WITH TRANSITION METALS.

    DTIC Science & Technology

    In order to provide the necessary background for detailed crystal-chemistry studies in the field of binary aluminum - transition metal systems, extensive investigations have been carried out on the phase relations of a large number of such systems. The results of these studies are briefly summarized, as are also the results of crystal structure determinations of a few alumi num - transition metal phases. (Author)

  7. LiCa₃As₂H and Ca₁₄As₆X₇ (X = C, H, N): two new arsenide hydride phases grown from Ca/Li metal flux.

    PubMed

    Blankenship, Trevor V; Wang, Xiaoping; Hoffmann, Christina; Latturner, Susan E

    2014-10-06

    The reaction of arsenic with sources of light elements in a Ca/Li melt leads to the formation of two new arsenide hydride phases. The predominant phase Ca14As6X7 (X = C(4-), N(3-), H(-)) exhibits a new tetragonal structure type in the space group P4/mbm (a = 15.749(1) Å, c = 9.1062(9) Å, Z = 4, R1 = 0.0150). The minor phase LiCa3As2H also has a new structure type in the orthorhombic space group Pnma (a = 11.4064(7) Å, b = 4.2702(3) Å, c = 11.8762(8)Å, Z = 4, R1 = 0.0135). Both phases feature hydride and arsenide anions separated by calcium cations. The red color of these compounds indicates they should be charge-balanced. DOS calculations on LiCa3As2H confirm a band gap of 1.4 eV; UV-vis spectroscopy on Ca14As6X7 shows a band gap of 1.6 eV. Single-crystal neutron diffraction studies were necessary to determine the mixed occupancy of carbon, nitrogen, and hydrogen anions on the six light-element sites in Ca14As6X7; these data indicated an overall stoichiometry of Ca14As6C(0.445)N(1.135)H(4.915).

  8. Ni/metal hydride secondary element

    DOEpatents

    Bauerlein, Peter

    2005-04-19

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

  9. Interferometric phase measurement of zerodur, aluminum and SXA mirrors at cryogenic temperatures

    NASA Technical Reports Server (NTRS)

    Magner, Thomas J.; Barney, Richard D.

    1988-01-01

    A research program was undertaken to determine the surface figure error of several different types of mirrors at cryogenic temperatures. Two-inch diameter parabolic, spherical and flat mirrors were fabricated from zerodur, aluminum and a metal matrix composite of silicon carbide reinforced aluminum (SXA). The ratio of silicon carbide to aluminum was selected so that the coefficient of thermal expansion (CTE) of the metal matrix matched electroless nickel. A liquuid helium dewar was modified to add an interferometric grade window, a cold electronic shutter and a strain-free copper mirror mount. Interferometric phase measurements on each mirror mounted in the dewar were made without the window, with the window, under vacuum, at around 80K and between 10K and 24K.

  10. A model for arsenic anti-site incorporation in GaAs grown by hydride vapor phase epitaxy

    SciTech Connect

    Schulte, K. L.; Kuech, T. F.

    2014-12-28

    GaAs growth by hydride vapor phase epitaxy (HVPE) has regained interest as a potential route to low cost, high efficiency thin film photovoltaics. In order to attain the highest efficiencies, deep level defect incorporation in these materials must be understood and controlled. The arsenic anti-site defect, As{sub Ga} or EL2, is the predominant deep level defect in HVPE-grown GaAs. In the present study, the relationships between HVPE growth conditions and incorporation of EL2 in GaAs epilayers were determined. Epitaxial n-GaAs layers were grown under a wide range of deposition temperatures (T{sub D}) and gallium chloride partial pressures (P{sub GaCl}), and the EL2 concentration, [EL2], was determined by deep level transient spectroscopy. [EL2] agreed with equilibrium thermodynamic predictions in layers grown under conditions in which the growth rate, R{sub G}, was controlled by conditions near thermodynamic equilibrium. [EL2] fell below equilibrium levels when R{sub G} was controlled by surface kinetic processes, with the disparity increasing as R{sub G} decreased. The surface chemical composition during growth was determined to have a strong influence on EL2 incorporation. Under thermodynamically limited growth conditions, e.g., high T{sub D} and/or low P{sub GaCl}, the surface vacancy concentration was high and the bulk crystal was close to equilibrium with the vapor phase. Under kinetically limited growth conditions, e.g., low T{sub D} and/or high P{sub GaCl}, the surface attained a high GaCl coverage, blocking As adsorption. This competitive adsorption process reduced the growth rate and also limited the amount of arsenic that incorporated as As{sub Ga}. A defect incorporation model which accounted for the surface concentration of arsenic as a function of the growth conditions, was developed. This model was used to identify optimal growth parameters for the growth of thin films for photovoltaics, conditions in which a high growth rate and low [EL2] could be

  11. Phase transformations and thermodynamics of aluminum-based metallic glasses

    NASA Astrophysics Data System (ADS)

    Gao, Changhua (Michael)

    This thesis examines the thermodynamics and associated kinetics and phase transformations of the glass forming Al-Ni-Gd and Al-Fe-Gd systems. In order to fully understand the unique glass forming ability (GFA) of Al-based metallic glasses, the ternary Al-Fe-Gd and Al-Ni-Gd systems in their Al-rich corners were examined experimentally to assist in a thermodynamic assessment. The solid-state phase equilibria are determined using XRD and TEM-EDS techniques. While this work basically confirms the solid-state equilibria in Al-Fe-Gd reported previously, the ternary phase in Al-Ni-Gd system has been identified to be Al15Ni3Gd2 rather than Al16Ni 3Gd reported in the literature. DTA analysis of 24 alloys in the Al-Fe-Gd system and 42 alloys in the Al-Ni-Gd system have yielded critical temperatures pertaining to the solid-liquid transition. Based on these data and information from the literature, a self-consistent thermodynamic database for these systems has been developed using the CALPHAD technique. Parameters describing the Gibbs free energy for various phases of the Al-Gd, Al-Fe-Gd and Al-Ni-Gd systems are manually optimized in this study. Once constructed, the database is used to calculate driving forces for nucleation of crystalline phases which can qualitatively explain the phase formation sequence during crystallization at low temperatures. It was also confirmed that alloy compositions with the lowest Gibbs free energy difference between the equilibrium state and undercooled liquid state exhibit better GFA than other chemistries. Based on 250°C isothermal devitrification phase transformations of 17 Al-Ni-Gd alloys, a phase formation sequence map is constructed. Fcc-Al nanocrystals are formed first in most of the alloys studied, but eutectic crystallization of a metastable phase and fcc-Al is also observed. Addition of Al or Ni promotes fcc-Al phase formation, while increasing Gd suppresses it. The continuous heating DSC scans revealed that crystallization in Al

  12. Pressureless Reaction Sintering of AlON using Aluminum Orthophosphate as a Transient Liquid Phase

    SciTech Connect

    Michael Bakas; Henry Chu

    2009-01-01

    Use of aluminum oxynitride (AlON) in transparent armor systems has been difficult due to the expense and limitations of the processing methods currently necessary to achieve transparency. Development of a pressureless processing method based on direct reaction sintering of alumina and aluminum nitride powders would reduce costs and provide a more flexible and practical manufacturing method. It may be possible to develop such a processing method using liquid phase sintering; as long as the liquid phase does not remain in the final sample. AlPO4 forms a liquid phase with Al2O3 and AlN at the temperatures required to sinter AlON, and slowly decomposes into P2O5 and alumina. Therefore, it was investigated as a possible transient liquid phase for reaction-sintered AlON. Small compacts of alumina and aluminum nitride with up to of 15wt% AlPO4 additive were pressed and sintered. It was found that AlPO4 formed the requisite transient liquid phase, and it was possible to adjust the process to produce AlON samples with good transmission and densities of 3.66-3.67 g/cc. XRD confirmed the samples formed were AlON, with no trace of any remaining phosphate phases or excess alumina or aluminum nitride. Based on the results, it was concluded that AlPO4 could be utilized as a transient liquid phase to improve the density and transmission of AlON produced by pressureless reaction sintering.

  13. Comparison of the performance of different silica hydride particles for the solid-phase extraction of non-volatile analytes from dark chocolate with analysis by gas chromatography-quadrupole mass spectrometry.

    PubMed

    Nolvachai, Yada; Kulsing, Chadin; Boysen, Reinhard I; Matyska, Maria T; Pesek, Joseph J; Marriott, Philip J; Hearn, Milton T W

    2015-05-01

    The extraction capabilities of a Diamond Hydride™ phase, as well as silica hydride phases modified with bidentate octadecyl (BDC(18)), phenyl or cholesteryl groups, were evaluated for the analysis of fatty acids, amino acids, sugars and sterols in a dark chocolate extract. These batch adsorption performances were investigated using either methanol or aqueous methanol as the solvent. The compositions of the extracted fractions were assessed by gas chromatography interfaced with quadrupole mass spectrometry (GC-qMS). The batch binding propensities of the various compound classes with silica hydride particles modified with immobilised phenyl groups or larger ligands followed trends predicted from linear solvation energy relationships. Both prediction and experiment revealed that better extraction results could be obtained with the phenyl, BDC(18) and cholesteryl hydride particles for the major chocolate components. Based on these results, separations in micro-pipette tip format with these three types of stationary phase particles have been undertaken.

  14. Densities, Electrical Conductivities, Viscosities and Phase Equilibria of 1,3-Dialkylimidazolium Chloride - Aluminum Chloride Binary and Ternary Melts.

    DTIC Science & Technology

    1982-07-01

    FRANK J. SELLER RESEARCH LABORATORY FJSRL-TR-82-0006 JULY 1982 DENSITIES, ELEC’TRICAL CONDUCTIVITIES, VISCOSITIES AND PHASE EQUILIBRIA OF 1,3...Conductivities, Viscosities and Phase Equilibria of 1,3- Interim 6/81-7/82 Dialkylimidazolium Chloride-Aluminum Chloride 6. PERFORMING ORG. REPORT NUMBER...Entered) FJSRL-TR-82-0006 DENSITIES, ELECTRICAL CONDUCTIVITIES, VISCOSITIES AND PHASE EQUILIBRIA OF 1,3-DIALKYLIMIDAZOLIUM CHLORIDE- ALUMINUM CHLORIDE

  15. Solid phosphorus phase in aluminum- and iron-treated biosolids.

    PubMed

    Huang, Xiao-Lan; Chen, Yona; Shenker, Moshe

    2007-01-01

    Stabilization of phosphorus (P) in sewage sludge (biosolids) to reduce water-soluble P concentrations is essential for minimizing P loss from amended soils and maximizing the capacity of the soil to safely serve as an outlet for this waste material. The chemical form at which P is retained in biosolids stabilized by Al(2)(SO(4))(3) x 18H(2)O (alum) or FeSO(4) x 7H(2)O (FeSul) was investigated by scanning electron microscopy (SEM) equipped with energy-dispersive X-ray elemental spectrometry (EDXS) and by X-ray diffraction (XRD). Both treatments resulted in the formation of a Ca-P phase, probably brushite. Phosphorus was further retained in the alum-treated biosolids by precipitation of an Al-P phase with an Al/P molar ratio of about 1:1, while in the FeSul-treated biosolids, P was retained by both precipitation with Fe/P molar ratios of 1:1 or 1.5:1, and by adsorption onto newly formed Fe hydroxides exhibiting an Fe/P molar ratio of up to 11:1. All of these mechanisms efficiently reduced P solubility and are crucial in biosolids environmentally safe agronomic beneficial use for this waste product; however, each P phase formed may react differently in the amended soil, depending on soil properties. Thus, the proper P stabilization method would depend on the target soil.

  16. Hydride compressor

    DOEpatents

    Powell, James R.; Salzano, Francis J.

    1978-01-01

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

  17. Reactivity of yttrium carboxylates toward alkylaluminum hydrides.

    PubMed

    Schädle, Christoph; Fischbach, Andreas; Herdtweck, Eberhardt; Törnroos, Karl W; Anwander, Reiner

    2013-11-25

    Yttrocene-carboxylate complex [Cp*2Y(OOCAr(Me))] (Cp*=C5Me5, Ar(Me) =C6H2Me3-2,4,6) was synthesized as a spectroscopically versatile model system for investigating the reactivity of alkylaluminum hydrides towards rare-earth-metal carboxylates. Equimolar reactions with bis-neosilylaluminum hydride and dimethylaluminum hydride gave adduct complexes of the general formula [Cp*2Y(μ-OOCAr(Me))(μ-H)AlR2] (R=CH2SiMe3, Me). The use of an excess of the respective aluminum hydride led to the formation of product mixtures, from which the yttrium-aluminum-hydride complex [{Cp*2Y(μ-H)AlMe2(μ-H)AlMe2(μ-CH3)}2] could be isolated, which features a 12-membered-ring structure. The adduct complexes [Cp*2Y(μ-OOCAr(Me))(μ-H)AlR2] display identical (1)J(Y,H) coupling constants of 24.5 Hz for the bridging hydrido ligands and similar (89)Y NMR shifts of δ=-88.1 ppm (R=CH2SiMe3) and δ=-86.3 ppm (R=Me) in the (89)Y DEPT45 NMR experiments.

  18. GaAs Solar Cells Grown by Hydride Vapor-Phase Epitaxy and the Development of GaInP Cladding Layers

    SciTech Connect

    Simon, John; Schulte, Kevin L.; Young, David L.; Haegel, Nancy M.; Ptak, Aaron J.

    2016-01-01

    The high cost of high-efficiency III-V photovoltaic devices currently limits them to niche markets. Hydride vapor-phase epitaxy (HVPE) growth of III-V materials recently reemerged as a low-cost, high-throughput alternative to conventional metal- organic vapor-phase epitaxy (MOVPE) growth of high-efficiency solar cells. Previously, we demonstrated unpassivated HVPEgrown GaAs p-n junctions with good quantum efficiency and high open-circuit voltage (Voc). In this work, we demonstrate the growth of GaInPby HVPE for use as a high-quality surface passivation layer to GaAs solar cells. Solar cells grown with GaInP window layers show significantly improved quantum efficiency compared with unpassivated cells, increasing the short-circuit current (JSC) of these low-cost devices. These results show the potential of low-cost HVPE for the growth of high-quality III-V devices.

  19. PULSED EDDY CURRENT THICKNESS MEASUREMENT OF SELECTIVE PHASE CORROSION ON NICKEL ALUMINUM BRONZE VALVES

    SciTech Connect

    Krause, T. W.; Harlley, D.; Babbar, V. K.; Wannamaker, K.

    2010-02-22

    Nickel Aluminum Bronze (NAB) is a material with marine environment applications that under certain conditions can undergo selective phase corrosion (SPC). SPC involves the removal of minority elements while leaving behind a copper matrix. Pulsed eddy current (PEC) was evaluated for determination of SPC thickness on a NAB valve section with access from the surface corroded side. A primarily linear response of PEC amplitude, up to the maximum available SPC thickness of 4 mm was observed. The combination of reduced conductivity and permeability in the SPC phase relative to the base NAB was used to explain the observed sensitivity of PEC to SPC thickness variations.

  20. Liquid suspensions of reversible metal hydrides

    DOEpatents

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

    1983-12-08

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

  1. A theoretical evaluation of aluminum gel propellant two-phase flow losses on vehicle performance

    NASA Technical Reports Server (NTRS)

    Mueller, Donn C.; Turns, Stephen R.

    1993-01-01

    A one-dimensional model of a hydrocarbon/Al/O2(gaseous) fueled rocket combustion chamber was developed to study secondary atomization effects on propellant combustion. This chamber model was coupled with a two dimensional, two-phase flow nozzle code to estimate the two-phase flow losses associated with solid combustion products. Results indicate that moderate secondary atomization significantly reduces propellant burnout distance and Al2O3 particle size; however, secondary atomization provides only moderate decreases in two-phase flow induced I(sub sp) losses. Despite these two-phase flow losses, a simple mission study indicates that aluminum gel propellants may permit a greater maximum payload than the hydrocarbon/O2 bi-propellant combination for a vehicle of fixed propellant volume. Secondary atomization was also found to reduce radiation losses from the solid combustion products to the chamber walls, primarily through reductions in propellant burnout distance.

  2. Investigation of phase explosion in aluminum induced by nanosecond double pulse technique

    NASA Astrophysics Data System (ADS)

    Jafarabadi, Marzieh Akbari; Mahdieh, Mohammad Hossein

    2015-08-01

    In this paper, the influence of double pulse technique on phase explosion threshold in laser ablation of an aluminum target is investigated. Single and double pulse laser ablation of aluminum target was performed by a high power Nd:YAG laser beam in ambient air. In the double pulse excitation, the two pulses were from a single laser source which separated by a delay time in the range of 5-20 ns. Measuring ablation depth and rate, the phase explosion threshold was estimated in double pulse configuration as well as in the single pulse regime. The results show that in comparison between single and double pulse regimes, the phase explosion threshold fluence is decreased in double pulse configuration. The lowest phase explosion threshold fluence of 0.9 J/cm2 was obtained at 5 ns delay time. The results also show that plasma shielding effect reduced crater depth at a laser fluence which depended on the laser ablation configuration (single pulse or double pulse). The reduction of crater depth occurs at lower laser fluences for double pulse regime.

  3. Cross-stacked carbon nanotubes assisted self-separation of free-standing GaN substrates by hydride vapor phase epitaxy

    NASA Astrophysics Data System (ADS)

    Wei, Tongbo; Yang, Jiankun; Wei, Yang; Huo, Ziqiang; Ji, Xiaoli; Zhang, Yun; Wang, Junxi; Li, Jinmin; Fan, Shoushan

    2016-06-01

    We report a novel method to fabricate high quality 2-inch freestanding GaN substrate grown on cross-stacked carbon nanotubes (CSCNTs) coated sapphire by hydride vapor phase epitaxy (HVPE). As nanoscale masks, these CSCNTs can help weaken the interface connection and release the compressive stress by forming voids during fast coalescence and also block the propagation of threading dislocations (TDs). During the cool-down process, thermal stress-induced cracks are initiated at the CSCNTs interface with the help of air voids and propagated all over the films which leads to full self-separation of FS-GaN substrate. Raman and photoluminescence spectra further reveal the stress relief and crystalline improvement of GaN with CSCNTs. It is expected that the efficient, low cost and mass-producible technique may enable new applications for CNTs in nitride optoelectronic fields.

  4. Mechanism of light emission and manufacturing process of vertical-type light-emitting diode grown by hydride vapor phase epitaxy

    NASA Astrophysics Data System (ADS)

    Lee, Gang Seok; Jeon, Hunsoo; Ahn, Hyung Soo; Yang, Min; Yi, Sam Nyung; Yu, Young Moon; Lee, Sang Chil; Honda, Yoshio; Sawaki, Nobuhiko; Kim, Suck-Whan

    2017-01-01

    We developed a vertical-type light-emitting diode (LED) in which the substrate is removed using a hydride vapor phase epitaxy (HVPE) apparatus consisting of a multi-graphite boat filled with a mixed source and a high-temperature (T ≈ 900 °C) RF heating coil outside the source zone. The new chip-growth process with a significant reduction in the number of production steps is completed in only four steps, namely, photolithography, epitaxial layer growth, sorting, and metallization. We analyze the emission mechanism of these lights from measurement results to validate the characteristics of the light emitted from these vertical-type blue LEDs and white LEDs (WLEDs) without substrates, and propose that this mixed-source HVPE method may be a promising production technique for LEDs.

  5. Preparation of Ag Schottky contacts on n-type GaN bulk crystals grown in nitrogen rich atmosphere by the hydride vapor phase epitaxy technique

    SciTech Connect

    Stübner, R. Kolkovsky, Vl.; Weber, J.; Leibiger, Gunnar; Habel, Frank

    2014-10-14

    Electrical properties of Schottky contacts on n-type GaN grown in nitrogen rich atmosphere with different N/Ga ratios by hydride vapor phase epitaxy were investigated. We show that tunneling of electrons from the conduction band of GaN to the metal is dominant in our samples. The quality of Schottky contacts does not only depend on surface preparation but also on the growth conditions of the crystals. Schottky contacts on these crystals show an increasing deterioration when higher N/Ga growth ratios are used. We correlate our results with the presence of negatively charged gallium vacancies in the samples. These charges compensate the positively charged donors and lead to a significant increase in series resistance.

  6. Cross-stacked carbon nanotubes assisted self-separation of free-standing GaN substrates by hydride vapor phase epitaxy

    PubMed Central

    Wei, Tongbo; Yang, Jiankun; Wei, Yang; Huo, Ziqiang; Ji, Xiaoli; Zhang, Yun; Wang, Junxi; Li, Jinmin; Fan, Shoushan

    2016-01-01

    We report a novel method to fabricate high quality 2-inch freestanding GaN substrate grown on cross-stacked carbon nanotubes (CSCNTs) coated sapphire by hydride vapor phase epitaxy (HVPE). As nanoscale masks, these CSCNTs can help weaken the interface connection and release the compressive stress by forming voids during fast coalescence and also block the propagation of threading dislocations (TDs). During the cool-down process, thermal stress-induced cracks are initiated at the CSCNTs interface with the help of air voids and propagated all over the films which leads to full self-separation of FS-GaN substrate. Raman and photoluminescence spectra further reveal the stress relief and crystalline improvement of GaN with CSCNTs. It is expected that the efficient, low cost and mass-producible technique may enable new applications for CNTs in nitride optoelectronic fields. PMID:27340030

  7. Low temperature planar regrowth of semi-insulating InP by low pressure hydride vapour phase epitaxy for device application

    NASA Astrophysics Data System (ADS)

    Alexandre, F.; Parillaud, O.; Nguyen, D. C.; Azoulay, R.; Quillec, M.; Bouchoule, S.; Le Mestreallan, G.; Juhel, M.; Le Roux, G.; Rao, E. V. K.

    1998-05-01

    The growth of both undoped and iron doped InP on planar as well as non-planar (0 0 1)InP substrates has been explored using low pressure hydride vapour phase epitaxy (LP-HVPE) in the temperature range of 500-620°C. Secondary ion mass spectroscopy (SIMS), X-ray diffraction and photoluminescence measurements have shown no drastic degradation in the crystal quality with decreasing growth temperature. The Fe incorporation in the layers is found to be independent of the substrate temperature ( Ts) and in all experiments semi-insulating InP : Fe layers with resistivities close to 10 9 Ω cm have been obtained. A perfect growth selectivity with no deposition on masked areas and a good planarized regrowth on mesas has been demonstrated even at low Ts.

  8. Phase transformations of α-alumina made from waste aluminum via a precipitation technique.

    PubMed

    Matori, Khamirul Amin; Wah, Loy Chee; Hashim, Mansor; Ismail, Ismayadi; Zaid, Mohd Hafiz Mohd

    2012-12-07

    We report on a recycling project in which α-Al(2)O(3) was produced from aluminum cans because no such work has been reported in literature. Heated aluminum cans were mixed with 8.0 M of H(2)SO(4) solution to form an Al(2)(SO(4))(3) solution. The Al(2)(SO(4))(3) salt was contained in a white semi-liquid solution with excess H(2)SO(4); some unreacted aluminum pieces were also present. The solution was filtered and mixed with ethanol in a ratio of 2:3, to form a white solid of Al(2)(SO(4))(3)·18H(2)O. The Al(2)(SO(4))(3)·18H(2)O was calcined in an electrical furnace for 3 h at temperatures of 400-1400 °C. The heating and cooling rates were 10 °C /min. XRD was used to investigate the phase changes at different temperatures and XRF was used to determine the elemental composition in the alumina produced. A series of different alumina compositions, made by repeated dehydration and desulfonation of the Al(2)(SO(4))(3)·18H(2)O, is reported. All transitional alumina phases produced at low temperatures were converted to α-Al(2)O(3) at high temperatures. The X-ray diffraction results indicated that the α-Al(2)O(3) phase was realized when the calcination temperature was at 1200 °C or higher.

  9. Phase Transformations of α-Alumina Made from Waste Aluminum via a Precipitation Technique

    PubMed Central

    Matori, Khamirul Amin; Wah, Loy Chee; Hashim, Mansor; Ismail, Ismayadi; Zaid, Mohd Hafiz Mohd

    2012-01-01

    We report on a recycling project in which α-Al2O3 was produced from aluminum cans because no such work has been reported in literature. Heated aluminum cans were mixed with 8.0 M of H2SO4 solution to form an Al2(SO4)3 solution. The Al2(SO4)3 salt was contained in a white semi-liquid solution with excess H2SO4; some unreacted aluminum pieces were also present. The solution was filtered and mixed with ethanol in a ratio of 2:3, to form a white solid of Al2(SO4)3·18H2O. The Al2(SO4)3·18H2O was calcined in an electrical furnace for 3 h at temperatures of 400–1400 °C. The heating and cooling rates were 10 °C/min. XRD was used to investigate the phase changes at different temperatures and XRF was used to determine the elemental composition in the alumina produced. A series of different alumina compositions, made by repeated dehydration and desulfonation of the Al2(SO4)3·18H2O, is reported. All transitional alumina phases produced at low temperatures were converted to α-Al2O3 at high temperatures. The X-ray diffraction results indicated that the α-Al2O3 phase was realized when the calcination temperature was at 1200 °C or higher. PMID:23222685

  10. Elemental Water Impact Test: Phase 2 36-Inch Aluminum Tank Head

    NASA Technical Reports Server (NTRS)

    Vassilakos, Gregory J.

    2014-01-01

    Spacecraft are being designed based on LS-DYNA simulations of water landing impacts. The Elemental Water Impact Test (EWIT) series was undertaken to assess the accuracy of LS-DYNA water impact simulations. EWIT Phase 2 featured a 36-inch aluminum tank head. The tank head was outfitted with one accelerometer, twelve pressure transducers, three string potentiometers, and four strain gages. The tank head was dropped from heights of 1 foot and 2 feet. The focus of this report is the correlation of analytical models against test data. As a measure of prediction accuracy, peak responses from the baseline LS-DYNA model were compared to peak responses from the tests.

  11. Microstructure and Phase Constitution Near the Interface of Explosively Welded Aluminum/Copper Plates

    NASA Astrophysics Data System (ADS)

    Paul, Henryk; Lityńska-Dobrzyńska, Lidia; Prażmowski, Mariusz

    2013-08-01

    The microstructure changes and the phase constitution within the layers close to the bonding interface strongly influence the properties of bimetallic strips. In this work, the layers near the interface of explosively welded aluminum and copper plates were investigated by means of microscopic observations, mostly with the use of transmission electron microscopy (TEM) equipped with energy dispersive spectrometry (EDX). The study was focused on the identification of the intermetallic phases, the possible interdiffusion between the copper and the aluminum, and the changes in the dislocation structure of the parent plates. In macro-/mesoscale, the interfaces were outlined by a characteristic sharp transition indicating that there was no mechanical mixing between the welded metals in the solid state. In micro-/nanoscale, the layers adhering to the interface show typical deformed microstructure features, i.e., structure refinement, elongated dislocation cells, slip bands, and microtwins (in copper plate). The internal microstructure of the intermetallic inclusion is composed mostly of dendrites. The electron diffractions and TEM/EDX chemical composition measurements revealed three crystalline equilibrium phases of the γ-Al4Cu9, η-AlCu, and Θ-Al2Cu type (the last one was dominant). However, most of the observed phases of the general Cu m Al n type (also crystalline) do not appear in the equilibrium Al-Cu phase diagram. Inside the intermetallic inclusions, no significant regularity in the phase distribution with respect to the parent sheets was observed. Therefore, it was concluded that the processes occurring in the melt determined their local chemical composition.

  12. Cast B2-phase iron-aluminum alloys with improved fluidity

    DOEpatents

    Maziasz, Philip J.; Paris, Alan M.; Vought, Joseph D.

    2002-01-01

    Systems and methods are described for iron aluminum alloys. A composition includes iron, aluminum and manganese. A method includes providing an alloy including iron, aluminum and manganese; and processing the alloy. The systems and methods provide advantages because additions of manganese to iron aluminum alloys dramatically increase the fluidity of the alloys prior to solidification during casting.

  13. Precipitation and Deposition of Aluminum-Containing Phases in Tank Wastes

    SciTech Connect

    Dabbs, Daniel M.; Aksay, I.A.

    2005-12-01

    In the first phase of our study, we focused on the use of simple organics to raise the solubility of aluminum oxyhydroxides in high alkaline aqueous solvents. In a limited survey of common organic acids, we determined that citric acid had the highest potential to achieve our goal. However, our subsequent investigation revealed that the citric acid appeared to play two roles in the solutions: first, raising the concentration of aluminum in highly alkaline solutions by breaking up or inhibiting ''seed'' polycations and thereby delaying the nucleation and growth of particles; and second, stabilizing nanometer-sized particles in suspension when nucleation did occur. The results of this work were recently published in Langmuir: D.M. Dabbs, U. Ramachandran, S. Lu, J. Liu, L.-Q. Wang, I.A. Aksay, ''Inhibition of Aluminum Oxyhydroxide Precipitation with Citric Acid'' Langmuir, 21, 11690-11695 (2005). The second phase of our work involved the solvation of silicon, again in solutions of high alkalinity. Citric acid, due to its unfavorable pKa values, was not expected to be useful with silicon-containing solutions. Here, the use of polyols was determined to be effective in maintaining silicon-containing particles under high pH conditions but at smaller size with respect to standard suspensions of silicon-containing particles. There were a number of difficulties working with highly alkaline silicon-containing solutions, particularly in solutions at or near the saturation limit. Small deviations in pH resulted in particle formation or dissolution in the absence of the organic agents. One of the more significant observations was that the polyols appeared to stabilize small particles of silicon oxyhydroxides across a wider range of pH, albeit this was difficult to quantify due to the instability of the solutions.

  14. Nondestructive detection of an undesirable metallic phase, T.sub.1, during processing of aluminum-lithium alloys

    DOEpatents

    Buck, Otto; Bracci, David J.; Jiles, David C.; Brasche, Lisa J. H.; Shield, Jeffrey E.; Chumbley, Leonard S.

    1990-08-07

    A method is disclosed for detecting the T.sub.1 phase in aluminum-lithium alloys through simultaneous measurement of conductivity and hardness. In employing eddy current to measure conductivity, when the eddy current decreases with aging of the alloy, while the hardness of the material continues to increase, the presence of the T.sub.1 phase may be detected.

  15. Properties of nanoscale metal hydrides.

    PubMed

    Fichtner, Maximilian

    2009-05-20

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

  16. Threshold for plasma phase transition of aluminum single crystal induced by hypervelocity impact

    SciTech Connect

    Ju, Yuanyuan; Zhang, Qingming

    2015-12-15

    Molecular dynamics method is used to study the threshold for plasma phase transition of aluminum single crystal induced by hypervelocity impact. Two effective simulation methods, piston-driven method and multi-scale shock technique, are used to simulate the shock wave. The simulation results from the two methods agree well with the experimental data, indicating that the shock wave velocity is linearly dependent on the particle velocity. The atom is considered to be ionized if the increase of its internal energy is larger than the first ionization energy. The critical impact velocity for plasma phase transition is about 13.0 km/s, corresponding to the threshold of pressure and temperature which is about 220 GPa and 11.0 × 10{sup 3 }K on the shock Hugoniot, respectively.

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

    NASA Astrophysics Data System (ADS)

    Fang, Qiang

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

  18. Approach to In- Situ Producing Reinforcing Phase Within an Active-Transient Liquid Phase Bond Seam for Aluminum Matrix Composite

    NASA Astrophysics Data System (ADS)

    Zhang, Guifeng; Liao, Xianjin; Chen, Bo; Zhang, Linjie; Zhang, Jianxun

    2015-06-01

    To optimize the braze composition design route for aluminum matrix composite, the feasibility of in situ producing reinforcing phase within the transient liquid phase bond seam matrix, by adding active melting point increaser (MPI, e.g., Ti) together with general melting point depressant (MPD, e.g., Cu) into the interlayer, was demonstrated. For SiC p /A356 composite, by comparing the wettability, joint microstructure, joint shear strength, and fracture path for the developed Al-19Cu-1Ti, Al-19Cu, Al-33Cu-1Ti, Al-33Cu (wt pct), and commercial Cu foils as interlayer, the feasibility of in situ producing reinforcing phase within the bond seam by adding Ti was demonstrated. Especially for Al-19Cu-1Ti active braze, small and dispersed ternary aluminide of Al-Si-Ti phase was obtained within the bond seam as in situ reinforcement, leading to a favorable fracture path within SiC p /A356, not along the initial interface or within the bond seam. For the formation mechanism of the in situ reinforcing phase of MPI-containing intermetallic compound within the bond seam, a model of repeating concentration-precipitation-termination-engulfment during isothermal solidification is proposed.

  19. Experimental and modelling study of the plasma vapour-phase synthesis of ultrafine aluminum nitride powders

    NASA Astrophysics Data System (ADS)

    da Cruz, Antonio-Carlos

    An experimental and theoretical study of the fundamentals of the vapour phase synthesis of ultrafine aluminum nitride (AIN) particles using thermal plasma was carried out. The study used the concept of a transferred-arc reactor which produces AlN ultrafine powders in two stages: evaporation of aluminum (Al) metal by the transferred-arc in non nitriding conditions; and the reaction between Al vapour and ammonia (NH3) in a separate tubular reactor. A new version of this reactor concept was built in which the transferred-arc chamber and tubular reactor were vertically aligned. This reactor design allowed the study of both radial and axial mixing of ammonia with the plasma chamber off-gas. Ultrafine powders with a specific surface area (SSA) in the range of 38--270 m2/g were produced in two plasma chamber off-gas temperature levels (1800 and 2000 K), with different quenching intensities, and two different plasma gas compositions (pure Ar and Ar/H2 mixture). The dependence of the particle size and composition on the reactor operating conditions was investigated. Depending on the plasma gas composition, two different trends were observed for the SSA as a function of quenching intensity, with the radial injection of NH3. A two-dimensional numerical model was developed for the nucleation and growth of ultrafine particles in this system, using the method of moments. A new equation for the nucleation rate for the AlN system was developed. This equation considers the effect of reaction on the surface of clusters of the new phase. This new modelling approach could explain the trends observed experimentally. The importance of the mechanisms for the gas-to-condensed phase transition in the AlN system were examined. The sinterability of the powder produced was examined. Sintering to full density was achieved at 1550°C. Because of the high oxygen content of the powder, a second phase identified as aluminum oxynitride (ALON) was observed to form.

  20. Phase III Advanced Anodes and Cathodes Utilized in Energy Efficient Aluminum Production Cells

    SciTech Connect

    R.A. Christini; R.K. Dawless; S.P. Ray; D.A. Weirauch, Jr.

    2001-11-05

    During Phase I of the present program, Alcoa developed a commercial cell concept that has been estimated to save 30% of the energy required for aluminum smelting. Phase ii involved the construction of a pilot facility and operation of two pilots. Phase iii of the Advanced Anodes and Cathodes Program was aimed at bench experiments to permit the resolution of certain questions to be followed by three pilot cells. All of the milestones related to materials, in particular metal purity, were attained with distinct improvements over work in previous phases of the program. NiO additions to the ceramic phase and Ag additions to the Cu metal phase of the cermet improved corrosion resistance sufficiently that the bench scale pencil anodes met the purity milestones. Some excellent metal purity results have been obtained with anodes of the following composition: Further improvements in anode material composition appear to be dependent on a better understanding of oxide solubilities in molten cryolite. For that reason, work was commissioned with an outside consultant to model the MeO - cryolite systems. That work has led to a better understanding of which oxides can be used to substitute into the NiO-Fe2O3 ceramic phase to stabilize the ferrites and reduce their solubility in molten cryolite. An extensive number of vertical plate bench electrolysis cells were run to try to find conditions where high current efficiencies could be attained. TiB2-G plates were very inconsistent and led to poor wetting and drainage. Pure TiB2 did produce good current efficiencies at small overlaps (shadowing) between the anodes and cathodes. This bench work with vertical plate anodes and cathodes reinforced the importance of good cathode wetting to attain high current efficiencies. Because of those conclusions, new wetting work was commissioned and became a major component of the research during the third year of Phase III. While significant progress was made in several areas, much work needs to be

  1. A reactive force field for lithium-aluminum silicates with applications to eucryptite phases

    NASA Astrophysics Data System (ADS)

    Narayanan, Badri; van Duin, Adri C. T.; Kappes, Branden B.; Reimanis, Ivar E.; Ciobanu, Cristian V.

    2012-01-01

    We have parameterized a reactive force field (ReaxFF) for lithium-aluminum silicates using density functional theory (DFT) calculations of structural properties of a number of bulk phase oxides, silicates and aluminates, as well as of several representative clusters. The force field parameters optimized in this study were found to predict lattice parameters and heats of formation of selected condensed phases in excellent agreement with previous DFT calculations and with experiments. We have used the newly developed force field to study the eucryptite phases in terms of their thermodynamic stability and their elastic properties. We have found that (a) these ReaxFF parameters predict the correct order of stability of the three crystalline polymorphs of eucryptite, α, β and γ, and (b) that upon indentation, a new phase appears at applied pressures >=7 GPa. The high-pressure phase obtained upon indentation is amorphous, as illustrated by the radial distribution functions calculated for different pairs of elements. In terms of elastic properties analysis, we have determined the elements of the stiffness tensor for α- and β-eucryptite at the level of ReaxFF, and discussed the elastic anisotropy of these two polymorphs. Polycrystalline average properties of these eucryptite phases are also reported to serve as ReaxFF predictions of their elastic moduli (in the case of α-eucryptite), or as tests against values known from experiments or DFT calculations (β-eucrypite). The ReaxFF potential reported here can also describe well single-species systems (e.g. Li-metal, Al-metal and condensed phases of silicon), which makes it suitable for investigating structure and properties of suboxides, atomic-scale mechanisms responsible for phase transformations, as well as oxidation-reduction reactions.

  2. Computational Modeling of Uranium Hydriding and Complexes

    SciTech Connect

    Balasubramanian, K; Siekhaus, W J; McLean, W

    2003-02-03

    Uranium hydriding is one of the most important processes that has received considerable attention over many years. Although many experimental and modeling studies have been carried out concerning thermochemistry, diffusion kinetics and mechanisms of U-hydriding, very little is known about the electronic structure and electronic features that govern the U-hydriding process. Yet it is the electronic feature that controls the activation barrier and thus the rate of hydriding. Moreover the role of impurities and the role of the product UH{sub 3} on hydriding rating are not fully understood. An early study by Condon and Larson concerns with the kinetics of U-hydrogen system and a mathematical model for the U-hydriding process. They proposed that diffusion in the reactant phase by hydrogen before nucleation to form hydride phase and that the reaction is first order for hydriding and zero order for dehydriding. Condon has also calculated and measures the reaction rates of U-hydriding and proposed a diffusion model for the U-hydriding. This model was found to be in excellent agreement with the experimental reaction rates. From the slopes of the Arrhenius plot the activation energy was calculated as 6.35 kcal/mole. In a subsequent study Kirkpatrick formulated a close-form for approximate solution to Condon's equation. Bloch and Mintz have proposed the kinetics and mechanism for the U-H reaction over a wide range of pressures and temperatures. They have discussed their results through two models, one, which considers hydrogen diffusion through a protective UH{sub 3} product layer, and the second where hydride growth occurs at the hydride-metal interface. These authors obtained two-dimensional fits of experimental data to the pressure-temperature reactions. Kirkpatrick and Condon have obtained a linear solution to hydriding of uranium. These authors showed that the calculated reaction rates compared quite well with the experimental data at a hydrogen pressure of 1 atm. Powell

  3. Observation of Solid-Solid Phase Transitions in Ramp-Compressed Aluminum

    NASA Astrophysics Data System (ADS)

    Polsin, D. N.; Boehly, T. R.; Delettrez, J. A.; Gregor, M. C.; McCoy, C. A.; Henderson, B.; Fratanduono, D. E.; Smith, R.; Kraus, R.; Eggert, J. H.; Collins, R.; Coppari, F.; Celliers, P. M.

    2016-10-01

    We present results of experiments using x-ray diffraction to study the crystalline structure of solid aluminum compressed up to 500 GPa. Aluminum is of interest because it is frequently used as a standard material in high-pressure compression experiments. At ambient pressure and temperature, Al is a face-centered cubic close-packed crystal and has been observed to transform to hexagonal close-packed (hcp) when compressed to 200GPa in a diamond anvil cell. It is predicted to transform from hcp to body-centered cubic when compressed to 315GPa. Laser-driven ramp waves will be used to compress Al to various constant-pressure states. The goal is to investigate the Al phase diagram along its isentrope, i.e., at temperatures 1000K and pressures ranging from 200 to 500 GPa. X-ray diffraction will be used to measure the crystalline structure of the compressed Al and observe the transformations that occur at various pressures. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.

  4. Enantiomers separation by nano-liquid chromatography: use of a novel sub-2 μm vancomycin silica hydride stationary phase.

    PubMed

    Rocchi, Silvia; Rocco, Anna; Pesek, Joseph J; Matyska, Maria T; Capitani, Donatella; Fanali, Salvatore

    2015-02-13

    A novel sub-2 μm chiral stationary phase (CSP) was prepared immobilizing vancomycin onto 1.8 μm diol hydride-based silica particles. The CSP was packed into fused silica capillaries of 75 μm i.d. with a length of 11 cm and evaluated by means of nano-liquid chromatography (nano-LC) using model compounds of both pharmaceutical and environmental interest (some non-steroidal anti-inflammatory drugs, β-blockers and herbicides). The study of the effect of the linear velocity of the mobile phase on chromatographic efficiency showed good enantioresolutions up to a value of 5.11 at the optimal linear velocity with efficiencies in terms of number of plates per meter in the range 51,650-68,330. The results were compared with the ones obtained employing 5 μm vancomycin modified diol-silica particles packed in capillaries of the same i.d. For the acidic analytes the sub-2 μm CSP showed better performances, the baseline chiral separation of several studied compounds occurred in an analysis time of less than 3 min. Column-to-column packing reproducibility (n=3) expressed as relative standard deviation was in the range 2.2-5.8% and 0.5-7.7% for retention times and peak areas, respectively.

  5. Mechanical behavior of shock-wave consolidated nano and micron-sized aluminum/silicon carbide and aluminum/aluminum oxide two-phase systems characterized by light and electron metallography

    NASA Astrophysics Data System (ADS)

    Alba-Baena, Noe Gaudencio

    This dissertation reports the results of the exploratory study of two-phase systems consisting of 150 microm diameter aluminum powder mechanically mixed with 30 nm and 30 microm diameter SiC and Al2O3 powders (in volume fractions of 2, 4, and 21 percent). Powders were mechanically mixed and green compacted to ˜80% theorical density in a series of cylindrical fixtures (steel tubes). The compacted arrangements were explosively consolidated using ammonium nitrate-fuel oil (ANFO) to form stacks of two-phase systems. As result, successfully consolidated cylindrical monoliths of 50 mm (height) x 32 mm (in diameter) were obtained. By taking advantage of the use of SWC (shock wave consolidation) and WEDM (wire-electric discharge machining), the heterogeneous systems were machined in a highly efficiency rate. The sample cuts used for characterization and mechanical properties testing, require the use of less that 10cc of each monolith, in consequence there was preserved an average of 60% of the obtained system monoliths. Consolidated test cylinders of the pure Al and two-phase composites were characterized by optical metallography and TEM. The light micrographs for the five explosively consolidated regimes: aluminum powder, nano and micron-sized Al/Al2O3 systems, and the nano and micron-sized Al/SiC systems exhibit similar ductility in the aluminum grains. Low volume fraction systems exhibit small agglomerations at the grain boundaries for the Al/Al2O3 system and the Al/SiC system reveal a well distributed phase at the grain boundaries. Large and partially bonded agglomerations were observable in the nano-sized high volume fraction (21%) systems, while the micron-sized Al/ceramic systems exhibit homogeneous distribution along the aluminum phase grains. TEM images showed the shock-induced dislocation cell structure, which has partially recrystallized to form a nano grain structure in the consolidated aluminum powder. Furthermore, the SiC nano-agglomerates appeared to have

  6. Single-Phase Rare-Earth Oxide/Aluminum Oxide Glasses

    NASA Technical Reports Server (NTRS)

    Weber, J. K. Richard; Abadie, John G.; Hixson, April D.; Nordine, Paul C.

    2006-01-01

    Glasses that comprise rare-earth oxides and aluminum oxide plus, optionally, lesser amounts of other oxides, have been invented. The other oxide(s) can include SiO2, B2O3, GeO2, and/or any of a variety of glass-forming oxides that have been used heretofore in making a variety of common and specialty glasses. The glasses of the invention can be manufactured in bulk single-phase forms to ensure near uniformity in optical and mechanical characteristics, as needed for such devices as optical amplifiers, lasers, and optical waveguides (including optical fibers). These glasses can also be formulated to have high indices of refraction, as needed in some of such devices.

  7. Experimental research of phase transition's kinetics in a liquid melt of high-purity aluminum

    NASA Astrophysics Data System (ADS)

    Vorontsov, V. B.; Zhuravlev, D. V.; Cherepanov, A. S.

    2015-08-01

    This scientific work is devoted to the studying of the genetic connection structures of solid and liquid phases. Fourier analysis of signals of acoustic emission (AE) accompanying melting high purity aluminum from the melting point up to t = 860°C was performed. Based on the results of previous studies cluster formations in the melt - the micro-regions, those retain crystallinity (areas with short-range order of symmetry) were considered as the source of AE. The experimental data allowed to follow the dynamics of disorder zones range order in the melt with increasing melt temperature up to their complete destruction. The presented results of spectral analysis of the signals were analyzed from the standpoint of the theory of cluster melting metals.

  8. Cytotoxic properties of nanostructures based on aluminum oxide and hydroxide phases

    NASA Astrophysics Data System (ADS)

    Lozhkomoev, A. S.

    2016-11-01

    We study cytotoxic properties of low-dimensional nanostructures based on aluminum oxide and hydroxide phases with the morphology of agglomerated crumpled nanosheets. Among them are nanostructures of pseudoboehmite, γ-Al2O3 and θ-Al2O3. Nanostructures of pseudoboehmite synthesized by hydrothermal oxidation of AlN/Al nanoparticles in water. γ-Al2O3 and θ-Al2O3 nanostructures were prepared by heat treatment of pseudoboehmite. The greatest cytotoxic effect is seen for cells in contact with γ-Al2O3. An analysis of properties of the synthesized nanostructures shows that γ-Al2O3 causes a higher increase in pH values of the cell culture medium and neutralizes the acidity to a greater extent.

  9. Crystallization kinetics and phase transformations in aluminum ion-implanted electrospun TiO2 nanofibers

    NASA Astrophysics Data System (ADS)

    Albetran, H.; Low, I. M.

    2016-12-01

    Electrospun TiO2 nanofibers were implanted with aluminum ions, and their crystallization kinetics, phase transformations, and activation energies were investigated from 25 to 900 °C by in situ high-temperature synchrotron radiation diffraction. The amorphous non-implanted and Al ion-implanted TiO2 nanofibers transformed to crystalline anatase at 600 °C and to rutile at 700 °C. The TiO2 phase transformation of the Al ion-implanted material was accelerated relative to non-implanted sample. Compared with non-implanted nanofibers, the Al-implanted materials yielded a decreased activation energies from 69(17) to 29(2) kJ/mol for amorphous-to-anatase transformation and from 112(15) to 129(5) kJ/mol for anatase-to-rutile transformation. A substitution of smaller Al ions for Ti in the TiO2 crystal structure results in accelerated titania phase transformation and a concomitant reduction in the activation energies.

  10. Pole figure measurement of the initial growth of GaN nanoneedles on GaN/Si(111) by using hydride vapor phase epitaxy

    NASA Astrophysics Data System (ADS)

    Jeon, Injun; Lee, Ha Young; Noh, Ji-Yeon; Ahn, Hyung Soo; Yi, Sam Nyung; Jeon, Hunsoo; Shin, Min Jeong; Yu, Young Moon; Ha, Dong Han

    2016-09-01

    We report on crystallographic analyses of one-dimensional GaN nanoneedles grown on a n-GaN epilayer by using hydride vapor phase epitaxy. The nanoneedles were grown with a HCl:NH3 gas flow ratio of 1:38 at 600 °C. The growth time of the GaN nanoneedles affected their morphologies. As time progressed, GaN dots nucleated and then evolved as nanoneedles. The vertical growth rate of GaN nanoneedles was higher than the lateral growth rate under optimized growth conditions. X-ray pole figure measurements were carried out using a four-axis diffractometer. For the sample grown for 20 min, we obtained discrete patterns with six strong dots and weak dough-nut and cotton swab patterns, indicating that most of the nanoneedles were grown ideally, but partially, in the x- y plane with an azimuthal rotation angle ϕ = 15 ~ 45° rotated to the substrate, and a few GaN nanoneedles were tilted by ±4° or by more than 32° from the vertical c-axis.

  11. AlN and AlGaN layers grown on Si(111) substrate by mixed-source hydride vapor phase epitaxy method

    NASA Astrophysics Data System (ADS)

    Jeon, Hunsoo; Jeon, Injun; Lee, Gang Seok; Bae, Sung Geun; Ahn, Hyung Soo; Yang, Min; Yi, Sam Nyung; Yu, Young Moon; Honda, Yoshio; Sawaki, Nobuhiko; Kim, Suck-Whan

    2017-01-01

    High Al-composition AlGaN and AlN epilayers were grown directly on Si(111) substrate by a hydride vapor phase epitaxy (HVPE) method with a melted mixed source in a graphite boat set in a source zone with high temperatures of T = 700 and 800 °C, respectively. The presence of the Ga material in the mixed source of Ga and Al promoted the growth of AlN and AlGaN epilayers in the growth zone. When the temperature in the source zone was 800 °C, the crystalline quality of the AlN and AlGaN epilayers increased as the ratio of Ga to Al increased, and the optimum mix ratio of Ga to Al for the growth of AlN epilayers was approximately 0.35-0.42, obtained from a numerical fitting analysis of the X-ray diffraction (XRD) data for these epilayers. It appears that they can be grown directly by our melted-mixed-source HVPE method in a high-temperature source zone.

  12. Nearly 4-Inch-Diameter Free-Standing GaN Wafer Fabricated by Hydride Vapor Phase Epitaxy with Pit-Inducing Buffer Layer

    NASA Astrophysics Data System (ADS)

    Sato, Tadashige; Okano, Shinya; Goto, Takenari; Yao, Takafumi; Seto, Ritsu; Sato, Akira; Goto, Hideki

    2013-08-01

    A free-standing GaN wafer was fabricated by depositing a GaN buffer that induced the formation of pits (hereafter, pit-inducing GaN buffer) on a low-temperature-grown GaN buffer on the sapphire substrate. A high-temperature-grown GaN layer was grown on the pit-inducing GaN buffer that induced the formation of pits on the high-temperature-grown GaN layer. The pit-inducing buffer suppresses crack formation in the thick GaN film thereby releasing growth stress. Thermal stress in GaN on a sapphire system is also discussed on the basis of calculations utilizing a bilayer model. We have succeeded in the fabrication of a nearly 4-in.-diameter free-standing GaN thick wafer with a pit-inducing GaN buffer by one-stop hydride vapor phase epitaxy, which will lead to a low-cost fabrication of free-standing GaN wafers.

  13. Optical in-situ monitoring system for simultaneous measurement of thickness and curvature of thick layer stacks during hydride vapor phase epitaxy growth of GaN

    NASA Astrophysics Data System (ADS)

    Semmelroth, K.; Berwian, P.; Schröter, C.; Leibiger, G.; Schönleber, M.; Friedrich, J.

    2015-10-01

    For improved real-time process control we integrated a novel optical in-situ monitoring system in a vertical reactor for hydride vapor phase epitaxy (HVPE) growth of gallium nitride (GaN) bulk crystals. The in-situ monitoring system consists of a fiber-optical interferometric sensor in combination with an optimized differential measuring head. The system only needs one small optical path perpendicular to the center of the layer stack typically consisting of sapphire as substrate and GaN. It can handle sample distances up to 1 m without difficulty. The in-situ monitoring system is simultaneously measuring the optical layer thicknesses of the GaN/sapphire layer stack and the absolute change of the distance between the measuring head and the backside of the layer stack. From this data it is possible to calculate the thickness of the growing GaN up to a thickness of about 1000 μm and the absolute change in curvature of the layer stack. The performance of the in-situ monitoring system is shown and discussed based on the measured interference signals recorded during a short-time and a long-time HVPE growth run.

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

    DOEpatents

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

    1997-01-01

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

  15. Synthesis, structure and gas-phase reactivity of the mixed silver hydride borohydride nanocluster [Ag3(μ3-H)(μ3-BH4)LPh3]BF4 (LPh = bis(diphenylphosphino)methane)

    NASA Astrophysics Data System (ADS)

    Zavras, Athanasios; Ariafard, Alireza; Khairallah, George N.; White, Jonathan M.; Mulder, Roger J.; Canty, Allan J.; O'Hair, Richard A. J.

    2015-10-01

    Borohydrides react with silver salts to give products that span multiple scales ranging from discrete mononuclear compounds through to silver nanoparticles and colloids. The cluster cations [Ag3(H)(BH4)L3]+ are observed upon electrospray ionization mass spectrometry of solutions containing sodium borohydride, silver(i) tetrafluoroborate and bis(dimethylphosphino)methane (LMe) or bis(diphenylphosphino)methane (LPh). By adding NaBH4 to an acetonitrile solution of AgBF4 and LPh, cooled to ca. -10 °C, we have been able to isolate the first mixed silver hydride borohydride nanocluster, [Ag3(μ3-H)(μ3-BH4)LPh3]BF4, and structurally characterise it via X-ray crystallography. Combined gas-phase experiments (LMe and LPh) and DFT calculations (LMe) reveal how loss of a ligand from the cationic complexes [Ag3(H)(BH4)L3]+ provides a change in geometry that facilitates subsequent loss of BH3 to produce the dihydride clusters, [Ag3(H)2Ln]+ (n = 1 and 2). Together with the results of previous studies (Girod et al., Chem. - Eur. J., 2014, 20, 16626), this provides a direct link between mixed silver hydride/borohydride nanoclusters, silver hydride nanoclusters, and silver nanoclusters.Borohydrides react with silver salts to give products that span multiple scales ranging from discrete mononuclear compounds through to silver nanoparticles and colloids. The cluster cations [Ag3(H)(BH4)L3]+ are observed upon electrospray ionization mass spectrometry of solutions containing sodium borohydride, silver(i) tetrafluoroborate and bis(dimethylphosphino)methane (LMe) or bis(diphenylphosphino)methane (LPh). By adding NaBH4 to an acetonitrile solution of AgBF4 and LPh, cooled to ca. -10 °C, we have been able to isolate the first mixed silver hydride borohydride nanocluster, [Ag3(μ3-H)(μ3-BH4)LPh3]BF4, and structurally characterise it via X-ray crystallography. Combined gas-phase experiments (LMe and LPh) and DFT calculations (LMe) reveal how loss of a ligand from the cationic complexes [Ag

  16. Heat-mass flow enhancement system for a metal hydride assembly

    NASA Astrophysics Data System (ADS)

    Argabright, T. A.

    1985-02-01

    Southern California Gas Company and Solar Turbines Incorporated are cooperating in the development and demonstration of a metal hydride/chemical heat pump (MHHP). In the design of the MHHP, heat transfer was considered to be the key technical study area. The goal of this effort is improved heat transfer and reduced thermal mass in a hydride heat exchanger/containment assembly. Phase 1 resulted in the detailed design of an advanced hydride heat exchanger. Phase 2 consisted of the experimental verification of the hydride alloy design data, fabrication of the hydride heat exchanger module components, heat transfer testing of the single heat exchanger element and preliminary performance testing of the entire module. Phase 3 was devoted to the complete characterization of the hydride heat exchanger modules through further operation and testing. A review of other possible hydride heat transfer concepts was also conducted in Phase 2.

  17. Elemental Water Impact Test: Phase 3 Plunge Depth of a 36-Inch Aluminum Tank Head

    NASA Technical Reports Server (NTRS)

    Vassilakos, Gregory J.

    2014-01-01

    Spacecraft are being designed based on LS-DYNA water landing simulations. The Elemental Water Impact Test (EWIT) series was undertaken to assess the accuracy of LS-DYNA water impact simulations. Phase 3 featured a composite tank head that was tested at a range of heights to verify the ability to predict structural failure of composites. To support planning for Phase 3, a test series was conducted with an aluminum tank head dropped from heights of 2, 6, 10, and 12 feet to verify that the test article would not impact the bottom of the test pool. This report focuses on the comparisons of the measured plunge depths to LS-DYNA predictions. The results for the tank head model demonstrated the following. 1. LS-DYNA provides accurate predictions for peak accelerations. 2. LS-DYNA consistently under-predicts plunge depth. An allowance of at least 20% should be added to the LS-DYNA predictions. 3. The LS-DYNA predictions for plunge depth are relatively insensitive to the fluid-structure coupling stiffness.

  18. Correlation between the residual stress and the density of threading dislocations in GaN layers grown by hydride vapor phase epitaxy

    NASA Astrophysics Data System (ADS)

    Barchuk, M.; Röder, C.; Shashev, Y.; Lukin, G.; Motylenko, M.; Kortus, J.; Pätzold, O.; Rafaja, D.

    2014-01-01

    The correlation between the residual stress and the density of threading dislocations was investigated in polar GaN layers that were grown by using hydride vapor phase epitaxy (HVPE) on three different GaN templates. The first template type was GaN grown on sapphire by metal-organic vapor phase epitaxy. The second template type was a closed GaN nucleation layer grown on sapphire by HVPE. The third template type was a non-closed GaN nucleation layer grown by HVPE, which formed isolated pyramids on the sapphire surface. The residual stress was determined using the combination of micro-Raman spectroscopy and modified sin2 ψ method. The interplanar spacings needed for the sin2 ψ method were obtained from the reciprocal space maps that were measured using high-resolution X-ray diffraction. The density of threading dislocations was concluded from the broadening of the reciprocal lattice points that was measured using high-resolution X-ray diffraction as well. The fitting of the reciprocal space maps allowed the character of the threading dislocations to be described quantitatively in terms of the fractions of edge and screw dislocations. It was found that the threading dislocation density increases with increasing compressive residual stress. Furthermore, the dislocation density and the residual stress decrease with increasing thickness of the GaN layers. The edge component of the threading dislocations was dominant in all samples. Still, some differences in the character of the dislocations were observed for different templates.

  19. Process for production of a metal hydride

    SciTech Connect

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

    2014-08-12

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

  20. Spin Forming Aluminum Crew Module (CM) Metallic Aft Pressure Vessel Bulkhead (APVBH) - Phase II

    NASA Technical Reports Server (NTRS)

    Hoffman, Eric K.; Domack, Marcia S.; Torres, Pablo D.; McGill, Preston B.; Tayon, Wesley A.; Bennett, Jay E.; Murphy, Joseph T.

    2015-01-01

    The principal focus of this project was to assist the Multi-Purpose Crew Vehicle (MPCV) program in developing a spin forming fabrication process for manufacture of the Orion crew module (CM) aft pressure vessel bulkhead. The spin forming process will enable a single piece aluminum (Al) alloy 2219 aft bulkhead resulting in the elimination of the current multiple piece welded construction, simplify CM fabrication, and lead to an enhanced design. Phase I (NASA TM-2014-218163, (1)) of this assessment explored spin forming the single-piece CM forward pressure vessel bulkhead. The MPCV Program and Lockheed Martin (LM) recently made two critical decisions relative to the NESC Phase I work scope: (1) LM selected the spin forming process to manufacture a singlepiece aft bulkhead for the Orion CM, and (2) the aft bulkhead will be manufactured from Al 2219. Based on the Program's new emphasis related to the spin forming process, the NESC was asked to conduct a Phase II assessment to assist in the LM manufacture of the aft bulkhead and to conduct a feasibility study into spin forming the Orion CM cone. This activity was approved on June 19, 2013. Dr. Robert Piascik, NASA Technical Fellow for Materials at the Langley Research Center (LaRC), was selected to lead this assessment. The project plan was approved by the NASA Engineering and Safety Center (NESC) Review Board (NRB) on July 18, 2013. The primary stakeholders for this assessment are the NASA and LM MPCV Program offices. Additional benefactors are commercial launch providers developing CM concepts.

  1. Spin Forming Aluminum Crew Module (CM) Metallic Aft Pressure Vessel Bulkhead (APVBH) - Phase II

    NASA Technical Reports Server (NTRS)

    Hoffman, Eric K.; Domack, Marcia S.; Torres, Pablo D.; McGill, Preston B.; Tayon, Wesley A.; Bennett, Jay E.; Murphy, Joseph T.

    2015-01-01

    The principal focus of this project was to assist the Multi-Purpose Crew Vehicle (MPCV) Program in developing a spin forming fabrication process for manufacture of the Orion crew module (CM) aft pressure vessel bulkhead. The spin forming process will enable a single piece aluminum (Al) alloy 2219 aft bulkhead resulting in the elimination of the current multiple piece welded construction, simplify CM fabrication, and lead to an enhanced design. Phase I (NASA TM-2014-218163 (1)) of this assessment explored spin forming the single-piece CM forward pressure vessel bulkhead. The Orion MPCV Program and Lockheed Martin (LM) recently made two critical decisions relative to the NESC Phase I work scope: (1) LM selected the spin forming process to manufacture a single-piece aft bulkhead for the Orion CM, and (2) the aft bulkhead will be manufactured from Al 2219. Based on the Program's new emphasis related to the spin forming process, the NESC was asked to conduct a Phase II assessment to assist in the LM manufacture of the aft bulkhead and to conduct a feasibility study into spin forming the Orion CM cone. This activity was approved on June 19, 2013. Dr. Robert Piascik, NASA Technical Fellow for Materials at the Langley Research Center (LaRC), was selected to lead this assessment. The project plan was approved by the NASA Engineering and Safety Center (NESC) Review Board (NRB) on July 18, 2013. The primary stakeholders for this assessment were the NASA and LM MPCV Program offices. Additional benefactors are commercial launch providers developing CM concepts.

  2. The Use of Sodium Chloride & Aluminum as Phase Change Materials for High Temperature Thermal Energy Storage Characterized by Calorimetry

    NASA Astrophysics Data System (ADS)

    Solomon, Laura

    2013-01-01

    Encapsulated phase change materials (EPCM) have a great deal of potential for the storage of thermal energy in a wide range of applications. The present work is aimed at developing encapsulated phase change materials capable of storing thermal energy at temperatures above 700°C for use in concentrated solar power (CSP) systems. EPCM with a phase change material (PCM) with both a salt (sodium chloride) and a metal (aluminum) are considered here. Sodium chloride and aluminum are effective storage mediums because of their high melting points and large latent heats of fusion, 800°C and 660°C and 430kJ/kg and 397kJ/kg, respectively. Based on the heat capacities and the latent heat of fusion, for a 100 degree temperature range centered on the melting point of the PCM, 80% of the energy stored by the sodium chloride PCM can be attributed to the latent heat and 79% for the aluminum PCM. These large fractions attributed to latent heat have the potential for making EPCM based thermal energy storage devices smaller and less expensive. To study the performance of the candidate PCMs considered here, a specialized immersion calorimeter was designed, calibrated, and used to evaluate the storage capabilities of sodium chloride and aluminum based EPCMs. Additionally, the EPCMs were studied to ensure no loss of capacity would occur over the lifetime of the EPCM. While no reduction in the storage capacity of the sodium chloride EPCMs was found after repeated thermal cycles, there was a decrease in the storage capacity of the aluminum EPCMs after prolonged exposure to high temperatures.

  3. Chemistry of intermetallic hydrides

    SciTech Connect

    Reilly, J.J.

    1991-01-01

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

  4. Prospects of pulse phase thermography for finding disbonds in CFRP-sandwich parts with aluminum honeycomb cores compared to ultrasonic

    NASA Astrophysics Data System (ADS)

    Gruber, J.; Stotter, B.; Mayr, G.; Hendorfer, G.

    2013-01-01

    This work shows the prospects of pulse phase thermography (PPT) compared to ultrasonic testing when applied to carbon fiber reinforced polymer (CFRP) sandwich parts with aluminum honeycomb cores. Measurements were carried out on full-scale components with flaws like disbonds, septum disbonds, staggers and displaced cores, where the last two are not literally flaws, but nevertheless regions of interest. The effect of the measurement time and the feasibility of extrapolating temperature decays were evaluated. Phase images, gathered with PPT, are compared with ultrasonic Cscan images to show the capability of PPT for quality assurance purposes. Finally, the saving on inspection time when using pulse phase thermography instead of ultrasonic testing is considered.

  5. Solid phase extraction-spectrophotometric determination of dissolved aluminum in soil extracts and ground waters.

    PubMed

    Luo, Mingbiao; Bi, Shuping

    2003-09-15

    An on-line solid-phase extraction (SPE) technique, linked to spectrophotometry, has been developed to overcome the problem of high matrix concentration, which is thought to interfere with the determination of low levels of aluminum (Al) in environmental samples. Tiron modified resin was prepared and used as a SPE absorbent, which can quantitatively adsorb Al(III) at pH 4-6 with an adsorption capacity of 5.6 mg g(-1) resin. The main advantages of this novel method are: (1) a much higher sensitivity has been obtained by SPE technology; and (2) a large amount of Na(+), K(+), Ca(2+) and Mg(2+) can be removed and the interference of Fe(III), Mn(II) and F(-) can be efficiently eliminated by eluting with 0.25 mol l(-1) NaOH. It is a highly selective and sensitive method for simple and quick determination of dissolved Al in soil extracts and ground waters, particularly suitable for the analysis of complex environmental samples.

  6. Hydride generation coupled to microfunnel-assisted headspace liquid-phase microextraction for the determination of arsenic with UV-Vis spectrophotometry.

    PubMed

    Hashemniaye-Torshizi, Reihaneh; Ashraf, Narges; Arbab-Zavar, Mohammad Hossein

    2014-12-01

    In this research, a microfunnel-assisted headspace liquid-phase microextraction technique has been used in combination with hydride generation to determine arsenic (As) by UV-Vis spectrophotometry. The method is based on the reduction of As to arsine (AsH3) in acidic media by sodium tetrahydroborate (NaBH4) followed by its subsequent reaction with silver diethyldithiocarbamate (AgDDC) to give an absorbing complex at 510 nm. The complexing reagent (AgDDC) has been dissolved in a 1:1 (by the volume ratio) mixture of chloroform/chlorobenzene microdroplet and exposed to the generated gaseous arsine via a reversed microfunnel in the headspace of the sample solution. Several operating parameters affecting the performance of the method have been examined and optimized. Acetonitrile solvent has been added to the working samples as a sensitivity enhancement agent. Under the optimized operating conditions, the detection limit has been measured to be 0.2 ng mL(-1) (based on 3sb/m criterion, n b = 8), and the calibration curve was linear in the range of 0.5-12 ng mL(-1). The relative standard deviation for eight replicate measurements was 1.9 %. Also, the effects of several potential interferences have been studied. The accuracy of the method was validated through the analysis of JR-1 geological standard reference material. The method has been successfully applied for the determination of arsenic in raw and spiked soft drink and water samples with the recoveries that ranged from 91 to 106 %.

  7. Critical issues for homoepitaxial GaN growth by molecular beam epitaxy on hydride vapor-phase epitaxy-grown GaN substrates

    NASA Astrophysics Data System (ADS)

    Storm, D. F.; Hardy, M. T.; Katzer, D. S.; Nepal, N.; Downey, B. P.; Meyer, D. J.; McConkie, Thomas O.; Zhou, Lin; Smith, David J.

    2016-12-01

    While the heteroepitaxial growth of gallium nitride-based materials and devices on substrates such as SiC, sapphire, and Si has been well-documented, the lack of a cost-effective source of bulk GaN crystals has hindered similar progress on homoepitaxy. Nevertheless, freestanding GaN wafers are becoming more widely available, and there is great interest in growing GaN films and devices on bulk GaN substrates, in order to take advantage of the greatly reduced density of threading dislocations, particularly for vertical devices. However, homoepitaxial GaN growth is far from a trivial task due to the reactivity and different chemical sensitivities of N-polar (000_1) and Ga-polar (0001) GaN surfaces, which can affect the microstructure and concentrations of impurities in homoepitaxial GaN layers. In order to achieve high quality, high purity homoepitaxial GaN, it is necessary to investigate the effect of the ex situ wet chemical clean, the use of in situ cleaning procedures, the sensitivity of the GaN surface to thermal decomposition, and the effect of growth temperature. We review the current understanding of these issues with a focus on homoepitaxial growth of GaN by molecular beam epitaxy (MBE) on c-plane surfaces of freestanding GaN substrates grown by hydride vapor phase epitaxy (HVPE), as HVPE-grown substrates are most widely available. We demonstrate methods for obtaining homoepitaxial GaN layers by plasma-assisted MBE in which no additional threading dislocations are generated from the regrowth interface and impurity concentrations are greatly reduced.

  8. Regenerative Hydride Heat Pump

    NASA Technical Reports Server (NTRS)

    Jones, Jack A.

    1992-01-01

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

  9. Phase transformations during the interaction of Nb2O5 and FeNb2O6 with aluminum

    NASA Astrophysics Data System (ADS)

    Mansurova, A. N.; Chumarev, V. M.; Leont'ev, L. I.; Gulyaeva, R. I.; Sel'menskikh, N. I.

    2012-11-01

    The phase transformations that occur during the interaction of niobium pentoxide and iron niobate with aluminum are studied by differential scanning calorimetry, X-ray diffraction analysis and electronprobe microanalysis. The sequence of the formation of intermediate phases based on an NbO2 solid solution is revealed. It is shown that the reduction of niobium from Nb2O5 is hindered by the formation of hard-to-reduce oxides Al2O3 · 25Nb2O5, Al2O3 · 9Nb2O5 and AlNbO4. The interaction of FeNb2O6 with aluminum is accompanied by the formation of [(Fe,Nb)O2]s.s and NbO2 solid solutions.

  10. Hydride heat pump

    DOEpatents

    Cottingham, James G.

    1977-01-01

    Method and apparatus for the use of hydrides to exhaust heat from one temperature source and deliver the thermal energy extracted for use at a higher temperature, thereby acting as a heat pump. For this purpose there are employed a pair of hydridable metal compounds having different characteristics working together in a closed pressure system employing a high temperature source to upgrade the heat supplied from a low temperature source.

  11. ORNL Interim Progress Report on Hydride Reorientation CIRFT Tests

    SciTech Connect

    Wang, Jy-An John; Yan, Yong; Wang, Hong

    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

  12. High H- ionic conductivity in barium hydride

    NASA Astrophysics Data System (ADS)

    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.

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

    DOEpatents

    Katz, N.H.

    1973-12-01

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

  14. Aluminum alloy

    NASA Technical Reports Server (NTRS)

    Blackburn, Linda B. (Inventor); Starke, Edgar A., Jr. (Inventor)

    1989-01-01

    This invention relates to aluminum alloys, particularly to aluminum-copper-lithium alloys containing at least about 0.1 percent by weight of indium as an essential component, which are suitable for applications in aircraft and aerospace vehicles. At least about 0.1 percent by weight of indium is added as an essential component to an alloy which precipitates a T1 phase (Al2CuLi). This addition enhances the nucleation of the precipitate T1 phase, producing a microstructure which provides excellent strength as indicated by Rockwell hardness values and confirmed by standard tensile tests.

  15. System integration and demonstration of adhesive bonded high temperature aluminum alloys for aerospace structure, phase 2

    NASA Technical Reports Server (NTRS)

    Falcone, Anthony; Laakso, John H.

    1993-01-01

    Adhesive bonding materials and processes were evaluated for assembly of future high-temperature aluminum alloy structural components such as may be used in high-speed civil transport aircraft and space launch vehicles. A number of candidate high-temperature adhesives were selected and screening tests were conducted using single lap shear specimens. The selected adhesives were then used to bond sandwich (titanium core) test specimens, adhesive toughness test specimens, and isothermally aged lap shear specimens. Moderate-to-high lap shear strengths were obtained from bonded high-temperature aluminum and silicon carbide particulate-reinforced (SiC(sub p)) aluminum specimens. Shear strengths typically exceeded 3500 to 4000 lb/in(sup 2) and flatwise tensile strengths exceeded 750 lb/in(sup 2) even at elevated temperatures (300 F) using a bismaleimide adhesive. All faceskin-to-core bonds displayed excellent tear strength. The existing production phosphoric acid anodize surface preparation process developed at Boeing was used, and gave good performance with all of the aluminum and silicon carbide particulate-reinforced aluminum alloys investigated. The results of this program support using bonded assemblies of high-temperature aluminum components in applications where bonding is often used (e.g., secondary structures and tear stoppers).

  16. High-pressure synthesis of noble metal hydrides

    NASA Astrophysics Data System (ADS)

    Donnerer, Christian; Scheler, Thomas; Gregoryanz, Eugene

    2013-04-01

    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.

  17. High-pressure synthesis of noble metal hydrides.

    PubMed

    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.

  18. Synthesis and properties of platinum hydride

    NASA Astrophysics Data System (ADS)

    Scheler, Thomas; Degtyareva, Olga; Marqués, Miriam; Guillaume, Christophe L.; Proctor, John E.; Evans, Shaun; Gregoryanz, Eugene

    2011-06-01

    Synchrotron x-ray diffraction experiments on compressed platinum-hydrogen mixtures reveal the formation of platinum hydride at a pressure of 27(1) GPa at room temperature. This compound exhibits two phases, PtH-I and PtH-II, coexisting up to the pressure of 42 GPa, above which the single phase of PtH-II is observed. Pt atoms in the PtH-II phase are shown to form a hexagonal closed-packed structure. This phase exhibits a high bulk modulus of 310 (10) GPa and is stable up to at least 53 GPa. Ab initio calculations show that PtH-II is superconducting with Tc = 12 K at 90 GPa, the highest temperature of superconducting transition among any known metal hydride.

  19. Results of NDE Technique Evaluation of Clad Hydrides

    SciTech Connect

    Kunerth, Dennis C.

    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

  20. Spray forming -- Aluminum: Third annual report (Phase 2). Technical progress -- Summary

    SciTech Connect

    Kozarek, R.L.

    1998-04-20

    Commercial production of aluminum sheet and plate by spray atomization and deposition is a potentially attractive manufacturing alternative to conventional ingot metallurgy/hot-milling and to continuous casting processes because of reduced energy requirements and reduced cost. To realize the full potential of the technology, the Aluminum Company of America (Alcoa), under contract by the US Department of Energy, is investigating currently available state-of-the-art atomization devices to develop nozzle design concepts whose spray characteristics are tailored for continuous sheet production. This third technical progress report will summarize research and development work conducted during the period 1997 October through 1998 March. Included are the latest optimization work on the Alcoa III nozzle, results of spray forming runs with 6111 aluminum alloy and preliminary rolling trials of 6111 deposits.

  1. Hydrated hydride anion clusters

    NASA Astrophysics Data System (ADS)

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

    2007-10-01

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

  2. Fabrication and Structure Characterization of Alumina-Aluminum Interpenetrating Phase Composites

    NASA Astrophysics Data System (ADS)

    Dolata, Anna J.

    2016-08-01

    Alumina-Aluminum composites with interpenetrating networks structure belong to advanced materials with potentially better properties when compared with composites reinforced by particles or fibers. The paper presents the experimental results of fabrication and structure characterization of Al matrix composites locally reinforced via Al2O3 ceramic foam. The composites were obtained using centrifugal infiltration of porous ceramics by liquid aluminum alloy. Both scanning electron microscopy (SEM + EDS) and x-ray tomography were used to determine the structure of foams and composites especially in reinforced areas. The quality of castings, degree of pore filling in ceramic foams by Al alloy, and microstructure in area of interface were assessed.

  3. Structural Characterization of Metal Hydrides for Energy Applications

    NASA Astrophysics Data System (ADS)

    George, Lyci

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

  4. Boron hydride polymer coated substrates

    DOEpatents

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

    1986-08-27

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

  5. Boron hydride polymer coated substrates

    DOEpatents

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

    1987-01-01

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

  6. The development of lightweight hydride alloys based on magnesium

    SciTech Connect

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

    1996-02-01

    The development of a magnesium based hydride material is explored for use as a lightweight hydrogen storage medium. It is found that the vapor transport of magnesium during hydrogen uptake greatly influences the surface and hydride reactions in these alloys. This is exploited by purposely forming near-surface phases of Mg{sub 2}Ni on bulk Mg-Al-Zn alloys which result in improved hydrogen adsorption and desorption behavior. Conditions were found where these near-surface reactions yielded a complex and heterogeneous microstructure that coincided with excellent bulk hydride behavior. A Mg-Al alloy hydride is reported with near atmospheric plateau pressures at temperatures below 200{degrees}C. Additionally, a scheme is described for low temperature in-situ fabrication of Mg{sub 2}Ni single phase alloys utilizing the high vapor pressure of Mg.

  7. Solution phase synthesis of aluminum-doped silicon nanoparticles via room-temperature, solvent based chemical reduction of silicon tetrachloride

    NASA Astrophysics Data System (ADS)

    Mowbray, Andrew James

    We present a method of wet chemical synthesis of aluminum-doped silicon nanoparticles (Al-doped Si NPs), encompassing the solution-phase co-reduction of silicon tetrachloride (SiCl4) and aluminum chloride (AlCl 3) by sodium naphthalide (Na[NAP]) in 1,2-dimethoxyethane (DME). The development of this method was inspired by the work of Baldwin et al. at the University of California, Davis, and was adapted for our research through some noteworthy procedural modifications. Centrifugation and solvent-based extraction techniques were used throughout various stages of the synthesis procedure to achieve efficient and well-controlled separation of the Si NP product from the reaction media. In addition, the development of a non-aqueous, formamide-based wash solution facilitated simultaneous removal of the NaCl byproduct and Si NP surface passivation via attachment of 1-octanol to the particle surface. As synthesized, the Si NPs were typically 3-15 nm in diameter, and were mainly amorphous, as opposed to crystalline, as concluded from SAED and XRD diffraction pattern analysis. Aluminum doping at various concentrations was accomplished via the inclusion of aluminum chloride (AlCl3); which was in small quantities dissolved into the synthesis solution to be reduced alongside the SiCl4 precursor. The introduction of Al into the chemically-reduced Si NP precipitate was not found to adversely affect the formation of the Si NPs, but was found to influence aspects such as particle stability and dispersibility throughout various stages of the procedure. Analytical techniques including transmission electron microscopy (TEM), FTIR spectroscopy, and ICP-optical emission spectroscopy were used to comprehensively characterize the product NPs. These methods confirm both the presence of Al and surface-bound 1-octanol in the newly formed Si NPs.

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

    NASA Technical Reports Server (NTRS)

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

    1991-01-01

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

  9. Advanced powder metallurgy aluminum alloys via rapid solidification technology, phase 2

    NASA Technical Reports Server (NTRS)

    Ray, Ranjan; Jha, Sunil C.

    1987-01-01

    Marko's rapid solidification technology was applied to processing high strength aluminum alloys. Four classes of alloys, namely, Al-Li based (class 1), 2124 type (class 2), high temperature Al-Fe-Mo (class 3), and PM X7091 type (class 4) alloy, were produced as melt-spun ribbons. The ribbons were pulverized, cold compacted, hot-degassed, and consolidated through single or double stage extrusion. The mechanical properties of all four classes of alloys were measured at room and elevated temperatures and their microstructures were investigated optically and through electron microscopy. The microstructure of class 1 Al-Li-Mg alloy was predominantly unrecrystallized due to Zr addition. Yield strengths to the order of 50 Ksi were obtained, but tensile elongation in most cases remained below 2 percent. The class 2 alloys were modified composition of 2124 aluminum alloy, through addition of 0.6 weight percent Zr and 1 weight percent Ni. Nickel addition gave rise to a fine dispersion of intermetallic particles resisting coarsening during elevated temperature exposure. The class 2 alloy showed good combination of tensile strength and ductility and retained high strength after 1000 hour exposure at 177 C. The class 3 Al-Fe-Mo alloy showed high strength and good ductility both at room and high temperatures. The yield and tensile strength of class 4 alloy exceeded those of the commercial 7075 aluminum alloy.

  10. Electrochemical process and production of novel complex hydrides

    DOEpatents

    Zidan, Ragaiy

    2013-06-25

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

  11. Porous polymer nanostructures fabricated by the surface-induced phase separation of polymer solutions in anodic aluminum oxide templates.

    PubMed

    Wei, Tzu-Hui; Chi, Mu-Huan; Tsai, Chia-Chan; Ko, Hao-Wen; Chen, Jiun-Tai

    2013-08-13

    We study the formation of porous polymer nanostructures fabricated by the surface-induced phase separation of polymer solutions in anodic aluminum oxide (AAO) templates. Poly(methyl methacrylate) (PMMA) and tetrahydrofuran (THF) are used to investigate the evolution process of the surface-induced phase separation. With the longer immersion time of the AAO template in the polymer solution, the size of the solvent-rich droplet is increased by the coarsening process, resulting in the formation of porous polymer nanostructures. The coarsening mechanism is further evaluated by changing the experimental parameters including the immersion time, the polymer concentration, the polymer molecular weight, and the solvent quality. Under conditions in which polymer solutions have higher viscosities, the coarsening process is slowed down and the formation of the porous nanostructures is prohibited. The prevention of the porous nanostructures can also be realized by adding water to the PMMA/THF solution before the immersion process.

  12. Phase transformation and its role in stabilizing simulated lead-laden sludge in aluminum-rich ceramics.

    PubMed

    Lu, Xingwen; Shih, Kaimin

    2011-10-15

    This study investigated the mechanisms of stabilizing lead-laden sludge by blending it into the production process of aluminum-rich ceramics, and quantitatively evaluated the prolonged leachability of the product phases. Sintering experiments were performed using powder mixtures of lead oxide and γ-alumina with different Pb/Al molar ratios within the temperature range of 600-1000 °C. By mixing lead oxide with γ-alumina at a Pb/Al molar ratio of 0.5, the formation of PbAl2O4 is initiated at 700 °C, but an effective formation was observed when the temperature was above 750 °C for a 3-h sintering time. The formation and decomposition of the intermediate phase, Pb9Al8O21, was detected in this system within the temperature range of 800-900 °C. When the lead oxide and γ-alumina mixture was sintered with a Pb/Al molar ratio of 1:12, the PbAl12O19 phase was found at 950 °C and effectively formed at 1000 °C. In this system, an intermediate phase Pb3(CO3)2(OH)2 was observed at the temperature range of 700-950 °C. Over longer leaching periods, both PbAl2O4 and PbAl12O19 were superior to lead oxide in immobilizing lead. Comparing the leaching results of PbAl2O4 and PbAl12O19 demonstrated the higher intrinsic resistance of PbAl12O19 against acid attack. To reduce metal mobility, this study demonstrated a preferred mechanism of stabilizing lead in the aluminate structures by adding metal-bearing waste sludge to the ceramic processing of aluminum-rich products.

  13. Doping of AlH3 with alkali metal hydrides for enhanced decomposition kinetics

    NASA Astrophysics Data System (ADS)

    Sandrock, Gary; Reilly, James

    2005-03-01

    Aluminum hydride, AlH3, has inherently high gravimetric and volumetric properties for onboard vehiclular hydrogen storage (10 wt% H2 and 0.148 kg H2/L). Yet it has been widely neglected because of its kinetic limitations for low-temperature H2 desorption and the thermodynamic difficulties associated with recharging. This paper considers a scenario whereby doped AlH3 is decomposed onboard and recharged offboard. In particular, we show that particle size control and doping with small levels of alkali metal hydrides (e.g., LiH) results in accelerated H2 desorption rates nearly high enough to supply fuel-cell and ICE vehicles. The mechanism of enhanced H2 desorption is associated with the formation of alanate windows (e.g., LiAlH4) between the AlH3 particles and the external gas phase. These alanate windows can be doped with Ti to further enhance transparency, even to the point of accomplishing slow decomposition of AlH3 at room temperature. It is highly likely 2010 gravimetric and volumetric vehicular system targets (6 wt% H2 and 0.045 kg/L) can be met with AlH3. But a new, low-cost method of offboard regeneration of spent Al back to AlH3 is yet needed.

  14. Phase Transformation Behavior of Medium Manganese Steels with 3 Wt Pct Aluminum and 3 Wt Pct Silicon During Intercritical Annealing

    NASA Astrophysics Data System (ADS)

    Sun, Binhan; Fazeli, Fateh; Scott, Colin; Yue, Stephen

    2016-10-01

    Medium manganese steels alloyed with sufficient aluminum and silicon amounts contain high fractions of retained austenite adjustable to various transformation-induced plasticity/twinning-induced plasticity effects, in addition to a reduced density suitable for lightweight vehicle body-in-white assemblies. Two hot rolled medium manganese steels containing 3 wt pct aluminum and 3 wt pct silicon were subjected to different annealing treatments in the present study. The evolution of the microstructure in terms of austenite transformation upon reheating and the subsequent austenite decomposition during quenching was investigated. Manganese content of the steels prevailed the microstructural response. The microstructure of the leaner alloy with 7 wt pct Mn (7Mn) was substantially influenced by the annealing temperature, including the variation of phase constituents, the morphology and composition of intercritical austenite, the Ms temperature and the retained austenite fraction. In contrast, the richer variant 10 wt pct Mn steel (10Mn) exhibited a substantially stable ferrite-austenite duplex phase microstructure containing a fixed amount of retained austenite which was found to be independent of the variations of intercritical annealing temperature. Austenite formation from hot band ferrite-pearlite/bainite mixtures was very rapid during annealing at 1273 K (1000 °C), regardless of Mn contents. Austenite growth was believed to be controlled at early stages by carbon diffusion following pearlite/bainite dissolution. The redistribution of Mn in ferrite and particularly in austenite at later stages was too subtle to result in a measureable change in austenite fraction. Further, the hot band microstructure of both steels contained a large fraction of coarse-grained δ-ferrite, which remained almost unchanged during intercritical annealing. A recently developed thermodynamic database was evaluated using the experimental data. The new database achieved a better agreement

  15. Method for preparing porous metal hydride compacts

    DOEpatents

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

    1981-01-01

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

  16. Method for preparing porous metal hydride compacts

    DOEpatents

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

    1980-01-21

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

  17. Superstoichiometric hydride of zirconium

    SciTech Connect

    Kupryazhkin, A.Ya.; Shchepetkin, A.A.; Zabolotskaya, E.V.; Pletnev, R.N.; Alyamovskii, S.I.; Kitaev, G.A.

    1987-12-01

    Superstoichiometric hydrides of zirconium have been obtained all the way up to the composition ZrH/sub 2.4/ by additional hydrogenation of ZrH/sub 2/ as a result of redistribution of hydrogen atoms between t- and o-positions. In the preparation of the hydrides the authors used zirconium iodide with an impurity content no greater than 10/sup -2/ to 10/sup -2/ mole %; the hydrogen and helium used in this work had a minimum purity of 99.95%. The content of hydrogen in the specimens was determined by a volumetric method. The x-ray diffraction analysis was performed in a DRON-2.0 unit (CuK/sub ..cap alpha../ radiation). PMR spectra were recorded in a broad-line spectrometer in the temperature interval 150-450 K.

  18. Hydrogen Outgassing from Lithium Hydride

    SciTech Connect

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

    2006-04-20

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

  19. Energy Efficient Aluminum Production - Pilot-Scale Cell Tests - Final Report for Phase I and Phase II

    SciTech Connect

    R. A. Christini

    1999-12-30

    A cermet anode that produces oxygen and a cathode material that is wetted by aluminum can provide a dimensionally stable inter-electrode distance in the Hall-Heroult cell. This can be used to greatly improve the energy and/or productivity efficiencies. The concept, which was developed and tested, uses a system of vertically interleaved anodes and cathodes. The major advantage of this concept is the significant increase in electrochemical surface area compared to a horizontal orientation of anode and cathode that is presently used in the Hall-Heroult process. This creates an additional advantage for energy reduction of 1.3 kWh/lb or a 20% productivity improvement. The voltages obtained in an optimized cell test met the energy objectives of the project for at least two weeks. An acceptable current efficiency was never proven, however, during either pilot scale or bench scale tests with the vertical plate configuration. This must be done before a vertical cell can be considered viab le. Anode corrosion rate must be reduced by at least a factor of three in order to produce commercial purity aluminum. It is recommended that extensive theoretical and bench scale investigations be done to improve anode materials and to demonstrate acceptable current efficiencies in a vertical plate cell before pilot scale work is continued.

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

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

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

  1. Computer-Aided Design and Manufacturing for Extrusion of Aluminum, Titanium, and Steel Structural Parts (Phase I)

    DTIC Science & Technology

    1976-03-01

    Indirect Extrusion of Aluminum Alloys without a Lubricant 1-4 1-2. Relation Between Extrusion Rate and Flow Stress for Various Aluminum Alloy...RELATION BETWEEN EXTRUSION RATE AND FLOW STRESS FOR VARIOUS ALUMINUM ALLOYS*** 1-6 By far, the greater proportion of all Aluminum extrusions consists of...for extrusion, can cause ruptures on the surface of the extrusion, and even local melting in the extru- ded material. To overcome this problem

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

    SciTech Connect

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

    2012-10-23

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

  3. The Titanium-Aluminum Phase Diagram. A Review of the Near Ti-50 At.% Al Phase Fields

    DTIC Science & Technology

    1992-07-01

    wwr O ~r, iv i nq rund . Drugwa y, ’: T i - ATTN: ’,rhrin ir , 1 r- i r’, 7-r (ni ic i cr ro r-ra t i o i A) iv 1 111 Ii rijo f Oilj’ , Hi r r i i rrri...DISPOSIT ON INSTRUCTIONS Oestrov this reort when it is no ongs needed. O not return it to the ortgonstor UNCLASSIFIED SECURITY CLASSIFICATION OF THIS PAGE...ATOMIC PER CENT ALUMINUM .0 10o W0 40 50 60 ඎ an an IrV -OC u R - I I I " " ~~~7 +La j.. Lii 800 a Ti A 13fLJUa T60C1 400 ~~~-TA 3 A 0 o 10 20 30 40

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

    NASA Astrophysics Data System (ADS)

    Zhou, Chengshang

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

  5. Tellurium Hydrides at High Pressures: High-Temperature Superconductors

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

    Observation of high-temperature superconductivity in compressed sulfur hydrides has generated an irresistible wave of searches for new hydrogen-containing superconductors. We herein report the prediction of high-Tc superconductivity in tellurium hydrides stabilized at megabar pressures identified by first-principles calculations in combination with a swarm structure search. Although tellurium is isoelectronic to sulfur or selenium, its heavier atomic mass and weaker electronegativity makes tellurium hydrides fundamentally distinct from sulfur or selenium hydrides in stoichiometries, structures, and chemical bondings. We identify three metallic stoichiometries of H4Te , H5Te2 , and HTe3 , which are not predicted or known stable structures for sulfur or selenium hydrides. The two hydrogen-rich H4Te and H5Te2 phases are primarily ionic and contain exotic quasimolecular H2 and linear H3 units, respectively. Their high-Tc (e.g., 104 K for H4Te at 170 GPa) superconductivity originates from the strong electron-phonon couplings associated with intermediate-frequency H-derived wagging and bending modes, a superconducting mechanism which differs substantially with those in sulfur or selenium hydrides where the high-frequency H-stretching vibrations make considerable contributions.

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

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

  7. Phase equilibria and solid state transformations in niobium-rich niobium-titanium-aluminum intermetallic alloys

    NASA Astrophysics Data System (ADS)

    Leonard, Keith John

    The phase equilibria and solid state transformations within seven Nb-rich Nb-Ti-Al alloys were investigated. The alloys ranged in composition between 15 and 40 at.% Al with Nb:Ti ratios of 1.5:1 to 4:1. Examination of the as-cast microstructures revealed that all alloys solidified from the beta phase field, with subsequent solid-state transformations occurring within four of the alloys during cooling. The range of primary beta phase solidification was determined to extend beyond the limits of previous liquidus projections. The high temperature beta phase field was verified in each alloy through quenching experiments. The beta phase exhibited B2 ordering at room temperature with the order-disorder transition temperatures increasing with Ti concentration. The site occupancy preferences within the beta phase were evaluated through the ALCHEMI technique, which determined that Ti substitution occurred for Nb on Nb sublattice sites with the degree of sublattice partitioning found to depend upon alloy composition. The phase equilibria and transformations that occurred within the alloys were explored over a complete range of temperatures, with experimental isotherms produced at 1400, 1100, 900 and 700°C. Formation of metastable O-Ti 2AlNb plates occurred within the 15 at.% Al alloys at 700°C, instead of the delta-Nb3Al phase due to the slow diffusion growth kinetics of the delta phase below 900°C. A new phase with a body centered tetragonal structure belonging to the I41/amd space group was discovered in the Nb-24Ti-40Al alloy below 1100°C. This phase formed as lamella with the gamma-TiAl phase from the beta solid solution at 900 and 700°C, and was also present following treatments at 1100 + 900, 1100 + 700°C and within material oil quenched from elevated temperatures. No correlation existed between this phase and either the r-TiAl2 phase, which also has the I41/amd structure, or the gamma1 phase, which was not observed within this work. The formation of a metastable

  8. Hydriding of Titanium.

    DTIC Science & Technology

    1998-03-01

    hole. The metals used to make these couples with titanium included HY80 steel , 316 stainless steel , five-nines aluminum, 6061 aluminum, and zinc. All...the other surfaces. Titanium Coupled With Other Metals The corrosion potentials of grade 2 titanium galvanically coupled with naval brass, HY80 steel ...2 titanium; naval brass caused titanium to become an anode. At room temperature, HY80 steel and 316 stainless steel couples exhibited corrosion

  9. Dimensionally stable metallic hydride composition

    DOEpatents

    Heung, Leung K.

    1994-01-01

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

  10. Modeling of gamma/gamma-prime phase equilibrium in the nickel-aluminum system

    NASA Technical Reports Server (NTRS)

    Sanchez, J. M.; Barefoot, J. R.; Jarrett, R. N.; Tien, J. K.

    1984-01-01

    A theoretical model is proposed for the determination of phase equilibrium in alloys, taking into consideration dissimilar lattice parameters. Volume-dependent pair interactions are introduced by means of phenomenological Lennard-Jones potentials and the configurational entropy of the system is treated in the tetrahedron approximation of the cluster variation method. The model is applied to the superalloy-relevant, nickel-rich, gamma/gamma-prime phase region of the Ni-Al phase diagram. The model predicts reasonable values for the lattice parameters and the enthalpy of formation as a function of composition, and the calculated phase diagram closely approximates the experimental diagram.

  11. Aluminum-centered tetrahedron-octahedron transition in advancing Al-Sb-Te phase change properties.

    PubMed

    Xia, Mengjiao; Ding, Keyuan; Rao, Feng; Li, Xianbin; Wu, Liangcai; Song, Zhitang

    2015-02-24

    Group IIIA elements, Al, Ga, or In, etc., doped Sb-Te materials have proven good phase change properties, especially the superior data retention ability over popular Ge2Sb2Te5, while their phase transition mechanisms are rarely investigated. In this paper, aiming at the phase transition of Al-Sb-Te materials, we reveal a dominant rule of local structure changes around the Al atoms based on ab initio simulations and nuclear magnetic resonance evidences. By comparing the local chemical environments around Al atoms in respective amorphous and crystalline Al-Sb-Te phases, we believe that Al-centered motifs undergo reversible tetrahedron-octahedron reconfigurations in phase transition process. Such Al-centered local structure rearrangements significantly enhance thermal stability of amorphous phase compared to that of undoped Sb-Te materials, and facilitate a low-energy amorphization due to the weak links among Al-centered and Sb-centered octahedrons. Our studies may provide a useful reference to further understand the underlying physics and optimize performances of all IIIA metal doped Sb-Te phase change materials, prompting the development of NOR/NAND Flash-like phase change memory technology.

  12. Hydrogen storage and generation using light metal hydrides

    SciTech Connect

    Lynch, F.; Mork, B.J.; Wilkes, J.S.

    1998-07-01

    The storage of hydrogen for use in fuel cells employed as portable electric power sources is important. For many applications pressurized gas or cryogenic liquid storage is not acceptable from weight or safety standpoints. This is particularly true for moderate power systems in the 50--200 watt range. A potentially attractive technology for providing hydrogen for moderately sized fuel cell-based electric power supplies is chemical hydrides. In general, chemical hydrides are materials that store hydrogen that may be released by chemical reactions. The authors report here the use of light metal hydrides, such as lithium aluminum tetrahydride and trilithium aluminum hexahydride to store hydrogen in a very dense form; about four times the density of liquid hydrogen. The hydrogen can be released by reaction with simple chemical reagents, such as water or ammonia, at approximately atmospheric pressure and at modest temperatures. The reaction rate may be controlled to provide hydrogen at a rate appropriate to that needed by a fuel cell operating at the power levels mentioned above. Usually hydrogen is the sole gaseous product, along with several solid products.

  13. Spin Forming of an Aluminum 2219-T6 Aft Bulkhead for the Orion Multi-Purpose Crew Vehicle: Phase II Supplemental Report

    NASA Technical Reports Server (NTRS)

    Piascik, Robert S.; Squire, Michael D.; Domack, Marcia S.; Hoffman, Eric K.

    2015-01-01

    The principal focus of this project was to assist the Orion Multi-Purpose Crew Vehicle (MPCV) Program in developing a spin forming fabrication process for manufacture of the aft bulkhead of the pressure vessel. The spin forming process will enable a single piece aluminum (Al) 2219 aft bulkhead which will eliminate the current multiple piece welded construction, simplify fabrication, and lead to an enhanced design that will reduce vehicle weight by eliminating welds. Phase I of this assessment explored spin forming the single-piece forward pressure vessel bulkhead from aluminum-lithium 2195.

  14. Development of a Two-Phase Model for the Hot Deformation of Highly-Alloyed Aluminum

    SciTech Connect

    A. J. Beaudoin; J. A. Dantzig; I. M. Robertson; B. E. Gore; S. F. Harnish; H. A. Padilla

    2005-10-31

    Conventional processing methods for highly alloyed aluminum consist of ingot casting, followed by hot rolling and thermal treatments. Defects result in lost productivity and wasted energy through the need to remelt and reprocess the material. This research centers on developing a fundamental understanding for deformation of wrought 705X series alloys, a key alloy system used in structural airframe applications. The development of damage at grain boundaries is characterized through a novel test that provides initiation of failure while preserving a controlled deformation response. Data from these mechanical tests are linked to computer simulations of the hot rolling process through a critical measure of damage. Transmission electron microscopy provides fundamental insight into deformation at these high working temperatures, and--in a novel link between microscale and macroscale response--the evolution of microstructure (crystallographic orientation) provides feedback for tuning of friction in the hot rolling process. The key product of this research is a modeling framework for the analysis of industrial hot rolling.

  15. A study of hydriding kinetics of metal hydrides using a physically based model

    NASA Astrophysics Data System (ADS)

    Voskuilen, Tyler G.

    The reaction of hydrogen with metals to form metal hydrides has numerous potential energy storage and management applications. The metal hydrogen system has a high volumetric energy density and is often reversible with a high cycle life. The stored hydrogen can be used to produce energy through combustion, reaction in a fuel cell, or electrochemically in metal hydride batteries. The high enthalpy of the metal-hydrogen reaction can also be used for rapid heat removal or delivery. However, improving the often poor gravimetric performance of such systems through the use of lightweight metals usually comes at the cost of reduced reaction rates or the requirement of pressure and temperature conditions far from the desired operating conditions. In this work, a 700 bar Sievert system was developed at the Purdue Hydrogen Systems Laboratory to study the kinetic and thermodynamic behavior of high pressure hydrogen absorption under near-ambient temperatures. This system was used to determine the kinetic and thermodynamic properties of TiCrMn, an intermetallic metal hydride of interest due to its ambient temperature performance for vehicular applications. A commonly studied intermetallic hydride, LaNi5, was also characterized as a base case for the phase field model. The analysis of the data obtained from such a system necessitate the use of specialized techniques to decouple the measured reaction rates from experimental conditions. These techniques were also developed as a part of this work. Finally, a phase field model of metal hydride formation in mass-transport limited interstitial solute reactions based on the regular solution model was developed and compared with measured kinetics of LaNi5 and TiCrMn. This model aided in the identification of key reaction features and was used to verify the proposed technique for the analysis of gas-solid reaction rates determined volumetrically. Additionally, the phase field model provided detailed quantitative predictions of the

  16. Processing, phase equilibria and environmental degradation of molybdenum (silicom,aluminum)(2) intermetallic compound

    NASA Astrophysics Data System (ADS)

    Eason, Paul Duane

    The Mo(Si,Al)2 C40 compound was chosen for investigation as a possible high temperature structural material. To produce the C40 phase, several processing routes were explored with emphasis on obtaining microstructure/property relationships (i.e. control of grain size and minimization of secondary phases). To facilitate processing of single phase material, the phase equilibria of the Mo-Si-Al ternary system were reevaluated with respect to the phases adjacent to the C40 compound. An anomalous environmental degradation appeared to be the primary obstacle to further study of the compound and was investigated accordingly. Several processing routes were assessed for the production of dense, nearly single-phase Mo(Si,Al)2. Hot powder compaction was chosen as the method of sample production as is the case with many refractory silicide based materials. Therefore, variations in the processing techniques came from the choice of precursor materials and methods of powder production. Mechanical alloying, arc-melting and comminution, and blending of both elemental and compound powders were all employed to produce charges for hot uniaxial pressing. The final compacts were compared on the basis of density, grain size and presence of secondary phases. Establishment of a Mo-Si-Al ternary isothermal phase diagram at 1400°C was performed. Multiphase alloy compositions were selected to identify the phase boundaries of the C40, C54, T1 and Mo3Al8 phase fields, as well as to verify the existence of the C54 phase at 1400°C. The alloys were equilibrated by heat treatment and analyzed for phase identification and quantitative compositional information. The environmental degradation phenomenon was approached as a classical "pest" with an emphasis of study on grain boundary chemistry and atmospheric dependence of attack. Both Auger spectroscopy and electron microscopy revealed carbon-impurity-induced grain boundary segregation responsible for the embrittlement and material loss. Means of

  17. METAL HYDRIDE HYDROGEN COMPRESSORS: A REVIEW

    SciTech Connect

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

    2014-01-01

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

  18. A twist on facial selectivity of hydride reductions of cyclic ketones: twist-boat conformers in cyclohexanone, piperidone, and tropinone reactions.

    PubMed

    Neufeldt, Sharon R; Jiménez-Osés, Gonzalo; Comins, Daniel L; Houk, K N

    2014-12-05

    The role of twist-boat conformers of cyclohexanones in hydride reductions was explored. The hydride reductions of a cis-2,6-disubstituted N-acylpiperidone, an N-acyltropinone, and tert-butylcyclohexanone by lithium aluminum hydride and by a bulky borohydride reagent were investigated computationally and compared to experiment. Our results indicate that in certain cases, factors such as substrate conformation, nucleophile bulkiness, and remote steric features can affect stereoselectivity in ways that are difficult to predict by the general Felkin-Anh model. In particular, we have calculated that a twist-boat conformation is relevant to the reactivity and facial selectivity of hydride reduction of cis-2,6-disubstituted N-acylpiperidones with a small hydride reagent (LiAlH4) but not with a bulky hydride (lithium triisopropylborohydride).

  19. Arsenate and Selenate Scavenging by Basaluminite: Insights into the Reactivity of Aluminum Phases in Acid Mine Drainage.

    PubMed

    Carrero, Sergio; Fernandez-Martinez, Alejandro; Pérez-López, Rafael; Poulain, Agnieszka; Salas-Colera, Eduardo; Nieto, José Miguel

    2017-01-03

    Basaluminite precipitation may play an important role in the behavior of trace elements in water and sediments affected by acid mine drainage and acid sulfate soils. In this study, the affinity of basaluminite and schwertmannite for arsenate and selenate is compared, and the coordination geometries of these oxyanions in both structures are reported. Batch isotherm experiments were conducted to examine the sorption capacity of synthetic schwertmannite and basaluminite and the potential competitive effect of sulfate. In addition, synchrotron-based techniques such as differential pair distribution function (d-PDF) analysis and extended X-ray absorption fine structure (EXAFS) were used to determine the local structure of As(V) and Se(VI) complexes. The results show that oxyanion exchange with structural sulfate was the main mechanism for removal of selenate, whereas arsenate was removed by a combination of surface complexes and oxyanion exchange. The arsenate adsorption capacity of basaluminite was 2 times higher than that of schwertmannite and 3 times higher than that of selenate in both phases. The sulfate:arsenate and sulfate:selenate exchange ratios were 1:2 and 1:1, respectively. High sulfate concentrations in the solutions did not show a competitive effect on arsenate sorption capacity but had a strong impact on selenate uptake, suggesting some kind of specific interaction for arsenate. Both d-PDF and EXAFS results indicated that the bidentate binuclear inner sphere was the most probable type of ligand for arsenate on both phases and for selenate on schwertmannite, whereas selenate forms outer-sphere complexes in the aluminum octahedral interlayer of basaluminite. Overall, these results show a strong affinity of poorly crystalline aluminum phases such as basaluminite for As(V) and Se(VI) oxyanions, with adsorption capacities on the same order of magnitude as those of iron oxides. The results obtained in this study are relevant to the understanding of trace

  20. Multidimensional simulations of hydrides during fuel rod lifecycle

    NASA Astrophysics Data System (ADS)

    Stafford, D. S.

    2015-11-01

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

  1. Novel phases of lithium-aluminum binaries from first-principles structural search

    SciTech Connect

    Sarmiento-Pérez, Rafael; Cerqueira, Tiago F. T.; Botti, Silvana; Marques, Miguel A. L.; Valencia-Jaime, Irais; Amsler, Maximilian; Goedecker, Stefan; Romero, Aldo H.

    2015-01-14

    Intermetallic Li–Al compounds are on the one hand key materials for light-weight engineering, and on the other hand, they have been proposed for high-capacity electrodes for Li batteries. We determine from first-principles the phase diagram of Li–Al binary crystals using the minima hopping structural prediction method. Beside reproducing the experimentally reported phases (LiAl, Li{sub 3}Al{sub 2}, Li{sub 9}Al{sub 4}, LiAl{sub 3}, and Li{sub 2}Al), we unveil a structural variety larger than expected by discovering six unreported binary phases likely to be thermodynamically stable. Finally, we discuss the behavior of the elastic constants and of the electric potential profile of all Li–Al stable compounds as a function of their stoichiometry.

  2. Vapor liquid solid-hydride vapor phase epitaxy (VLS-HVPE) growth of ultra-long defect-free GaAs nanowires: Ab initio simulations supporting center nucleation

    SciTech Connect

    André, Yamina Lekhal, Kaddour; Hoggan, Philip; Avit, Geoffrey; Réda Ramdani, M.; Monier, Guillaume; Colas, David; Ajib, Rabih; Castelluci, Dominique; Gil, Evelyne; Cadiz, Fabian; Rowe, Alistair; Paget, Daniel; Petit, Elodie; Leroux, Christine; Trassoudaine, Agnès

    2014-05-21

    High aspect ratio, rod-like and single crystal phase GaAs nanowires (NWs) were grown by gold catalyst-assisted hydride vapor phase epitaxy (HVPE). High resolution transmission electron microscopy and micro-Raman spectroscopy revealed polytypism-free zinc blende (ZB) NWs over lengths of several tens of micrometers for a mean diameter of 50 nm. Micro-photoluminescence studies of individual NWs showed linewidths smaller than those reported elsewhere which is consistent with the crystalline quality of the NWs. HVPE makes use of chloride growth precursors GaCl of which high decomposition frequency after adsorption onto the liquid droplet catalysts, favors a direct and rapid introduction of the Ga atoms from the vapor phase into the droplets. High influxes of Ga and As species then yield high axial growth rate of more than 100 μm/h. The diffusion of the Ga atoms in the liquid droplet towards the interface between the liquid and the solid nanowire was investigated by using density functional theory calculations. The diffusion coefficient of Ga atoms was estimated to be 3 × 10{sup −9} m{sup 2}/s. The fast diffusion of Ga in the droplet favors nucleation at the liquid-solid line interface at the center of the NW. This is further evidence, provided by an alternative epitaxial method with respect to metal-organic vapor phase epitaxy and molecular beam epitaxy, of the current assumption which states that this type of nucleation should always lead to the formation of the ZB cubic phase.

  3. NMR relaxation rate studies of molecular motions in NaSn, the Laves-phase metal hydride C15-ZrCr(2)H(x) and carbon/epoxy composite materials

    NASA Astrophysics Data System (ADS)

    Stoddard, Ronald Dean

    Here I present studies of molecular motions in three very different systems: NaSn, which exhibits motion characteristic of both a superionic conductor and a rotor crystal; C15-ZrCrsb2Hsbx (x < 0.5), a metal hydride which exhibits unusual characteristics in its hydrogen motion; and, finally a study of the relationship between Tsb2 and the degree of cure of carbon/epoxy materials. NaSn is characterized by Nasp+ ions and stable (Snsb4)sp{4-} tetrahedra. At high temperatures NaSn displays a disordered solid phase (alpha-NaSn). The presence of Nasp+ ions suggests that alpha-NaSn may be a superionic conductor (translationally disordered) and the presence of stable Snsb4 tetrahedra suggests it may be a rotor crystal (organizationally disordered). The purpose of this study is to gain better understanding of the motions in alpha-NaSn by monitoring Na and Sn motion using sp{23}Na and sp{119}Sn NMR, respectively. C15-ZrCrsb2Hsbx (x < 0.5) is a Laves phase metal hydride which displays extremely rapid hydrogen motion and a Tsb1 peak which cannot be explained by a model employing a single correlation time for the motion. A model employing a Gaussian distribution of correlation times has been used to successfully fit Tsb1, but the origin of this distribution in a crystalline solid solution is not known. The purpose of this study is to better understand the low temperature hydrogen motions occurring in C15-ZrCrsb2Hsbx by extending the previous NMR measurements using Tsb1p and Tsb1D, experiments which effectively push the relaxation peak to lower temperatures. New techniques for manufacturing carbon/epoxy components are under development which require partial curing of the material. At present, no method for monitoring partial curing exists. Tsb2 is a promising monitor of degree of cure because of its sensitivity to changes rates of molecular motions. The purpose of this study is to demonstrate the sensitivity of Tsb2 to changes in molecular motion due to curing, and to find a

  4. Complex Hydrides for Hydrogen Storage

    SciTech Connect

    Slattery, Darlene; Hampton, Michael

    2003-03-10

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

  5. Aluminum effect on dissolution and precipitation under hyperalkaline conditions: II. Solid phase transformations.

    PubMed

    Qafoku, Nikolla P; Ainsworth, Calvin C; Szecsody, James E; Bish, David L; Young, James S; McCready, David E; Qafoku, Odeta S

    2003-01-01

    The high-level radioactive, Al-rich, concentrated alkaline and saline waste fluids stored in underground tanks have accidentally leaked into the vadose zone at the Hanford Site in Washington State. In addition to dissolution, precipitation is likely to occur when these waste fluids contact the sediments. The objective of this study was to investigate the solid phase transformations caused by dissolution and precipitation in the sediments treated with solutions similar to the waste fluids. Batch experiments at 323 K were conducted in metal- and glass-free systems under CO2 and O2 free conditions. Results from X-ray diffraction (XRD), quantitative X-ray diffraction (QXRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), and energy dispersive X-ray fluorescence spectroscopy (EDXRF) indicated that significant solid phase transformations occurred in the sediments contacted with Al-rich, hyperalkaline, and saline solutions. The XRD and QXRD analyses confirmed that smectite and most likely biotite underwent dissolution. The SEM and the qualitative EDS analyses confirmed the formation of alumino-silicates in the groups of cancrinite and probably sodalite. The morphology of the alumino-silicates secondary phases changed in response to changes in the Si/Al aqueous molar ratio. The transformations in the sediments triggered by dissolution (weathering of soil minerals) and precipitation (formation of secondary phases with high specific surface area and probably high sorption capacities) may play a significant role in the immobilization and ultimate fate of radionuclides and contaminants such as Cs, Sr, and U in the Hanford vadose zone.

  6. Laboratory investigation of aluminum solubility and solid-phase properties following alum treatment of lake waters.

    PubMed

    Berkowitz, Jacob; Anderson, Michael A; Graham, Robert C

    2005-10-01

    Water samples from two southern California lakes adversely affected by internal nutrient loading were treated with a 20 mg/L dose of Al3+ in laboratory studies to examine Al solubility and solid-phase speciation over time. Alum [Al2(SO4)3 . 18 H2O] applications to water samples from Big Bear Lake and Lake Elsinore resulted in a rapid initial decrease in pH and alkalinity followed by a gradual recovery in pH over several weeks. Dissolved Al concentrations increased following treatment, reaching a maximum of 2.54 mg/L after 17 days in Lake Elsinore water and 0.91 mg/L after 48 days in Big Bear Lake water; concentrations in both waters then decreased to <0.25 mg/L after 150 days. The solid phase was periodically collected and analyzed using X-ray diffraction (XRD), differential scanning calorimetry-thermogravimetric analysis (DSC-TGA), scanning electron microscopy (SEM), and surface area analyses to investigate the nature of the reaction products and crystallinity development over time. Poorly ordered, X-ray amorphous solid phases transformed over time to relatively well-ordered gibbsite, with strong diffraction peaks at 4.8 and 4.3 A. XRD also indicated the formation of a second (possibly aluminosilicate) crystalline phase after 150 days in Lake Elsinore water. Surface areas also decreased over time as crystals reordered to form gibbsite/microcrystalline gibbsite species. DSC-TGA results suggested that the initially formed amorphous Al(OH)3 underwent transformation to >45% gibbsite. These results were supported by geochemical modeling using Visual MINTEQ, with Al solubility putatively controlled by amorphous Al(OH)3 shortly after treatment and approaching that of microcrystalline gibbsite after about 150 days. These findings indicate that Al(OH)3 formed after alum treatment undergoes significant chemical and mineralogical changes that may alter its effectiveness as a reactive barrier to phosphorus release from lake sediments.

  7. Low density metal hydride foams

    DOEpatents

    Maienschein, Jon L.; Barry, Patrick E.

    1991-01-01

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

  8. The dynamics of the internal phonons tris(quinolin-8-olato) aluminum(III) in crystalline β-phase

    NASA Astrophysics Data System (ADS)

    Degli Esposti, Alessandra; Brinkmann, Martin; Ruani, Giampiero

    2002-01-01

    A new approach to the analysis of the internal phonons of tris(quinolin-8-olato) aluminum(III) is presented, which enlightens the role played by the ligands in determining the vibrational properties of the organometallic compound and evidences the importance of the contributions arising from the coupling terms among the three quinolinato fragments. An accurate exam of the normal modes of the meridianal isomer evidences the role of the interactions among the fragments in the vibrational dynamics of the ground state. Due to the special attention paid to the quinolinato fragments, a preliminary investigation on the vibrational properties of 8-hydroxyquinoline, taken as a model fragment, was also performed. The vibrational properties of the polymorph species β of the organometallic molecule were obtained refining the calculated frequencies, the dipole moment derivative matrix, and the polarizability derivative tensor derived by the hybrid density functional B3LYP/6-31G* comparing with the frequencies and intensities recorded by the infrared and the Raman spectroscopies performed on a polycrystalline sample. One thus obtains the most accurate intramolecular force constants up to date for the meridianal isomer in a crystalline phase.

  9. A nickel metal hydride battery for electric vehicles.

    PubMed

    Ovshinsky, S R; Fetcenko, M A; Ross, J

    1993-04-09

    Widespread use of electric vehicles can have significant impact on urban air quality, national energy independence, and international balance of trade. An efficient battery is the key technological element to the development of practical electric vehicles. The science and technology of a nickel metal hydride battery, which stores hydrogen in the solid hydride phase and has high energy density, high power, long life, tolerance to abuse, a wide range of operating temperature, quick-charge capability, and totally sealed maintenance-free operation, is described. A broad range of multi-element metal hydride materials that use structural and compositional disorder on several scales of length has been engineered for use as the negative electrode in this battery. The battery operates at ambient temperature, is made of nontoxic materials, and is recyclable. Demonstration of the manufacturing technology has been achieved.

  10. The formation and structure of the oxide and hydroxide chemisorbed phases at the aluminum surface, and relevance to hydrogen embrittlement

    NASA Astrophysics Data System (ADS)

    Francis, Michael; Kelly, Robert; Neurock, Matthew

    2010-03-01

    Aluminum alloys used in aerospace structures are susceptible to environmentally assisted cracking (EAC) induced by hydrogen embrittlement (HE) (Gangloff and Ives 1990). Crack growth experiments have demonstrated a linear relation between the relative humidity of the environment and crack growth rates, indicating the importance of water (Speidel and Hyatt 1972). While the presence of water has been demonstrated to be necessary for EAC of aluminum, crack growth rates have been linked to the diffusivity of hydrogen in aluminum (Gangloff 2003) and hydrogen densities at the crack tip as high as Al2H have been observed (Young and Scully 1998). While the mechanism by which hydrogen embrittles aluminum is yet not well understood, without the entry of hydrogen into the aluminum matrix, embrittlement would not occur. While at the crack tip high hydrogen concentrations exist, the solubility of hydrogen in aluminum is normal near 1 ppm (Wolverton 2004). In this work combined first principles and kinetic Monte Carlo methods will be used to examine the oxide and hydroxide structure resulting from exposure of aluminum to H2O or O2 and relevance to hydrogen entry as well as EAC is discussed.

  11. Hydrides of intermetallic compounds with a H/M ratio greater than unity obtained at high hydrogen pressures

    SciTech Connect

    Semenenko, K.N.; Klyamkin, S.N.

    1993-11-01

    Novel hydride phases with H/M > 1 based on Zr{sub 2}Pd, Hf{sub 2}Pd, and Hf{sub 2}Cu (structures of the MoSi{sub 2} type) have been synthesized at high H{sub 2} pressures. The X-ray diffraction investigations of the resulting hydrides have been carried out. Some factors determining the maximum hydrogen content in the hydrides of intermetallic compounds are discussed. A model structure of the hydrides obtained is proposed, which assumes the possibility of direct H-H interactions when the interatomic distances are less than 1 {angstrom}.

  12. Low oxidation state aluminum-containing cluster anions: Cp(∗)AlnH(-), n = 1-3.

    PubMed

    Zhang, Xinxing; Ganteför, Gerd; Eichhorn, Bryan; Mayo, Dennis; Sawyer, William H; Gill, Ann F; Kandalam, Anil K; Schnöckel, Hansgeorg; Bowen, Kit

    2016-08-21

    Three new, low oxidation state, aluminum-containing cluster anions, Cp*AlnH(-), n = 1-3, were prepared via reactions between aluminum hydride cluster anions, AlnHm (-), and Cp*H ligands. These were characterized by mass spectrometry, anion photoelectron spectroscopy, and density functional theory based calculations. Agreement between the experimentally and theoretically determined vertical detachment energies and adiabatic detachment energies validated the computed geometrical structures. Reactions between aluminum hydride cluster anions and ligands provide a new avenue for discovering low oxidation state, ligated aluminum clusters.

  13. Complex and liquid hydrides for energy storage

    NASA Astrophysics Data System (ADS)

    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

    2016-04-01

    The research on complex hydrides for hydrogen storage was initiated 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 regarding the properties of complex hydrides and the synthesis methods has grown enormously since then. A significant portion of the research groups active in the field of complex hydrides is collaborators in the International Energy Agreement Task 32. This paper reports about the important issues in the field of complex hydride research, i.e. the synthesis of borohydrides, the thermodynamics of complex hydrides, 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 is an excellent summary of the recent achievements.

  14. Complex and liquid hydrides for energy storage

    SciTech Connect

    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.

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

    SciTech Connect

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

    2013-09-01

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

  16. Addressing the Limit of Detectability of Residual Oxide Discontinuities in Friction Stir Butt Welds of Aluminum using Phased Array Ultrasound

    NASA Technical Reports Server (NTRS)

    Johnston, P. H.

    2008-01-01

    This activity seeks to estimate a theoretical upper bound of detectability for a layer of oxide embedded in a friction stir weld in aluminum. The oxide is theoretically modeled as an ideal planar layer of aluminum oxide, oriented normal to an interrogating ultrasound beam. Experimentally-measured grain scattering level is used to represent the practical noise floor. Echoes from naturally-occurring oxides will necessarily fall below this theoretical limit, and must be above the measurement noise to be potentially detectable.

  17. Transient liquid phase bonding of a third generation gamma-titanium aluminum alloy: Gamma Met PX

    NASA Astrophysics Data System (ADS)

    Butts, Daniel A.

    The research work presented here discusses transient liquid phase (TLP) bonding of a current (i.e. third) generation gamma-TiAl alloy known as Gamma Met PX (GMPX). Effective implementation of GMPX in service is likely to require fabrication of complicated geometries for which a high performance metallurgical joining technique must be developed. Although a number of joining processes have been investigated, all have significant disadvantages that limit their ability to achieve sound joints. TLP bonding has proved to be a successful method of producing joints with microstructures and compositions similar to that of the bulk substrates. Hence, bonds with parent-like mechanical and oxidation properties are possible. The interlayer and bonding conditions employed for joining of GMPX were based on successful wide-gap TLP joining trials of an earlier generation cast gamma-TiAl alloy with a composition of Ti-48Al-2Cr-2Nb in atomic percent (abbreviated here to 48-2-2). A composite interlayer consisting of a 6:1 weight ratio (7 vol.% copper) of gas atomized 48-2-2 powders (-270 mesh) and pure copper powders (-325 mesh) was employed. When applied to GMPX, these interlayer ratio and bonding conditions produced undesirable microstructures and poor mechanical performance in as-bonded joints. Thus, modifications to the joining technique were required. Initially these modifications were based purely on empirical and phenomenological studies, however, detailed mechanistic studies of the underlying joining mechanisms were conducted to aid in selecting these modifications. Mechanisms such as diffusion, solubility and wettability of copper in/on GMPX and 48-2-2 bulk substrates were investigated and compared. A difference in solubility of copper in GMPX and 48-2-2 bulk substrates was attributed to (at least in part) to the observed differences in GMPX and 48-2-2 bonds. The copper solubility, at the bonding temperature, in the 48-2-2 and GMPX alloys was determined to be ˜2 at.% and ˜1

  18. Transient liquid phase bonding of titanium-aluminum-niobium-chromium alloys

    NASA Astrophysics Data System (ADS)

    Zhou, Tao

    The research work presented in this study is mainly about the joining of Ti-48 at. % Al-2 at. % Nb-2 at. % Cr alloys with transient liquid phase (TLP) bonding technology. The TLP bonding technology that has been used in this project includes narrow-gap TLP bonding and wide-gap TLP bonding. Copper has been selected as the melting point depressant (MPD) for the bonding. Thin pure copper films are used for the narrow-gap TLP bonding and the composite interlayers made of 48-2-2 + Cu powders are used for the wide-gap TLP bonding. Different types of composite interlayers, including pre-sintered, manually deposited and automatically deposited composite interlayers have been used to make joints. The comparisons between the joints with all these different composite interlayers are drawn and the results suggest that all these interlayers could make sound bonds with suitable process conditions. The microstructures of the bonds, identified using light, scanning electron and transmission electron microscopy, are correlated with their mechanical properties. The mechanical tests include shear test, four point bend test and tensile test. The joints made with thin copper films usually have some excessive Cu-riched intermetallic at the bond line and the mechanical testing shows poor bonding strength. However, some joints made on Gleeble---1500 with very thin copper film (5 mum) could have some fairly high strength. The as-bonded wide-gap joints sometimes have some Cu-rich intermetallic compounds at the bond line and also have a finer microstructure than that of the substrates. These fine grains at the bond line come from the 48-2-2 powder particles in the composite interlayers. However, a fully lamellar microstructure could be formed at the bond line after post-bond heat treatment at 1350°C for 1 hour. The mechanical testing results show the strengths of the joints are quite similar to that of the bulk 48-2-2 alloys at both of the room and elevated temperature (700°). The post

  19. A new route to metal hydrides

    SciTech Connect

    Murphy, D.W.; Zahurak, S.M.; Vyas, B.; Thomas, M.; Badding, M.E.; Fang, W.C. )

    1993-06-01

    Aqueous borohydride is shown to be an effective reagent for hydriding metals and intermetallics. It is the hydriding equivalent of 20-30 atm of H[sub 2]. The reaction is a convenient way to screen materials for hydride formation and possible utility in applications such as nickel-metal hydride batteries. The reaction is also a convenient alternative to decrepitation for the production of free flowing powders. 16 refs., 1 fig., 1 tab.

  20. Photochemistry of Transition Metal Hydrides.

    PubMed

    Perutz, Robin N; Procacci, Barbara

    2016-08-10

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

  1. Vanadium hydride deuterium-tritium generator

    DOEpatents

    Christensen, Leslie D.

    1982-01-01

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

  2. Method of producing a chemical hydride

    DOEpatents

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

    2007-11-13

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

  3. Aluminum Hydroxide

    MedlinePlus

    Aluminum hydroxide is used for the relief of heartburn, sour stomach, and peptic ulcer pain and to ... Aluminum hydroxide comes as a capsule, a tablet, and an oral liquid and suspension. The dose and ...

  4. An experimental and modeling investigation of the external strain, internal stress and fiber phase transformation behavior of a NiTi actuated aluminum metal matrix composite

    SciTech Connect

    Armstrong, W.D.; Lorentzen, T.; Broendsted, P.; Larsen, P.H.

    1998-06-12

    The present work reports macroscopic thermal mechanical and in-situ neutron diffraction measurements from 22.9 vol. %, 50.7 at. % Ni-Ti fiber actuated 6082-T6 aluminum matrix composite and 6082-T6 homogeneous aluminum control materials subjected to a room temperature 4% tensile elongation, a subsequent room temperature to 120 C unconstrained heating process, and a final 120 C tensile process. During the unconstrained room temperature to 120 C heating process, the composite exhibited a pronounced, non linear thermal contraction, while the homogeneous control exhibited the expected linear thermal expansion. The composite thermal contraction was clearly the result of a powerful shape memory response in the actuating NiTi fibers. The paper further presents a one-dimensional thermal strain, internal stress and fiber phase transformation composite model. Model parameters were identified from tests on extracted single fibers, calculations using these parameters quantitatively agree with experimental thermal mechanical and neutron diffraction measurements.

  5. Effects of Cr, Zr, V, Mn, Fe, and Co to the hydride properties of Laves phase-related body-centered-cubic solid solution alloys

    NASA Astrophysics Data System (ADS)

    Young, K.; Ouchi, T.; Nei, J.; Meng, T.

    2015-05-01

    Chemical composition modifications of a Laves phase-related BCC solid solution base alloy, Ti15.6Zr2.1V44Cr11.2Mn6.9Fe2.7Co1.4Ni15.7Al0.3, were investigated in order to study the function of each constituent element on the structural, gaseous phase and electrochemical hydrogen storage properties of these alloys. In general, removal of Fe and decrease in V-content in exchange for higher Ni-content were found to improve both the electrochemical capacity and high-rate dischargeability, which are related to the decrease in C14-content and increase in TiNi-content. However, total elimination of the C14 phase by removal of Zr resulted in a reduced discharge capacity, a prolonged activation period, and a less catalytic surface for electrochemical reaction. Besides the BCC and C14 phases, the TiNi phase was also found in every alloy in this study, contributing positively to the bulk diffusion of hydrogen while hindering the surface electrochemical reaction.

  6. Temporal and spatial imaging of hydrogen storage materials: watching solvent and hydrogen desorption from aluminium hydride by transmission electron microscopy.

    PubMed

    Beattie, Shane D; Humphries, Terry; Weaver, Louise; McGrady, G Sean

    2008-10-07

    An in situ thermal desorption study of solvated aluminum hydride (alane) by transmission electron microscopy and selected area diffraction has permitted characterisation of the structural and morphological changes during desorption of solvent and hydrogen in real-time; this powerful technique for studying hydrogen storage materials complements several others already employed.

  7. PROCESS OF ELECTROPLATING METALS WITH ALUMINUM

    DOEpatents

    Schickner, W.C.

    1960-04-26

    A process of electroplating aluminum on metals from a nonaqueous bath and a novel method of pretreating or conditioning the metal prior to electrodeposition of the aluminum are given. The process of this invention, as applied by way of example to the plating of uranium, comprises the steps of plating the uranium with the barrier inetal, immersing the barrier-coated uranium in fatty acid, and electrolyzing a water-free diethyl ether solution of aluminum chloride and lithium hydride while making the uranium the cathode until an aluminum deposit of the desired thickness has been formed. According to another preferred embodiment the barrier-coated uranium is immersed in an isopropyl alcohol solution of sterato chromic chloride prior to the fatty acid treatment of this invention.

  8. Characteristics and Applications of Metal Hydrides

    NASA Technical Reports Server (NTRS)

    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.

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

    DOE PAGES

    Zhang, Yongfeng; Bai, Xian-Ming; Yu, Jianguo; ...

    2016-06-01

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

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

    SciTech Connect

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

    2016-06-01

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

  11. Aluminum and aluminum alloys as sources of hydrogen for fuel cell applications

    NASA Astrophysics Data System (ADS)

    Soler, Lluís; Macanás, Jorge; Muñoz, Maria; Casado, Juan

    Production of hydrogen using aluminum and aluminum alloys with aqueous alkaline solutions is studied. This process is based on aluminum corrosion, consuming only water and aluminum which are cheaper raw materials than other compounds used for in situ hydrogen generation, such as chemical hydrides. In principle, this method does not consume alkali because the aluminate salts produced in the hydrogen generation undergo a decomposition reaction that regenerates the alkali. As a consequence, this process could be a feasible alternative for hydrogen production to supply fuel cells. Preliminary results showed that an increase of base concentration and working solution temperature produced an increase of hydrogen production rate using pure aluminum. Furthermore, an improvement of hydrogen production rates and yields was observed varying aluminum alloys composition and increasing their reactive surface, with interesting results for Al/Si and Al/Co alloys. The development of this idea could improve yields and reduce costs in power units based on fuel cells which use hydrides as raw material for hydrogen production.

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

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

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

  13. High resolution transmission electron microscopy characterization of fcc --> 9R transformation in nanocrystalline palladium films due to hydriding

    NASA Astrophysics Data System (ADS)

    Amin-Ahmadi, Behnam; Idrissi, Hosni; Delmelle, Renaud; Pardoen, Thomas; Proost, Joris; Schryvers, Dominique

    2013-02-01

    Sputtered nanocrystalline palladium thin films with nanoscale growth twins have been subjected to hydriding cycles. The evolution of the twin boundaries has been investigated using high resolution transmission electron microscopy. Surprisingly, the ∑3{112} incoherent twin boundaries dissociate after hydriding into two phase boundaries bounding a 9R phase. This phase which corresponds to single stacking faults located every three {111} planes in the fcc Pd structure was not expected because of the high stacking fault energy of Pd. This observation is connected to the influence of the Hydrogen on the stacking fault energy of palladium and the high compressive stresses building up during hydriding.

  14. Cheaper Hydride-Forming Cathodes

    NASA Technical Reports Server (NTRS)

    Jones, Jack A.; Blue, Gary

    1990-01-01

    Hydride-forming cathodes for electrochemical experiments made of materials or combinations of materials cheaper and more abundant than pure palladium, according to proposal. Concept prompted by needs of experimenters in now-discredited concept of electrochemical nuclear fusion, cathodes useful in other electrochemical applications involving generation or storage of hydrogen, deuterium, or tritium.

  15. Dissolution and Separation of Aluminum and Aluminosilicates

    SciTech Connect

    McFarlane, Joanna; Benker, Dennis; DePaoli, David W.; Felker, Leslie Kevin; Mattus, Catherine H.

    2015-12-19

    The selection of an aluminum alloy for target irradiation affects post-irradiation target dissolution and separations. Recent tests with aluminum alloy 6061 yielded greater than expected precipitation in the dissolver, forming up to 10 wt.% solids of aluminum hydroxides and aluminosilicates. Aluminosilicate dissolution presents challenges in a number of different areas, metals extraction from minerals, flyash treatment, and separations from aluminum alloys. We present experimental work that attempts to maximize dissolution of aluminum metal, along with silicon, magnesium, and copper impurities, through control of temperature, the rate of reagent addition, and incubation time. Aluminum phase transformations have been identified as a function of time and temperature, using X-ray diffraction. Solutions have been analyzed using wet chemical methods and X-ray fluorescence. Our data have been compared with published calculations of aluminum phase diagrams. Approaches are given to enhance the dissolution of aluminum and aluminosilicate phases in caustic solution.

  16. Dissolution and Separation of Aluminum and Aluminosilicates

    DOE PAGES

    McFarlane, Joanna; Benker, Dennis; DePaoli, David W.; ...

    2015-12-19

    The selection of an aluminum alloy for target irradiation affects post-irradiation target dissolution and separations. Recent tests with aluminum alloy 6061 yielded greater than expected precipitation in the dissolver, forming up to 10 wt.% solids of aluminum hydroxides and aluminosilicates. Aluminosilicate dissolution presents challenges in a number of different areas, metals extraction from minerals, flyash treatment, and separations from aluminum alloys. We present experimental work that attempts to maximize dissolution of aluminum metal, along with silicon, magnesium, and copper impurities, through control of temperature, the rate of reagent addition, and incubation time. Aluminum phase transformations have been identified as amore » function of time and temperature, using X-ray diffraction. Solutions have been analyzed using wet chemical methods and X-ray fluorescence. Our data have been compared with published calculations of aluminum phase diagrams. Approaches are given to enhance the dissolution of aluminum and aluminosilicate phases in caustic solution.« less

  17. Process for production of an aluminum hydride compound

    DOEpatents

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

    2013-08-06

    A compound of formula M(AlH.sub.3OR.sup.1).sub.y, wherein R.sup.1 is phenyl substituted by at least one of: (i) an alkoxy group having from one to six carbon atoms; and (ii) an alkyl group having from three to twelve carbon atoms; wherein M is an alkali metal, Be or Mg; and y is one or two.

  18. Aluminum Hydride as a Fuel Supplement to NanoThermites

    DTIC Science & Technology

    2014-01-01

    including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and completing and reviewing the... exists on its combustion behavior. Sinke et al. [3] determined the heat of formation as −2.7 kcal∕mol by bomb calorimetry in one of the earliest...Bi2O3 thermites were performedwith the CHEETAH code using the constant-volume explosion option. With the exception of the Fe2O3 based thermite, all of the

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

    SciTech Connect

    Provo, James L.

    2014-07-01

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

  20. Chemical vapor synthesis and characterization of aluminum nanopowder

    NASA Astrophysics Data System (ADS)

    Choi, Jin Won; Sohn, Hong Yong; Choi, Young Joon; Fang, Zhigang Zak

    Aluminum is a component in many promising hydrogen storage materials such as aluminum hydride and complex aluminum hydrides. In this research, Al and TiAl 3-containing Al nanopowders were prepared by a chemical vapor synthesis (CVS) process using Mg as the reducing agent. XRD and EDS results indicated that the produced powder was composed of Al or Al with TiAl 3. The shape of the powder was spherical with the average size in the range of 10-50 nm measured by SEM, TEM, BET and ZetaPALS compared with the typically larger than 100 nm for commercially available fine Al powders. In addition, the effects of the operating conditions such as Ar flow rate, precursor feed rate and reaction temperature on the properties of the product powder were investigated.

  1. Sensitive determination of As (III) and As (V) by magnetic solid phase extraction with Fe@polyethyleneimine in combination with hydride generation atomic fluorescence spectrometry.

    PubMed

    Zhou, Qingxiang; Zheng, Zhenwen; Xiao, Junping; Fan, Huili

    2016-08-15

    The magnetic nanomaterial Fe@polyethyleneimine (Fe@PEI) was successfully synthesized and used as an effective adsorbent material for magnetic solid phase extraction(MSPE) of As(III) and As(V) from water samples. Fe@SiO2 nanoparticles were prepared by one pot synthetic method using a borohydride reduction method, then modified with (3-chloropropyl)trimethoxysilane to obtain Fe@SiO2-Cl by chloropropylation, which was reacted with PEI to achieve Fe@polyethyleneimine (Fe@PEI). The microstructure and morphology of Fe@PEI were characterized by transmission electron microscoscopy (TEM), Fourier transform infrared spectroscopy (FT-IR), and X-ray diffraction (XRD). The experimental results showed that Fe@PEI demonstrated excellent adsorption for As(III) and As(V). Based on this fact, the determination method for these two arsenic species earned good limits of detection (LODs) of 0.002μgL(-1) and wide calibration curves in the concentration range from 0.008 to 0.2μgL(-1). The precisions of As (III) and As (V)were 1.95% and 2.55% (RSD, n=6), respectively. The proposed method was validated with real samples and the spiked recoveries were in the range of 82.7-98.3% and the accuracies were in the range of 2-13.3%. The results demonstrated that the developed MSPE method had good advantages such as simplicity, rapid separation, low cost, easy to reuse and high-quality analytical performances, which made it attractive for rapid and efficient extraction of inorganic arsenic species in the environmental water samples.

  2. An empirical many-body potential-energy function for aluminum. Application to solid phases and microclusters

    NASA Astrophysics Data System (ADS)

    Johnston, Roy L.; Fang, Jian-Yun

    1992-11-01

    An empirical two-plus-three-body potential, developed by Murrell and co-workers [J. N. Murrell and R. A. Rodriguez-Ruiz, Mol. Phys. 71, 823 (1990)], is applied to the study of fcc aluminum. The parameters in the potential are derived by fitting the experimental phonon-dispersion curves and elastic constants. Calculations, using this potential, on a number of one-, two- and three-dimensional extended systems give results which are in quantitative agreement with recent ab initio calculations [I. J. Robertson, M. C. Payne, and V. Heine, Europhys. Lett. 15, 301 (1991)]. Calculations on small- and medium-sized aluminum clusters give cluster geometries and growth patterns which agree qualitatively with previous ab initio molecular-orbital and density-functional studies.

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

    SciTech Connect

    Klein, J.E.

    2015-03-15

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

  4. The renaissance of hydrides as energy materials

    NASA Astrophysics Data System (ADS)

    Mohtadi, Rana; Orimo, Shin-Ichi

    2016-12-01

    Materials based on hydrides have been the linchpin in the development of several practical energy storage technologies, of which the most prominent example is nickel-metal hydride batteries. Motivated by the need to meet the future's energy demand, the past decade has witnessed substantial advancements in the research and development of hydrides as media for hydrogen energy storage. More recently, new and rapidly evolving discoveries have positioned hydrides as highly promising materials for future electrochemical energy storage, such as electrolytes for mono- and divalent batteries, and anodes for lithium-ion batteries. In addition, the potential of hydrides in efficient power transmission has been recently revealed. In this Review, we highlight key advances and illustrate how the versatility of hydrides has not only yielded a meaningful past, but also ensures a very bright future.

  5. Rechargeable metal hydrides for spacecraft application

    NASA Astrophysics Data System (ADS)

    Perry, J. L.

    1988-09-01

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

  6. Rechargeable metal hydrides for spacecraft application

    NASA Technical Reports Server (NTRS)

    Perry, J. L.

    1988-01-01

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

  7. Use of reversible hydrides for hydrogen storage

    NASA Technical Reports Server (NTRS)

    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.

  8. Hydrogen /Hydride/-air secondary battery

    NASA Technical Reports Server (NTRS)

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

    1979-01-01

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

  9. Inhibited solid propellant composition containing beryllium hydride

    NASA Technical Reports Server (NTRS)

    Thompson, W. W. (Inventor)

    1978-01-01

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

  10. Multi-stage hydride-hydrogen compressor

    NASA Astrophysics Data System (ADS)

    Golben, P. M.

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

  11. Vanadium hydride deuterium-tritium generator

    DOEpatents

    Christensen, L.D.

    1980-03-13

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

  12. Diffusional exchange of isotopes in a metal hydride sphere.

    SciTech Connect

    Wolfer, Wilhelm G.; Hamilton, John C.; James, Scott Carlton

    2011-04-01

    This report describes the Spherical Particle Exchange Model (SPEM), which simulates exchange of one hydrogen isotope by another hydrogen isotope in a spherical metal hydride particle. This is one of the fundamental physical processes during isotope exchange in a bed of spherical metal particles and is thus one of the key components in any comprehensive physics-based model of exchange. There are two important physical processes in the model. One is the entropy of mixing between the two isotopes; the entropy of mixing is increased by having both isotopes randomly placed at interstitial sites on the lattice and thus impedes the exchange process. The other physical process is the elastic interaction between isotope atoms on the lattice. The elastic interaction is the cause for {beta}-phase formation and is independent of the isotope species. In this report the coupled diffusion equations for two isotopes in the {beta}-phase hydride are solved. A key concept is that the diffusion of one isotope depends not only on its concentration gradient, but also on the concentration gradient of the other isotope. Diffusion rate constants and the chemical potentials for deuterium and hydrogen in the {beta}-phase hydride are reviewed because these quantities are essential for an accurate model of the diffusion process. Finally, a summary of some of the predictions from the SPEM model are provided.

  13. Ten degree Kelvin hydride refrigerator

    NASA Technical Reports Server (NTRS)

    Jones, Jack A. (Inventor)

    1987-01-01

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

  14. Complex hydrides for hydrogen storage

    DOEpatents

    Zidan, Ragaiy

    2006-08-22

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

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

    PubMed

    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.

  16. Thermodynamic Hydricity of Transition Metal Hydrides.

    PubMed

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

    2016-08-10

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

  17. Fundamental experiments on hydride reorientation in zircaloy

    NASA Astrophysics Data System (ADS)

    Colas, Kimberly B.

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

  18. ENVIRONMENTAL REACTIVITY OF SOLID STATE HYDRIDE MATERIALS

    SciTech Connect

    Gray, J; Donald Anton, D

    2009-04-23

    In searching for high gravimetric and volumetric density hydrogen storage systems, it is inevitable that higher energy density materials will be used. In order to make safe and commercially acceptable condensed phase hydrogen storage systems, it is important to understand quantitatively the risks involved in using and handling these materials and to develop appropriate mitigation strategies to handle potential material exposure events. A crucial aspect of the development of risk identification and mitigation strategies is the development of rigorous environmental reactivity testing standards and procedures. This will allow for the identification of potential risks and implementation of risk mitigation strategies. Modified testing procedures for shipping air and/or water sensitive materials, as codified by the United Nations, have been used to evaluate two potential hydrogen storage materials, 2LiBH{sub 4} {center_dot} MgH{sub 2} and NH{sub 3}BH{sub 3}. The modified U.N. procedures include identification of self-reactive substances, pyrophoric substances, and gas-emitting substances with water contact. The results of these tests for air and water contact sensitivity will be compared to the pure material components where appropriate (e.g. LiBH{sub 4} and MgH{sub 2}). The water contact tests are divided into two scenarios dependent on the hydride to water mole ratio and heat transport characteristics. Air contact tests were run to determine whether a substance will spontaneously react with air in a packed or dispersed form. In the case of the 2LiBH{sub 4} {center_dot} MgH{sub 2} material, the results from the hydride mixture compared to the pure materials results showed the MgH{sub 2} to be the least reactive component and LiBH{sub 4} the more reactive. The combined 2LiBH{sub 4} {center_dot} MgH{sub 2} resulted in a material having environmental reactivity between these two materials. Relative to 2LiBH{sub 4} {center_dot} MgH{sub 2}, the chemical hydride NH{sub 3}BH

  19. Gas-Phase Partial Oxidation of Lignin to Carboxylic Acids over Vanadium Pyrophosphate and Aluminum-Vanadium-Molybdenum.

    PubMed

    Lotfi, Samira; Boffito, Daria C; Patience, Gregory S

    2015-10-26

    Lignin is a complex polymer that is a potential feedstock for aromatic compounds and carboxylic acids by cleaving the β-O-4 and 5-5' linkages. In this work, a syringe pump atomizes an alkaline solution of lignin into a catalytic fluidized bed operating above 600 K. The vanadium heterogeneous catalysts convert all the lignin into carboxylic acids (up to 25 % selectivity), coke, carbon oxides, and hydrogen. Aluminum-vanadium-molybdenum mostly produced lactic acid (together with formic acid, acrylic acid, and maleic anhydride), whereas the vanadium pyrophosphate catalyst produced more maleic anhydride.

  20. A study of environmental characterization of conventional and advanced aluminum alloys for selection and design. Phase 1: Literature review

    NASA Technical Reports Server (NTRS)

    Sprowls, D. O.

    1984-01-01

    A review of the literature is presented with the objectives of identifying relationships between various accelerated stress corrosion testing techniques, and for determining the combination of test methods best suited to selection and design of high strength aluminum alloys. The following areas are reviewed: status of stress-corrosion test standards, the influence of mechanical and environmental factors on stress corrosion testing, correlation of accelerated test data with in-service experience, and procedures used to avoid stress corrosion problems in service. Promising areas for further work are identified.

  1. Our favorite materials: silica hydride stationary phases.

    PubMed

    Pesek, Joseph J; Matyska, Maria T

    2009-12-01

    "Chance favors the prepared mind." Louis Pasteur. "Reality is merely an illusion, albeit a very persistent one". Albert Einstein. As so succinctly stated by these two famous scientists, it is sometimes necessary to step outside the bounds of traditional thinking and look at ideas that many claim to be impossible based on preconceived notions rather than experimental data. This review is dedicated to those open-minded scientists who are willing to evaluate new concepts objectively rather than dismiss new approaches with outdated theories.

  2. Studies of gas phase reactions, nucleation and growth mechanisms of plasma promoted chemical vapor deposition of aluminum using dimethylethylamine alane as source percursor

    NASA Astrophysics Data System (ADS)

    Knorr, Andreas H.

    The work presented herein focuses on the use of plasma promoted chemical vapor deposition (PPCVD) of aluminum (Al) using dimethylethylamine alane (DMEAA) as source precursor to provide an integrated, low temperature alternative to currently employed Al deposition methods in ultra large sale integration ULSI multilevel metal wiring schemes. In this respect, key findings are reported and discussed from critical scientific and technical aspects of an research and development effort, which was successfully executed to identify a viable Al CVD deposition process. In this respect, advanced atomic scale analytical techniques were successfully employed to characterize the PPCVD deposition process at the molecular level, and document the dependence of film's structural and compositional properties on key process parameters. This led to the development and optimization of a PPCVD Al process for ULSI applications. In addition, gas phase quadrupole mass spectrometry (QMS) was employed to study the gas phase evolution during TCVD and PPCVD in order to gain a thorough understanding of the potential chemical and physical reactions that could occur in the gas phase and derive corresponding optimized reaction pathways for both CVD processes. Key reaction mechanisms involved in thermal and plasma promoted CVD as a function of processing parameters were investigated, including the role of hydrogen plasma in providing an efficient pathway to aluminum nucleation and growth. The resulting reaction mechanisms were then employed to identify the most likely precursor decomposition pathways and explore relevant implications for thermal and plasma promoted CVD Al. Furthermore, the nucleation and growth of Al in both TCVD and PPCVD were thoroughly characterized. Time evolution studies were carried out employing a variety of relevant liners and seed layers under selected surface chemical states. The surface morphology of the resulting films were analyzed by means of scanning probe microscopy

  3. Erbium hydride thermal desorption : controlling kinetics.

    SciTech Connect

    Ferrizz, Robert Matthew

    2007-08-01

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

  4. Draft of M2 Report on Integration of the Hybrid Hydride Model into INL's MBM Framework for Review

    SciTech Connect

    Tikare, Veena; Weck, Philippe F.; Schultz, Peter A.; Clark, Blythe; Glazoff, Michael; Homer, Eric

    2014-07-01

    This report documents the development, demonstration and validation of a mesoscale, microstructural evolution model for simulation of zirconium hydride {delta}-ZrH{sub 1.5} precipitation in the cladding of used nuclear fuels that may occur during long-term dry storage. While the Zr-based claddings are manufactured free of any hydrogen, they absorb hydrogen during service, in the reactor by a process commonly termed ‘hydrogen pick-up’. The precipitation and growth of zirconium hydrides during dry storage is one of the most likely fuel rod integrity failure mechanisms either by embrittlement or delayed hydride cracking of the cladding. While the phenomenon is well documented and identified as a potential key failure mechanism during long-term dry storage (NUREG/CR-7116), the ability to actually predict the formation of hydrides is poor. The model being documented in this work is a computational capability for the prediction of hydride formation in different claddings of used nuclear fuels. This work supports the Used Fuel Disposition Research and Development Campaign in assessing the structural engineering performance of the cladding during and after long-term dry storage. This document demonstrates a basic hydride precipitation model that is built on a recently developed hybrid Potts-phase field model that combines elements of Potts-Monte Carlo and the phase-field models. The model capabilities are demonstrated along with the incorporation of the starting microstructure, thermodynamics of the Zr-H system and the hydride formation mechanism.

  5. Aluminum Analysis.

    ERIC Educational Resources Information Center

    Sumrall, William J.

    1998-01-01

    Presents three problems based on the price of aluminum designed to encourage students to be cooperative and to use an investigative approach to learning. Students collect and synthesize information, analyze results, and draw conclusions. (AIM)

  6. First Evidence of Rh Nano-Hydride Formation at Low Pressure.

    PubMed

    Zlotea, Claudia; Oumellal, Yassine; Msakni, Mariem; Bourgon, Julie; Bastide, Stéphane; Cachet-Vivier, Christine; Latroche, Michel

    2015-07-08

    Rh-based nanoparticles supported on a porous carbon host were prepared with tunable average sizes ranging from 1.3 to 3.0 nm. Depending on the vacuum or hydrogen environment during thermal treatment, either Rh metal or hydride is formed at nanoscale, respectively. In contrast to bulk Rh that can form a hydride phase under 4 GPa pressure, the metallic Rh nanoparticles (∼2.3 nm) absorb hydrogen and form a hydride phase at pressure below 0.1 MPa, as evidenced by the presence of a plateau pressure in the pressure-composition isotherm curves at room temperature. Larger metal nanoparticles (∼3.0 nm) form only a solid solution with hydrogen under similar conditions. This suggests a nanoscale effect that drastically changes the Rh-H thermodynamics. The nanosized Rh hydride phase is stable at room temperature and only desorbs hydrogen above 175 °C. Within the present hydride particle size range (1.3-2.3 nm), the hydrogen desorption is size-dependent, as proven by different thermal analysis techniques.

  7. Study of mechanical joint strength of aluminum alloy 7075-T6 and dual phase steel 980 welded by friction bit joining and weld-bonding under corrosion medium

    SciTech Connect

    Lim, Yong Chae; Squires, Lile; Pan, Tsung-Yu; Miles, Michael; Song, Guang-Ling; Wang, Yanli; Feng, Zhili

    2014-12-30

    We have employed a unique solid-sate joining process, called friction bit joining (FBJ), to spot weld aluminum alloy (AA) 7075-T6 and dual phase (DP) 980 steel. Static joint strength was studied in the lap shear tension configuration. In addition, weld-bonding (adhesive + FBJ) joints were studied in order to evaluate the ability of adhesive to mitigate the impact of corrosion on joint properties. Accelerated laboratory cyclic corrosion tests were carried out for both FBJ only and weld-bonding joints. Furthermore, the FBJ only joints that emerged from corrosion testing had lap shear failure loads that were significantly lower than freshly prepared joints. However, weld-bonding specimens retained more than 80% of the lap shear failure load of the freshly prepared weld-bonding specimens. Moreover, examination of joint cross sections confirmed that the presence of adhesive in the weld-bonding joints mitigated the effect of the corrosion environment, compared to FBJ only joints.

  8. Gas-phase rotational spectroscopy of AlCCH (XΣ+): A model system for organo-aluminum compounds

    NASA Astrophysics Data System (ADS)

    Sun, M.; Halfen, D. T.; Min, J.; Clouthier, D. J.; Ziurys, L. M.

    2012-11-01

    The pure rotational spectrum of AlCCH in its ground electronic state (XΣ+) has been measured using Fourier transform microwave (FTMW) and mm/sub-mm direct absorption spectroscopy. AlCCH was created in a DC discharge from HCCH and aluminum vapor, either produced by a Broida-type oven, or generated from Al(CH3)3 in a supersonic jet source. Rotational transitions were measured for five isotopologues of AlCCH, with 13C and deuterium substitutions. From these data, rotational and Al and D quadrupole parameters were determined, as well as an accurate structure. AlCCH appears to exhibit an acetylenic arrangement with significant covalent character in the Al-C single bond.

  9. Zirconium hydride containing explosive composition

    DOEpatents

    Walker, Franklin E.; Wasley, Richard J.

    1981-01-01

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

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

    PubMed Central

    Oumellal, Yassine; Bonnet, Jean-Pierre

    2015-01-01

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

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

    PubMed

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

    2015-01-01

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

  12. Hydrogen Impurity Effects. A5Tt3 Intermetallic Compounds between A=Ca, Sr, Ba, Eu and Tt=Si, Ge, Sn with Cr 5B 3-like Structures that are Stable Both as Binary and as Ternary Hydride and Fluoride Phases

    NASA Astrophysics Data System (ADS)

    Leon-Escamilla, E. Alejandro; Corbett, John D.

    2001-06-01

    All of the binary systems Ca, Sr, Ba, or Eu (A) with Tt (tetrel)=Si or Ge as well as Sr-Sn form both binary Cr5B3-type A5Tt3 phases and the corresponding ternary hydrides with stuffed Cr5B3- (Ca5Sn3F-) type structures. All of those tested, Ca-Si, Ba-Si, Ca-Ge, also yield the isotypic A5Tt3Fx phases. The tetragonal structures of Ca5Si3, Ca5Si3F0.42, Sr5Si3, Eu5Si3Hx, Ca5Ge3, Ca5Ge3Hx, Ca5Ge3F0.66(I4/mcm, No. 140) and of Ba5Si3F0.16 (P4/ncc, Ba5Si3-type) were refined from single-crystal X-ray diffraction data. The interstitial H, F atoms are bound in a constricted tetrahedral (A2+)4 cavity in the Cr5B3-type heavy atom structure, which can be described ideally as (A2+)5(Tt2)6-(Tt)4-. Many of 14 previous reports of the phases reported here were apparently hydrides according to lattice constant differences or, for Sr5Si3, the fractional coordinates of Sr2 about the tetrahedral site. An articulated model is developed that allows description of the relationship between the dimensions of the tetrahedral interstitial site and the cation cavity about Tt2 and for some matrix effects in this structure type. The model suggests limitations on the stability of these binary A5Tt3 compounds for the heavier tetrels, as observed. The resistivities of Ca5Ge3 and Ca5Ge3Hx are both characteristic of poor metals, and Pauli-like magnetic susceptibilities are exhibited by Ca5Ge3, Ca5Ge3Hx, Ca5Ge3F0.66, Sr5Ge3, and Sr5Sn3. The characteristic ideal Tt6-2 dimers are evidently not realistic descriptions for these phases; rather at least some of the π*4 electrons in the dimers are delocalized in a conduction band. This effect appears to be greater in two europium salts. Bond lengths of dimers in the Ca-Si and Ca-Ge families appear to shorten slightly in three instances of their oxidation to form the hydride or the fluoride, as might be expected.

  13. First-principles screening of complex transition metal hydrides for high temperature applications.

    PubMed

    Nicholson, Kelly M; Sholl, David S

    2014-11-17

    Metal hydrides with enhanced thermodynamic stability with respect to the associated binary hydrides are useful for high temperature applications in which highly stable materials with low hydrogen overpressures are desired. Though several examples of complex transition metal hydrides (CTMHs) with such enhanced stability are known, little thermodynamic or phase stability information is available for this materials class. In this work, we use semiautomated thermodynamic and phase diagram calculations based on density functional theory (DFT) and grand canonical linear programming (GCLP) methods to screen 102 ternary and quaternary CTMHs and 26 ternary saline hydrides in a library of over 260 metals, intermetallics, binary, and higher hydrides to identify materials that release hydrogen at higher temperatures than the associated binary hydrides and at elevated temperatures, T > 1000 K, for 1 bar H2 overpressure. For computational efficiency, we employ a tiered screening approach based first on solid phase ground state energies with temperature effects controlled via H2 gas alone and second on the inclusion of phonon calculations that correct solid phase free energies for temperature-dependent vibrational contributions. We successfully identified 13 candidate CTMHs including Eu2RuH6, Yb2RuH6, Ca2RuH6, Ca2OsH6, Ba2RuH6, Ba3Ir2H12, Li4RhH4, NaPd3H2, Cs2PtH4, K2PtH4, Cs3PtH5, Cs3PdH3, and Rb2PtH4. The most stable CTMHs tend to crystallize in the Sr2RuH6 cubic prototype structure and decompose to the pure elements and hydrogen rather than to intermetallic phases.

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

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

    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.

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

    PubMed Central

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

    2015-01-01

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

  16. Hydrogen-storing hydride complexes

    DOEpatents

    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.

  17. Reactions of aluminum and silicon in MgO-graphite composites and prediction of phase constitution using MTDATA

    SciTech Connect

    Artir, R.; Lee, W.E.; Argent, B.B.; Larsen, P.H.

    1995-08-01

    MgO-graphite refractory bricks have been fabricated with 0--6% antioxidizing additions of Si and Al. The phases and microstructures resulting from heat treatments in CO/N{sub 2} atmosphere at 1,173 and 1,873 K have been fully characterized using X-ray diffraction, polarized light, and scanning electron microscopy techniques. The metal additions react to form a variety of phases and preferentially oxidize protecting the carbon in the microstructure. Calculations performed with MTDATA and F*A*C*T were used to predict the phases likely to be present. All of the observed phases were predicted, and the dependence of the occurrence of the phases on temperature and position in the composite enabled a mechanism to be proposed for the formation of the principal features of the microstructure.

  18. PHASE EQUILIBRIA INVESTIGATIONS OF BINARY, TERNARY, AND HIGHER ORDER SYSTEMS. PART 2. EFFECT OF RHENIUM AND ALUMINUM ADDITIONS ON THE METAL-RICH EQUILIBRIA IN THE TITANIUM-MOLYBDENIUM-CARBON AND TITANIUM-NIOBIUM-CARBON SYSTEMS

    DTIC Science & Technology

    The solid state phase equilibria of the metal-rich regions of the Titanium-Molybdenum-Carbon and Titanium-Niobium-Carbon systems with up to 12 At...Rhenium and 10 At.% Aluminum additions, respectively, have been determined on hot pressed, heat treated, and in part arc melted alloys. The phase ... equilibria in the metal-rich regions, with these additions, is practically unchanged over that of the ternary Titanium-Molybdenum-Carbon and Titanium

  19. Hydride heat pump with heat regenerator

    NASA Technical Reports Server (NTRS)

    Jones, Jack A. (Inventor)

    1991-01-01

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

  20. High-pressure synthesis of lithium hydride

    NASA Astrophysics Data System (ADS)

    Howie, Ross T.; Narygina, Olga; Guillaume, Christophe L.; Evans, Shaun; Gregoryanz, Eugene

    2012-08-01

    By compressing elemental lithium and hydrogen in a diamond anvil cell, we have synthesized lithium hydride (LiH) at pressures as low as 50 MPa at room temperature. Combined Raman spectroscopy and synchrotron x-ray diffraction measurements reveal that, once synthesized, LiH remains stable at 300 K up to 160 GPa in the presence of molecular hydrogen. The mixture of lithium hydride and molecular hydrogen and application of pressure alone cannot form a higher H2 content hydride (LiHx, x>1) as was suggested from the theoretical ab initio calculations and therefore, cannot be considered as a route to low-pressure hydrogen rich material metallization.

  1. Comparative Studies of Silicon Dissolution in Molten Aluminum Under Different Flow Conditions Part II: Two-Phase Flow

    NASA Astrophysics Data System (ADS)

    Seyed Ahmadi, Mehran; Argyropoulos, Stavros A.; Bussmann, Markus; Doutre, Don

    2015-03-01

    Following on a study of Si dissolution in molten Al, the effect of gas agitation is examined. The effects of gas flow rate, liquid bulk velocity, the position of a top injection lance, and bath temperature on the dissolution rate are quantified. A higher gas flow rate produced larger bubbles while bubble frequency remained relatively unchanged. This resulted in larger bubble-induced fluctuating velocities which in turn increased the dissolution rate. At lower bulk velocities, the effect of gas agitation is localized around the lance. By increasing the velocity, the effect of gas agitation is transported further into the bath. The dissolution rate enhancement varies with increasing bulk velocity, and explanations are provided. When combined with a bulk flow, gas agitation increases the dissolution rate regardless of lance position. Also, the enhancement of dissolution rate due to gas injection decreases at higher superheats, as the higher bath temperature increases the mass boundary thickness. In addition, the dissolution rate without gas agitation (single-phase flow) and with gas agitation (two-phase flow) is compared in terms of mean mass transfer coefficients. It was found that for the same liquid bulk velocities, the mean mass transfer coefficients are higher in two-phase flow than in single-phase flow. Finally, an increment to the single-phase flow bulk velocity that would be required to gain parity with the two-phase flow dissolution rate rise is demonstrated.

  2. Metastable phases in the aluminum-germanium alloy system: Synthesis by mechanical alloying and pressure induced transformations

    SciTech Connect

    Yvon, Pascal

    1994-01-01

    Al and Ge form a simple equilibrium eutectic with limited mutual solubility and no intermetallic intermediate phases. We used a regular solution approach to model effects of pressure on Al-Ge. Effects of pressure are to extend solubility of Ge in Al, to displace the eutectic composition towards the Ge rich side, and to slightly decrease the eutectic temperature. We designed thermobaric treatments to induce crystal-to-glass transformations in fine grain mixtures of Al and Ge. We used Merrill-Bassett diamond anvil cells to perform experiments at high pressures. We built an x-ray apparatus to determine the structure of alloys at pressure and from cryogenic temperatures to 400C. Two-phase Al-Ge samples with fine microstructures were prepared by splat-quenching and mechanical alloying. We observed a crystal-to-glass transformation at about 80 kbar. The amorphous phase formed was metastable at ambient temperature after pressure release. This was confirmed by TEM. The amorphous phase obtained by pressurization was found to have a liquid-like structure and was metallic. In the TEM samples we also observed the presence of a second amorphous phase formed upon release of the pressure. This second phase had a tetrahedrally-bonded continuous random network structure, similar to that of semi-conducting amorphous germanium.

  3. Silico-ferrite of Calcium and Aluminum (SFCA) Iron Ore Sinter Bonding Phases: New Insights into Their Formation During Heating and Cooling

    NASA Astrophysics Data System (ADS)

    Webster, Nathan A. S.; Pownceby, Mark I.; Madsen, Ian C.; Kimpton, Justin A.

    2012-12-01

    The formation of silico-ferrite of calcium and aluminum (SFCA) and SFCA-I iron ore sinter phases during heating and cooling of synthetic iron ore sinter mixtures in the range 298 K to 1623 K (25 °C to 1350 °C) and at oxygen partial pressure of 5 × 10-3 atm has been characterized using in situ synchrotron X-ray diffraction. SFCA and SFCA-I are the key bonding phases in iron ore sinter, and an improved understanding of their formation mechanisms may lead to improved efficiency of industrial sintering processes. During heating, SFCA-I formation at 1327 K to 1392 K (1054 °C to 1119 °C) (depending on composition) was associated with the reaction of Fe2O3, 2CaO·Fe2O3, and SiO2. SFCA formation (1380 K to 1437 K [1107 °C to 1164 °C]) was associated with the reaction of CaO·Fe2O3, SiO2, and a phase with average composition 49.60, 9.09, 0.14, 7.93, and 32.15 wt pct Fe, Ca, Si, Al, and O, respectively. Increasing Al2O3 concentration in the starting sinter mixture increased the temperature range over which SFCA-I was stable before the formation of SFCA, and it stabilized SFCA to a higher temperature before it melted to form a Fe3O4 + melt phase assemblage (1486 K to 1581 K [1213 °C to 1308 °C]). During cooling, the first phase to crystallize from the melt (1452 K to 1561 K [1179 °C to 1288 °C]) was an Fe-rich phase, similar in composition to SFCA-I, and it had an average composition 58.88, 6.89, 0.82, 3.00, and 31.68 wt pct Fe, Ca, Si, Al, and O, respectively. At lower temperatures (1418 K to 1543 K [1145 °C to 1270 °C]), this phase reacted with melt to form SFCA. Increasing Al2O3 increased the temperature at which crystallization of the Fe-rich phase occurred, increased the temperature at which crystallization of SFCA occurred, and suppressed the formation of Fe2O3 (1358 K to 1418 K [1085 °C to 1145 °C]) to lower temperatures.

  4. Fabrication of Aluminum Foams with Small Pore Size by Melt Foaming Method

    NASA Astrophysics Data System (ADS)

    Cheng, Ying; Li, Yanxiang; Chen, Xiang; Shi, Tong; Liu, Zhiyong; Wang, Ningzhen

    2017-01-01

    This article introduces an improvement to the fabrication of aluminum foams with small pore size by melt foaming method. Before added to the melt, the foaming agent (titanium hydride) was pretreated in two steps. It firstly went through the traditional pre-oxidation treatment, which delayed the decomposition of titanium hydride and made sure the dispersion stage was controllable. Then such pre-oxidized titanium hydride powder was mixed with copper powder in a planetary ball mill. This treatment can not only increase the number of foaming agent particles and make them easier to disperse in the melt, which helps to increase the number of pores, but also reduce the amount of hydrogen released in the foaming stage. Therefore, the pore size could be decreased. Using such a ball-milled foaming agent in melt foaming method, aluminum foams with small pore size (average size of 1.6 mm) were successfully fabricated.

  5. Fabrication of Aluminum Foams with Small Pore Size by Melt Foaming Method

    NASA Astrophysics Data System (ADS)

    Cheng, Ying; Li, Yanxiang; Chen, Xiang; Shi, Tong; Liu, Zhiyong; Wang, Ningzhen

    2017-04-01

    This article introduces an improvement to the fabrication of aluminum foams with small pore size by melt foaming method. Before added to the melt, the foaming agent (titanium hydride) was pretreated in two steps. It firstly went through the traditional pre-oxidation treatment, which delayed the decomposition of titanium hydride and made sure the dispersion stage was controllable. Then such pre-oxidized titanium hydride powder was mixed with copper powder in a planetary ball mill. This treatment can not only increase the number of foaming agent particles and make them easier to disperse in the melt, which helps to increase the number of pores, but also reduce the amount of hydrogen released in the foaming stage. Therefore, the pore size could be decreased. Using such a ball-milled foaming agent in melt foaming method, aluminum foams with small pore size (average size of 1.6 mm) were successfully fabricated.

  6. Physicochemical properties of magnesium aluminum silicate (smectone) gels prepared using electrolytic-reduction ion water (2): Effects of various salts on the phase diagram.

    PubMed

    Okajima, Masahiro; Shimokawa, Ken-ichi; Ishii, Fumiyoshi

    2009-09-01

    We produced gels using electrolytic-reduction ion water and magnesium aluminum silicates (smectone), and evaluated in detail gel properties in the presence of various types of salt (NaCl, KCl, CaCl(2), MgCl(2), and AlCl(3)). Each salt was added to deionized-distilled water or electrolytic-reduction ion water, and phase diagrams for the smectone concentration (2.0-4.0%) were produced. The areas of the three phases of smectone (gel, sol, and separation) at each salt concentration were expressed as percentages of the total area. As a result, uni- and polyvalent cations (excluding Ca(2+) ions) affected the stability of gels produced using electrolytic-reduction ion water, and, particularly, univalent cations (Na(+), K(+)) markedly improved gel stability. Using electrolytic-reduction ion water as a dispersal medium, drug delivery systems (DDS) that can maintain the gelling state can be prepared. Thus, gel preparations with maintained functions or controlled-release transdermal drugs can be obtained.

  7. Phase-dependent interference between frequency doubled comb lines in a χ(2) phase-matched aluminum nitride microring.

    PubMed

    Jung, Hojoong; Guo, Xiang; Zhu, Na; Papp, Scott B; Diddams, Scott A; Tang, Hong X

    2016-08-15

    Nonlinear optical conversion with frequency combs is important for self-referencing and for generating shorter wavelength combs. Here we demonstrate efficient frequency comb doubling through the combination of second-harmonic generation (SHG) and sum-frequency generation (SFG) of an input comb with a high Q, phase-matched χ(2) microring resonator. Phase coherence of the SHG and SFG nonlinear conversion processes is confirmed by sinusoidal phase-dependent interference between frequency doubled comb lines.

  8. Hydriding of TiZrNiFe nanocompounds

    NASA Astrophysics Data System (ADS)

    Żywczak, A.; Shinya, Daigo; Gondek, Ł.; Takasaki, Akito; Figiel, H.

    2010-01-01

    Ti-based quasicrystals belong to the second largest group of the stable quasicrystals, showing attractive properties as hydrogen storage materials. The Ti 45Zr 38Ni 17 intermetallic compound forms an icosahedral ( i-phase) structure, in which Ti and Zr atoms possess very good chemical affinity for hydrogen absorption. We modified the Ti 45Zr 38Ni 17 compounds by substituting 3d metals (iron) for Ni to obtain amorphous phase. The samples were produced by mechanical alloying. The 3d metal atoms are located in the same positions as nickel. The structural characterization was made by means of XRD measurements. Thermodynamic properties were studied by differential scanning calorimetry (DSC) and thermal desorption spectroscopy (TDS). The obtained amorphous phases Ti 45Zr 38Ni (9,13)Fe (8,4) transform to the i-phase at the similar temperature range as Ti 45Zr 38Ni 17. The final concentration of absorbed hydrogen depends on the amount of Fe. When increasing the amount of iron, the hydrogen release temperature becomes lower. After hydriding, the samples decompose into simple metal hydrides.

  9. Method of forming metal hydride films

    NASA Technical Reports Server (NTRS)

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

    1977-01-01

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

  10. Sealed aerospace metal-hydride batteries

    NASA Technical Reports Server (NTRS)

    Coates, Dwaine

    1992-01-01

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

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

    PubMed

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

    2013-09-28

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

  12. The study of aluminum loss and consequent phase transformation in heat-treated acid-leached kaolin

    SciTech Connect

    Foo, Choo Thye; Mahmood, Che Seman; Mohd Salleh, Mohamad Amran

    2011-04-15

    This study investigates the effect of Al leaching during Fe removal from kaolin to mullite. Heat-treated kaolin was obtained by heating natural kaolin at 400, 500, 600, 700, 800 and 900 deg. C. The heat-treated kaolin was then leached at 100 deg. C with 4 M, 3 M, 2 M, 1 M, 0.2 M solution of H{sub 2}SO{sub 4} and 0.2 M solution of oxalic acid. The dried samples were sintered to 1300 deg. C for 4 h at a heating rate of 10 deg. C min{sup -1}. X-ray diffractometry and differential thermal analysis were used to study the phase transformation of kaolin to mullite. It was found that 700 deg. C is the optimum preheat-treatment temperature to leach out Fe and also Al for both types of the acids used. The majority of the 4 M sulfuric acid-treated kaolins formed the cristobalite phase when sintered. On the other hand, 1 M, 0.2 M sulfuric acid and 0.2 M oxalic acid leached heat-treated kaolin formed mullite and quartz phase after sintering. - Research Highlights: {yields} Preheat-treatment of kaolin improves the leachability of unwanted iron. {yields} The optimum preheat-treatment temperature is 700 deg. C. {yields} Sintered 4 M sulfuric acid-treated kaolin majorly formed the cristobalite phase. {yields} Sintered 0.2 M oxalic acid-treated kaolin formed lesser amorphous silicate phase.

  13. Aluminum phosphide

    Integrated Risk Information System (IRIS)

    Aluminum phosphide ; CASRN 20859 - 73 - 8 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinoge

  14. Charging efficiency of metal-hydride electrodes

    NASA Astrophysics Data System (ADS)

    Chen, J.; Dou, S. X.; Bradhurst, D.; Liu, H. K.

    The charging efficiencies of MmNi 5, MmNi 4.5Mn 0.5, MmNi 3.8Co 0.7Mn 0.5, ZrV 0.6Ni 1.4, ZrV 0.6Mn 0.4Ni 1.0, ZrV 0.6Mn 0.4Co 0.2Ni 0.8 allay electrodes (Mm = Mischmetal) are investigated in terms of hydrogen evolution. Experiments are conducted to optimize: (i) elemental composition of the MmNi 5 system and Zr-based Laves-phase hydrogen storage alloys; (ii) additive materials, such as cobalt powder, nickel powder, Teflonized carbons, and acetylene black; (iii) the proportion of the additives in the alloy; (iv) the best percentage of the composite additives in the metal-hydride electrodes. The results show that the electrode activation, charging efficiency and high-rate discharge depend greatly on the active materials, as well as the type and the amount of the additives in the electrodes.

  15. Decarbonization process for carbothermically produced aluminum

    DOEpatents

    Bruno, Marshall J.; Carkin, Gerald E.; DeYoung, David H.; Dunlap, Sr., Ronald M.

    2015-06-30

    A method of recovering aluminum is provided. An alloy melt having Al.sub.4C.sub.3 and aluminum is provided. This mixture is cooled and then a sufficient amount of a finely dispersed gas is added to the alloy melt at a temperature of about 700.degree. C. to about 900.degree. C. The aluminum recovered is a decarbonized carbothermically produced aluminum where the step of adding a sufficient amount of the finely dispersed gas effects separation of the aluminum from the Al.sub.4C.sub.3 precipitates by flotation, resulting in two phases with the Al.sub.4C.sub.3 precipitates being the upper layer and the decarbonized aluminum being the lower layer. The aluminum is then recovered from the Al.sub.4C.sub.3 precipitates through decanting.

  16. Syntheses and properties of several metastable and stable hydrides derived from intermetallic compounds under high hydrogen pressure

    NASA Astrophysics Data System (ADS)

    Filipek, S. M.; Paul-Boncour, V.; Liu, R. S.; Jacob, I.; Tsutaoka, T.; Budziak, A.; Morawski, A.; Sugiura, H.; Zachariasz, P.; Dybko, K.; Diduszko, R.

    2016-12-01

    Brief summary of our former work on high hydrogen pressure syntheses of novel hydrides and studies of their properties is supplemented with new results. Syntheses and properties of a number of hydrides (unstable, metastable or stable in ambient conditions) derived under high hydrogen pressure from intermetallic compounds, like MeT2, MeNi5, Me7T3, Y6Mn23 and YMn12 (where Me = zirconium, yttrium or rare earth; T = transition metal) are presented. Stabilization of ZrFe2H4 due to surface phenomena was revealed. Unusual role of manganese in hydride forming processes is pointed out. Hydrogen induced phase transitions, suppression of magnetism, antiferromagnetic-ferromagnetic and metal-insulator or semimetal-metal transitions are described. Equations of state (EOS) of hydrides submitted to hydrostatic pressures up to 30 GPa are presented and discussed.

  17. Metastable Metal Hydrides for Hydrogen Storage

    DOE PAGES

    Graetz, Jason

    2012-01-01

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

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

    PubMed

    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.

  19. Phenolic composition of pomegranate peel extracts using an LC-MS approach with silica hydride columns

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The peels of different pomegranate cultivars (Molla Nepes, Parfianka, Purple Heart, Wonderful and Vkunsyi) were compared in terms of phenolic composition and total phenolics. Analyses were performed on two silica hydride-based stationary phases: phenyl and undecenoic acid columns. Quantitation was ...

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

    SciTech Connect

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

    2011-07-01

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

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

    PubMed

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

    2015-12-01

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

  2. Numerical analysis on performance of naphthalene phase change thermal storage system in aluminum plate-fin unit

    NASA Astrophysics Data System (ADS)

    Yang, Lin; Peng, Hao; Ling, Xiang; Dong, Huihua

    2015-02-01

    This paper presents a numerical simulation for the prediction of time, temperature and liquid fraction during the melting and solidification process in the latent heat storage of phase changed materials (PCM). The mathematical model, regarding the solid-liquid phase change heat transfer based on the enthalpy formulation, has been proposed. Naphthalene was used as the PCM which is contained in up layer of plate-fin thermal storage. Transient simulations were performed using a commercial computational fluid dynamics package, Fluent, based on the finite volume method. This computational model endeavored to describe both the melting and solidification processes of the PCM. A series of numerical calculations have been done in order to analyses the influence of several heat transfer fluid operating conditions and several fin geometric parameters on the thermal storage unit. Numerical results, which could be used for operating conditions and geometry optimization, provide guideline for the design of the latent thermal energy storage system.

  3. Production of anhydrous aluminum chloride composition

    DOEpatents

    Vandergrift, G.F. III; Krumpelt, M.; Horwitz, E.P.

    1981-10-08

    A process is described for producing an anhydrous aluminum chloride composition from a water-based aluminous material such as a slurry of aluminum hydroxide in a multistage extraction process in which the aluminum ion is first extracted into an organic liquid containing an acidic extractant and then extracted from the organic phase into an alkali metal chloride or chlorides to form a melt containing a mixture of chlorides of alkali metal and aluminum. In the process, the organic liquid may be recycled. In addition, the process advantageously includes an electrolysis cell for producing metallic aluminum and the alkali metal chloride or chlorides may be recycled for extraction of the aluminum from the organic phase.

  4. A new phase in the system lithium-aluminum: Characterization of orthorhombic Li{sub 2}Al

    SciTech Connect

    Puhakainen, Kati; Bostroem, Magnus; Groy, Thomas L.; Haeussermann, Ulrich

    2010-11-15

    Investigation of the Li rich part of the binary Li-Al system revealed the existence of a new phase, orthorhombic Li{sub 2}Al, which is isostructural to Li{sub 2}Ga and Li{sub 2}In. The crystal structure was determined from single crystal X-ray diffraction data (Cmcm, a=4.658(2) A, b=9.767(4) A, c=4.490(2) A, Z=4). Refinement of atomic position site occupancies yielded a composition Li{sub 1.92}Al{sub 1.08} (64 at% Li) indicating a small homogeneity range, Li{sub 2-x}Al{sub 1+x}. Li{sub 2}Al is the peritectic decomposition product of the stoichiometric compound Li{sub 9}Al{sub 4}, which is stable below 270{+-}2 {sup o}C. Li{sub 2}Al itself decomposes peritectically to Li{sub 3}Al{sub 2} and Li rich melt at 335{+-}2 {sup o}C. The discovery of Li{sub 2}Al (Li{sub 2-x}Al{sub 1+x}) settles a long standing inconsistency in the Li-Al phase diagram which was based on the assumption that Li{sub 9}Al{sub 4} possesses a high temperature modification. - Graphical abstract: A new phase, Li{sub 2}Al, has been discovered in the binary Li-Al system. The structure of orthorhombic Li{sub 2}Al is closely related to that of the established monoclinic phase Li{sub 9}Al{sub 4}.

  5. Characterization of phase equilibria and oxidation behavior of aluminum-lithium alloys by electron, ion, and neutron beams

    SciTech Connect

    Soni, K.K.

    1991-01-01

    Secondary ion mass spectrometry (SIMS) and neutron-depth profiling (NDP) were used, in a complementary way, for the characterization of the Li distribution in Al-Li alloys in order to study their phase equilibria and oxidation behavior. SIMS compositional imaging of alloys containing T{sub 1} (Al{sub 2}LiCu), T{sub 2} (Al{sub 6}Li{sub 3}Cu), and T{sub B} (Al{sub 7.5}Cu{sub 4}Li) showed a lack of equilibrium between these phases and a non-uniform Cu distribution. Observation regarding some trace-element distributions were also made. The second-phase particles were identified by electron diffraction and x-ray microanalysis as Al{sub 3}Fe and these particles contained no Li. Oxidation of binary Al-Li alloys at high temperature produced a characteristic nodular oxide morphology. Examination of the oxide/alloy interface indicated preferential nucleation of the oxide at the grain boundaries followed by initial lateral growth. The oxide layer also exhibited surface facets due to surface reconstruction during the reaction. Oxidation of Al-Li-Mg alloys led to depletion of both Li and Mg to nearly equal extent. From these depletion profiles, the interdiffusion coefficients for the Al-Li-Mg-(Cu) alloys were calculated.

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

    SciTech Connect

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

    2011-02-14

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

  7. Two-Phase CFD Model of the Bubble-Driven Flow in the Molten Electrolyte Layer of a Hall-Héroult Aluminum Cell

    NASA Astrophysics Data System (ADS)

    Feng, Yuqing; Schwarz, M. Philip; Yang, William; Cooksey, Mark

    2015-08-01

    A two-phase computational fluid dynamics (CFD) model has been developed to simulate the time-averaged flow in the molten electrolyte layer of a Hall -Héroult aluminum cell. The flow is driven by the rise of carbon dioxide bubbles formed on the base of the anodes. The CFD model has been validated against detailed measurements of velocity and turbulence taken in a full-scale air-water physical model containing three anodes in four different configurations, with varying inter-anode gap and the option of slots. The model predictions agree with the measurements of velocity and turbulence energy for all configurations within the likely measurement repeatability, and therefore can be used to understand the overall electrolyte circulation patterns and mixing. For example, the model predicts that the bubble holdup under an anode is approximately halved by the presence of a slot aligned transverse to the cell long axis. The flow patterns do not appear to be significantly altered by halving the inter-anode gap width from 40 to 20 mm. The CFD model predicts that the relative widths of center, side, and end channels have a major influence on several critical aspects of the cell flow field.

  8. The double role played by the Gd 2O 3 in the gadolinium-aluminum-borate-bismuthate quaternary glass forming tendency. GdBO 3 crystalline phase

    NASA Astrophysics Data System (ADS)

    Rada, S.; Culea, M.; Rada, M.; Pascuta, P.; Maties, V.; Culea, E.

    2009-11-01

    Glasses and glass-ceramics in the xGd 2O 3·(100 - x)[2Bi 2O 3·B 2O 3·Al 2O 3] system with x = 0, 1, 5, 10, 15, 20, 25, 30, 35, 50 mol% Gd 2O 3 have been prepared by the melt quenching method. The changes of the IR spectral features suggest that the formation of [BO 4] tetrahedra is reduced because the modified [BO 3] units containing one or more B-O-Gd bonds are unable to accept the fourth oxygen. Based on our results, we conclude that the accommodation of the networks with the excess of oxygen is possible by the deformation of Bi-O-Bi linkages, the participation of aluminum atoms as network formers and the intercalation of [BiO 6] and [AlO 4] entities in the [BO 4] chain network. When high Gd 2O 3 content is introduced, more [BO 3] structural units are coupled with gadolinium ions and the accumulation of oxygen can be supported by the formation of new [BO 3] -3 structural units as ortho-borate units. These yield the formation of GdBO 3 crystalline phase which has been confirmed by XRD investigations. Comparing the theoretical and experimental IR spectral characteristic features, we conclude that the prediction of the structural data is good.

  9. Nickel-aluminum layered double hydroxide as a nanosorbent for selective solid-phase extraction and spectrofluorometric determination of salicylic acid in pharmaceutical and biological samples.

    PubMed

    Abdolmohammad-Zadeh, H; Kohansal, S; Sadeghi, G H

    2011-04-15

    The nickel-aluminum layered double hydroxide (Ni-Al LDH) was synthesized by a simple co-precipitation method and used as a solid-phase extraction (SPE) sorbent for separation and pre-concentration of trace levels of salicylic acid (SA) from aqueous solutions. Extraction of analyte is based on the adsorption of salicylate ions on the Ni-Al (NO(3)(-)) LDH and/or their exchanging with LDH interlayer NO(3)(-) ions. The retained analyte on the LDH was stripped by 3 mol L(-1) NaOH solution and its concentration was subsequently determined spectrofluorometrically at λ(em)=400 nm with excitation at λ(ex)=270 nm. Various parameters affecting the extraction efficiency of SA on the Ni-Al (NO(3)(-)) LDH, such as pH, amount of nano-sorbent, sample loading flow rate, elution conditions, sample volume and matrix effects were investigated. In the optimum experimental conditions, the limit of detection (3s) and enrichment factor were 0.12 μg L(-1) and 40, respectively. The relative standard deviation (RSD) for six replicate determinations of 10 μg L(-1) SA was 2.3%. The calibration graph using the pre-concentration system was linear in the range of 0.3-45 μg L(-1) with a correlation coefficient of 0.9985. The optimized method was successfully applied to the determination of SA in blood serum, willow leaf and aspirin tablet.

  10. Study of mechanical joint strength of aluminum alloy 7075-T6 and dual phase steel 980 welded by friction bit joining and weld-bonding under corrosion medium

    DOE PAGES

    Lim, Yong Chae; Squires, Lile; Pan, Tsung-Yu; ...

    2014-12-30

    We have employed a unique solid-sate joining process, called friction bit joining (FBJ), to spot weld aluminum alloy (AA) 7075-T6 and dual phase (DP) 980 steel. Static joint strength was studied in the lap shear tension configuration. In addition, weld-bonding (adhesive + FBJ) joints were studied in order to evaluate the ability of adhesive to mitigate the impact of corrosion on joint properties. Accelerated laboratory cyclic corrosion tests were carried out for both FBJ only and weld-bonding joints. Furthermore, the FBJ only joints that emerged from corrosion testing had lap shear failure loads that were significantly lower than freshly preparedmore » joints. However, weld-bonding specimens retained more than 80% of the lap shear failure load of the freshly prepared weld-bonding specimens. Moreover, examination of joint cross sections confirmed that the presence of adhesive in the weld-bonding joints mitigated the effect of the corrosion environment, compared to FBJ only joints.« less

  11. Development of physics based analytical interatomic potential for palladium-hydride.

    PubMed

    Park, Young Ho; Hijazi, Iyad

    2017-04-01

    Palladium hydrides (Pd-H) research is an important topic in materials research with many practical industrial applications. The complex behavior of the Pd-H alloy system such as phase miscibility gap, however, presents a huge challenge for developing reliable computational models. The embedded atom method (EAM) offers an advantage of computational efficiency and being suited to the metal-hydride system. We propose a new EAM interatomic potential for the complete mathematical modeling of palladium hydride. The present interatomic potential well predicts the lattice constant, cohesive energy, bulk modulus, other elastic constants, and stable alloy crystal structures during molecular dynamics simulations. The phase miscibility gap is also accurately predicted for the Pd-H system using the present potential. To our knowledge, only two Pd-H EAM potentials were used for predicting the phase miscibility gap for the PdH system. The predicted values from these works, however, considerably deviated from the experimental result, which hinders further application to the palladium hydride system. The present potential is reliably accurate and can be used to study the Pd-H system with its compete description of the mathematical formalism.

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

    SciTech Connect

    Motyka, T.

    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

  13. Hydride fuel behavior in LWRs

    NASA Astrophysics Data System (ADS)

    Olander, Donald R.; Ng, Marowen

    2005-11-01

    The U-Zr hydride U 0.31ZrH 1.6 offers a number of advantages over oxide fuel for light-water reactors. Fission-gas release appears to be very small (release fraction ˜10 -4) up to 600 °C, which is close to the maximum fuel temperature. Initial irradiation-induced swelling can be as large as 5% for temperatures exceeding 650 °C. Hydrogen redistributes due to the non-uniform temperature in the fuel from the as-fabricated H/Zr of 1.6 to one that is higher at the pellet periphery than at the centerline. Radial redistribution produces 'hydrogen' stresses in the pellet which add to the usual thermal stresses. In a helium-bonded fuel rod, the total stresses are less than the fracture stress; in a liquid-metal-bonded fuel rod, the fracture stress is exceeded in the central portion of the pellet, but the surface remains in compression. Axial redistribution moves substantial quantities of hydrogen from the middle portion of the fuel stack to the ends. The neutronic effect of this displacement of the moderator is unknown.

  14. Thin-film metal hydrides.

    PubMed

    Remhof, Arndt; Borgschulte, Andreas

    2008-12-01

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

  15. 49 CFR 173.311 - Metal hydride storage systems.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 2 2014-10-01 2014-10-01 false Metal hydride storage systems. 173.311 Section 173... REQUIREMENTS FOR SHIPMENTS AND PACKAGINGS Gases; Preparation and Packaging § 173.311 Metal hydride storage systems. The following packing instruction is applicable to transportable UN Metal hydride storage...

  16. 49 CFR 173.311 - Metal hydride storage systems.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 2 2011-10-01 2011-10-01 false Metal hydride storage systems. 173.311 Section 173... REQUIREMENTS FOR SHIPMENTS AND PACKAGINGS Gases; Preparation and Packaging § 173.311 Metal hydride storage systems. The following packing instruction is applicable to transportable UN Metal hydride storage...

  17. 49 CFR 173.311 - Metal hydride storage systems.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 2 2012-10-01 2012-10-01 false Metal hydride storage systems. 173.311 Section 173... REQUIREMENTS FOR SHIPMENTS AND PACKAGINGS Gases; Preparation and Packaging § 173.311 Metal hydride storage systems. The following packing instruction is applicable to transportable UN Metal hydride storage...

  18. 49 CFR 173.311 - Metal hydride storage systems.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 2 2013-10-01 2013-10-01 false Metal hydride storage systems. 173.311 Section 173... REQUIREMENTS FOR SHIPMENTS AND PACKAGINGS Gases; Preparation and Packaging § 173.311 Metal hydride storage systems. The following packing instruction is applicable to transportable UN Metal hydride storage...

  19. CATALYST ACTIVITY MAINTENANCE FOR THE LIQUID PHASE SYNTHESIS GAS-TO-DIMETHYL ETHER PROCESS PART II: DEVELOPMENT OF ALUMINUM PHOSPHATE AS THE DEHYDRATION CATALYST FOR THE SINGLE-STEP LIQUID PHASE SYNGAS-TO-DME PROCESS

    SciTech Connect

    Xiang-Dong Peng

    2002-05-01

    At the heart of the single-step liquid phase syngas-to-DME process (LPDME{trademark}) is a catalyst system that can be active as well as stable. In the Alternative Fuels I program, a dual-catalyst system containing a Cu-based commercial methanol synthesis catalyst (BASF S3-86) and a commercial dehydration material ({gamma}-alumina) was demonstrated. It provided the productivity and selectivity expected from the LPDME process. However, the catalyst system deactivated too rapidly to warrant a viable commercial process [1]. The mechanistic investigation in the early part of the DOE's Alternative Fuels II program revealed that the accelerated catalyst deactivation under LPDME conditions is due to detrimental interaction between the methanol synthesis catalyst and methanol dehydration catalyst [2,3]. The interaction was attributed to migration of Cu- and/or Zn-containing species from the synthesis catalyst to the dehydration catalyst. Identification of a dehydration catalyst that did not lead to this detrimental interaction while retaining adequate dehydration activity was elusive. Twenty-nine different dehydration materials were tested, but none showed the desired performance [2]. The search came to a turning point when aluminum phosphate was tested. This amorphous material is prepared by precipitating a solution containing Al(NO{sub 3}){sub 3} and H{sub 3}PO{sub 4} with NH{sub 4}OH, followed by washing, drying and calcination. The aluminum phosphate catalyst has adequate dehydration activity and good stability. It can co-exist with the Cu-based methanol synthesis catalyst without negatively affecting the latter catalyst's stability. This report documents the details of the development of this catalyst. These include initial leads, efforts in improving activity and stability, investigation and development of the best preparation parameters and procedures, mechanistic understanding and resulting preparation guidelines, and the accomplishments of this work.

  20. Nickel-Aluminum Layered Double Hydroxide Coating on the Surface of Conductive Substrates by Liquid Phase Deposition.

    PubMed

    Maki, Hideshi; Takigawa, Masashi; Mizuhata, Minoru

    2015-08-12

    The direct synthesis of the adhered Ni-Al LDH thin film onto the surface of electrically conductive substrates by the liquid phase deposition (LPD) reaction is carried out for the development of the positive electrode. The complexation and solution equilibria of the dissolved species in the LPD reaction have been clarified by a theoretical approach, and the LPD reaction conditions for the Ni-Al LDH depositions are shown to be optimized by controlling the fluoride ion concentration and the pH of the LPD reaction solutions. The yields of metal oxides and hydroxides by the LPD method are very sensitive to the supersaturation state of the hydroxide in the reaction solution. The surfaces of conductive substrates are completely covered by the minute mesh-like Ni-Al LDH thin film; furthermore, there is no gap between the surfaces of conductive substrates and the deposited Ni-Al LDH thin film. The active material layer thickness was able to be controlled within the range from 100 nm to 1 μm by the LPD reaction time. The high-crystallinity and the arbitrary-thickness thin films on the conductive substrate surface will be beneficial for the interface control of charge transfer reaction fields and the internal resistance reduction of various secondary batteries.

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

    SciTech Connect

    Paxton, Blaine Kermit

    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.

  2. Optical properties of metal-hydride switchable films

    NASA Astrophysics Data System (ADS)

    Griessen, Ronald

    2001-03-01

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

  3. Aluminum-stabilized NB3SN superconductor

    DOEpatents

    Scanlan, Ronald M.

    1988-01-01

    An aluminum-stabilized Nb.sub.3 Sn superconductor and process for producing same, utilizing ultrapure aluminum. Ductile components are co-drawn with aluminum to produce a conductor suitable for winding magnets. After winding, the conductor is heated to convert it to the brittle Nb.sub.3 Sn superconductor phase, using a temperature high enough to perform the transformation but still below the melting point of the aluminum. This results in reaction of substantially all of the niobium, while providing stabilization and react-in-place features which are beneficial in the fabrication of magnets utilizing superconducting materials.

  4. Iron Group Hydrides in Noyori Bifunctional Catalysis.

    PubMed

    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.

  5. ReaxFF(MgH) reactive force field for magnesium hydride systems.

    PubMed

    Cheung, Sam; Deng, Wei-Qiao; van Duin, Adri C T; Goddard, William A

    2005-02-10

    We have developed a reactive force field (ReaxFF(MgH)) for magnesium and magnesium hydride systems. The parameters for this force field were derived from fitting to quantum chemical (QM) data on magnesium clusters and on the equations of states for condensed phases of magnesium metal and magnesium hydride crystal. The force field reproduces the QM-derived cell parameters, density, and the equations of state for various pure Mg and MgH(2) crystal phases as well as and bond dissociation, angle bending, charge distribution, and reaction energy data for small magnesium hydride clusters. To demonstrate one application of ReaxFF(MgH), we have carried out MD simulations on the hydrogen absorption/desorption process in magnesium hydrides, focusing particularly on the size effect of MgH(2) nanoparticles on H(2) desorption kinetics. Our results show a clear relationship between grain size and heat of formation of MgH(2); as the particle size decreases, the heat of formation increases. Between 0.6 and 2.0 nm, the heat of formation ranges from -16 to -19 kcal/Mg and diverges toward that of the bulk value (-20.00 kcal/Mg) as the particle diameter increases beyond 2 nm. Therefore, it is not surprising to find that Mg nanoparticles formed by ball milling (20-100 nm) do not exhibit any significant change in thermochemical properties.

  6. First-principles prediction of new complex transition metal hydrides for high temperature applications.

    PubMed

    Nicholson, Kelly M; Sholl, David S

    2014-11-17

    Metal hydrides with high thermodynamic stability are desirable for high-temperature applications, such as those that require high hydrogen release temperatures or low hydrogen overpressures. First-principles calculations have been used previously to identify complex transition metal hydrides (CTMHs) for high temperature use by screening materials with experimentally known structures. Here, we extend our previous screening of CTMHs with a library of 149 proposed materials based on known prototype structures and charge balancing rules. These proposed materials are typically related to known materials by cation substitution. Our semiautomated, high-throughput screening uses density functional theory (DFT) and grand canonical linear programming (GCLP) methods to compute thermodynamic properties and phase diagrams: 81 of the 149 materials are found to be thermodynamically stable. We identified seven proposed materials that release hydrogen at higher temperatures than the associated binary hydrides and at high temperature, T > 1000 K, for 1 bar H2 overpressure. Our results indicate that there are many novel CTMH compounds that are thermodynamically stable, and the computed thermodynamic data and phase diagrams should be useful for selecting materials and operating parameters for high temperature metal hydride applications.

  7. Characterization of a magnesium-based alloy after hydriding-dehydriding cycling (n=1-150)

    NASA Astrophysics Data System (ADS)

    Song, Myoung Youp; Kwon, Sung Nam; Park, Hye Ryoung; Mumm, Daniel R.

    2013-09-01

    The cycling performance of Mg-15 wt% Ni-5 wt% Fe2O3 alloy (named Mg-15Ni-5Fe2O3) was investigated by measuring the absorbed hydrogen quantity as a function of the number of cycles and by examining the variations in the phases and microstructures with cycling. The sample was hydriding-dehydriding cycled 150 times. The absorbed hydrogen quantity decreased as the number of cycles increased from the second to the 150th cycle. The Ha value varied almost linearly with the number of cycles. The maintainability of the absorbed hydrogen quantity was 73.8%, and the degradation rate was 0.007 wt%/cycle for the hydriding reaction time of 60 min. After the 9th hydriding-dehydriding cycle, Mg, Mg2Ni, MgO, and Fe were observed. After 150 cycles, the quantity of the MgO increased. The phases were analyzed using MDI JADE 6.5, a software system designed for XRD powder pattern processing, from the XRD pattern of the Mg-15Ni-5Fe2O3 alloy after the 9th hydriding-dehydriding cycle. The crystallite size and strain of the Mg were then estimated using the Williamson-Hall technique.

  8. Structure of the novel ternary hydrides Li4Tt2D (Tt=Si and Ge).

    PubMed

    Wu, Hui; Hartman, Michael R; Udovic, Terrence J; Rush, John J; Zhou, Wei; Bowman, Robert C; Vajo, John J

    2007-02-01

    The crystal structures of newly discovered Li4Ge2D and Li4Si2D ternary phases were solved by direct methods using neutron powder diffraction data. Both structures can be described using a Cmmm orthorhombic cell with all hydrogen atoms occupying Li6-octahedral interstices. The overall crystal structure and the geometry of these interstices are compared with those of other related phases, and the stabilization of this novel class of ternary hydrides is discussed.

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

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

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

  10. Hydride formation on deformation twin in zirconium alloy

    NASA Astrophysics Data System (ADS)

    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.

  11. Aluminum based metal-organic framework-polymer monolith in solid-phase microextraction of penicillins in river water and milk samples.

    PubMed

    Lirio, Stephen; Liu, Wan-Ling; Lin, Chen-Lan; Lin, Chia-Her; Huang, Hsi-Ya

    2016-01-08

    In this study, aluminum based metal-organic framework (Al-MOF)-organic polymer monoliths were prepared via microwave-assisted polymerization of ethylene dimethacrylate (EDMA), butyl methacrylate (BMA) with different weight percentages of Al-MOF (MIL-53; 37.5-62.5%) and subsequently utilized as sorbent in solid-phase microextraction (SPME) of penicillins (penicillin G, penicillin V, oxacillin, cloxacillin, dicloxacillin, nafcillin). The Al-MOF-polymer was characterized using Fourier transform infrared (FTIR) spectroscopy, powder X-ray diffraction (XRD), scanning electron microscopy (SEM) and SEM-energy-dispersive X-ray spectroscopy (SEM-EDS) to clarify the retained crystalline structure well as the homogeneous dispersion of Al-MOF (MIL-53) in polymer monolith. The developed Al-MOF-polymer (MIL-53) monolithic column was evaluated according to its extraction recovery of penicillins. Several parameters affecting the extraction recoveries of penicillins using fabricated Al-MOF-polymer (MIL-53) monolithic column including different MIL-53 weight percentages, column length, pH, desorption solvent, and mobile phase flow rate were investigated. For comparison, different Al-based MOFs (MIL-68, CYCU-4 and DUT-5) were fabricated using the optimized condition for MIL-53-polymer (sample matrix at pH 3, 200μL desorption volume using methanol, 37.5% of MOF, 4-cm column length at 0.100mLmin(-1) flow rate). Among all the Al-MOF-polymers, MIL-53(Al)-polymer still afforded the best extraction recovery for penicillins ranging from 90.5 to 95.7% for intra-day with less than 3.5% relative standard deviations (RSDs) and inter-day precision were in the range of 90.7-97.6% with less than 4.2% RSDs. Meanwhile, the recoveries for column-to-column were in the range of 89.5-93.5% (<3.4% RSDs) while 88.5-90.5% (<5.8% RSDs) for batch-to-batch (n=3). Under the optimal conditions, the limit of detections were in the range of 0.06-0.26μgL(-1) and limit of quantifications between 0.20 and 0.87

  12. The role of microcracking in ZrCrNi hydride electrodes

    SciTech Connect

    McCormack, M.; Badding, M.E.; Vyas, B.; Zahurak, S.M.; Murphy, D.W.

    1996-02-01

    As-cast ZrCrNi was found to exhibit high capacities and good cycle life when used as a hydride electrode in nickel/metal hydride batteries, but was extremely slow to activate. As-cast ZrCrNi was found to be comprised of a primary C14 Laves phase with a uniformly dispersed second phase of Zr{sub 7}Ni{sub 10}. When annealed to a single C14 phase, ZrCrNi delivered virtually no capacity. Microscopic studies of activated and unactivated material suggests that the key activation mechanism is the formation of a ubiquitous network of microcracks. A model is proposed to explain the formation of the microcracks and their role in activation. It is further shown that activation can be greatly accelerated by a pulse activation process.

  13. Development of calcium zirconate-based hydrogen sensors with oxide reference electrodes for molten aluminum

    NASA Astrophysics Data System (ADS)

    Krishnan, Vivek

    Hydrogen is a major cause of gas porosity in aluminum and is frequently removed from the melt prior to casting. The degassing process can be better controlled if the hydrogen content in the melt is known. Thus, gas sensors which can make continuous in situ measurements in molten aluminum are needed. Current online hydrogen sensing systems are complex designs which are prohibitively expensive. Solid electrolyte based potentiometric sensors have been developed as an attractive alternate. These sensors have traditionally used a gas phase as the reference electrode. The present design has a condensed-phase reference electrode to avoid the need for transport of the reference gas into and out of the melt. The use of an oxide rather than a hydride phase reference is expected to considerably lower device cost and improve shelf life and reliability. The sensor element consists of a solid electrolyte tube based on 10 mol% Indoped CaZrO3, which was synthesized using both solid oxide and oxalate co-precipitation techniques. Precursor oxalate powders prepared using polymeric surfactants (PEG) were characterized using SEM, XRD, FTIR and particle size analysis. PEG was found to reduce particle size and also influence the process of perovskite formation. The oxalate co-precipitation technique enabled powder synthesis at reduced processing time and temperature. Closed-one-end tubes were slip cast and densified for use as solid electrolytes. Impedance spectroscopy and D.C. resistance measurements were made at temperatures between 650 and 900°C. Undoped CaZrO3 was found to be a p-type conductor in air. Indoped CaZrO3 acted as a proton conductor in air and argon+H2O, whereas the material was found to be a p-type conductor in pure argon. While bulk conduction was found to be homogenous with activation energies matching those from D.C. measurements, conduction across the grain boundary was found to be heterogeneous. Potentiometric sensors using In-doped CaZrO3 as the electrolyte, and

  14. Ductility Evaluation of As-Hydrided and Hydride Reoriented Zircaloy-4 Cladding under Simulated Dry-Storage Condition

    SciTech Connect

    Yan, Yong; Plummer, Lee K; Ray, Holly B; Cook, Tyler S; Bilheux, Hassina Z

    2014-01-01

    Pre-storage drying-transfer operations and early stage storage expose cladding to higher temperatures and much higher pressure-induced tensile hoop stresses relative to normal operation in-reactor and pool storage under these conditions. Radial hydrides could precipitate during slow cooling and provide an additional embrittlement mechanism as the cladding temperature decreases below the ductile-to-brittle transition temperature. As a means of simulating this behavior, unirradiated hydrided Zircaloy-4 samples were fabricated by a gas charging method to levels that encompass the range of hydrogen concentrations observed in current used fuel. Mechanical testing was carried out by the ring compression test (RCT) method at various temperatures to evaluate the sample s ductility for both as-hydrided and post-hydride reorientation treated specimens. As-hydrided samples with higher hydrogen concentration (>800 ppm) resulted in lower strain before fracture and reduced maximum load. Increasing RCT temperatures resulted in increased ductility of the as-hydrided cladding. A systematic radial hydride treatment was conducted at various pressures and temperatures for the hydrided samples with H content around 200 ppm. Following the radial hydride treatment, RCTs on the hydride reoriented samples were conducted and exhibited lower ductility compared to as-hydrided samples.

  15. A thermokinetically driven metal-hydride actuator

    NASA Astrophysics Data System (ADS)

    Jung, Kwangmok; Kim, Kwang J.

    2008-03-01

    The purpose of this study is to develop a novel thermokinetically-driven actuator technology based on the physics of metal hydrides (MH's). A metal hydride absorbs and desorbs hydrogen due to the imposed temperature swing(s). The MH can also work as an effective thermally-driven hydrogen compressor producing more than 5,000 psia net pressure swing. The MH actuation system can be built in a simple structure, exhibits high power, produces soft actuating, and is essentially noiseless. Moreover, it is much more powerful and compact than conventional pneumatic systems that require bulky auxiliary systems. It is our belief that the MH actuators are useful for many emerging industrial, biorobotic, and civil structural applications. In this paper, we report the recent preliminary experimental results for a laboratory-prototyped MH actuation system. In particular, the dynamic response characteristics, enhanced controllability, thermodynamic performances, and reliability of the metal hydride actuator were studied in order to estimate the actuation capability of the MH actuator. A unique design of the MH actuator was created. It encases a so-called "porous metal hydride (PMH)" in the reactor to effectively achieve desirable performance by improving overall thermal conductance.

  16. X-Ray Topography of Hydride Domains.

    DTIC Science & Technology

    1983-04-01

    boundaries between hydride (deuteride) domains, and the irregular boundaries correspond to incoherent twin boundaries . Trace analysis of the coherent...topographs of the NbHo.78 and NbO 0 .75 crystals. As discussed by Schober and Linke (1976b), the straight boundaries correspond to coherent twin

  17. Metal hydride fuel storage and method thereof

    DOEpatents

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

    2006-10-17

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

  18. Metal hydride fuel storage and method thereof

    DOEpatents

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

    2009-05-05

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

  19. Aluminum Target Dissolution in Support of the Pu-238 Program

    SciTech Connect

    McFarlane, Joanna; Benker, Dennis; DePaoli, David W; Felker, Leslie Kevin; Mattus, Catherine H

    2014-09-01

    Selection of an aluminum alloy for target cladding affects post-irradiation target dissolution and separations. Recent tests with aluminum alloy 6061 yielded greater than expected precipitation in the caustic dissolution step, forming up to 10 wt.% solids of aluminum hydroxides and aluminosilicates. We present a study to maximize dissolution of aluminum metal alloy, along with silicon, magnesium, and copper impurities, through control of temperature, the rate of reagent addition, and incubation time. Aluminum phase transformations have been identified as a function of time and temperature, using X-ray diffraction. Solutions have been analyzed using wet chemical methods and X-ray fluorescence. These data have been compared with published calculations of aluminum phase diagrams. Temperature logging during the transients has been investigated as a means to generate kinetic and mass transport data on the dissolution process. Approaches are given to enhance the dissolution of aluminum and aluminosilicate phases in caustic solution.

  20. Study of the mechanical behavior of the hydride blister/rim structure in Zircaloy-4 using in-situ synchrotron X-ray diffraction

    NASA Astrophysics Data System (ADS)

    Lin, Jun-li; Han, Xiaochun; Heuser, Brent J.; Almer, Jonathan D.

    2016-04-01

    High-energy synchrotron X-ray diffraction was utilized to study the mechanical response of the f.c.c δ hydride phase, the intermetallic precipitation with hexagonal C14 lave phase and the α-Zr phase in the Zircaloy-4 materials with a hydride rim/blister structure near one surface of the material during in-situ uniaxial tension experiment at 200 °C. The f.c.c δ was the only hydride phase observed in the rim/blister structure. The conventional Rietveld refinement was applied to measure the macro-strain equivalent response of the three phases. Two regions were delineated in the applied load versus lattice strain measurement: a linear elastic strain region and region that exhibited load partitioning. Load partitioning was quantified by von Mises analysis. The three phases were observed to have similar elastic modulus at 200 °C.

  1. Design for aluminum recycling

    SciTech Connect

    Not Available

    1993-10-01

    This article describes the increasing use of aluminum in automobiles and the need to recycle to benefit further growth of aluminum applications by assuring an economical, high-quality source of metal. The article emphasizes that coordination of material specifications among designers can raise aluminum scrap value and facilitate recycling. Applications of aluminum in automobile construction are discussed.

  2. Effect of Casting Procedures and Diesel Engine Environment on the Behavior of Aluminum Titanate

    DTIC Science & Technology

    1990-04-01

    three phases. Phase 1 covered investigation of material properties and microstructures of aluminum titanate materials from three different manufacturers... Aluminum titanate exhibits desirable thermal properties of low thermal conductivity, low apparent thermal expansion and excellent thermal shock resistance...aspects of the material properties or casting performance. Phase I involved a study of aluminum titanate material properties as-received, after simulated

  3. Atomistic modeling of the plutonium-hydride systems

    NASA Astrophysics Data System (ADS)

    Lee, Tongsik; Baskes, Mike; Lawson, A. C.; Chen, Shaoping; Valone, Steve; Taylor, Chris

    2013-03-01

    Thermodynamic solubility data for hydrogen in plutonium and its alloys suggest the formation of vacancy-hydrogen clusters, for less than 2 at.% hydrogen. It is also known that hydrogen induces lattice contraction of the system. These data along with the low melting point of Pu meet the conditions for superabundant vacancies, which can significantly affect material properties and phase stability. Detailed mechanisms for vacancy diffusion and hydrogen trapping at the atomic scale are largely unknown, however. We investigate the equilibrium properties of Pu-hydrides using various techniques of Monte Carlo simulations. Hydrogen solubility and vacancy concentration are computed as a function of temperature. We also discuss effects of the superabundant vacancies on bulk thermal and mechanical properties.

  4. Application of vanadium hydride compressors for Joule-Thomson cryocoolers

    NASA Astrophysics Data System (ADS)

    Bowman, R. C., Jr.; Freeman, B. D.; Phillips, J. R.

    The Joule-Thomson expansion of hydrogen gas offers efficient and reliable cryocoolers to produce temperatures between 10 and 50 K. A critical component to the development of these devices is the metal hydride storage bed that provides a nonmechanical method to compress hydrogen gas via the reversible absorption by appropriate metals or alloys. A thermodynamic model has been used to calculate the impact of operational parameters such as input/output pressure ratios and bed temperature on energy balance and system efficiency. Detailed comparisons are reported for a compressor which utilizes vanadium metal as the sorbent for either hydrogen or deuterium where the unusually large isotope differences between the phase diagrams and thermal properties for VH(x) and VD(x) have been considered. The sensitivity of heat input requirements to the uncertainties in primary variables are described.

  5. LaNi5 hydride cryogenic refrigerator test results

    NASA Technical Reports Server (NTRS)

    Jones, J. A.

    1983-01-01

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

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

    DOEpatents

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

    1960-03-22

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

  7. Effect of hydriding degree on the microstructure and magnetic properties of sintered NdFeB magnets

    NASA Astrophysics Data System (ADS)

    Guo, Shuai; Liu, Youhao; Chen, Bicheng; Yan, Changjiang; Chen, Renjie; Lee, Don; Yan, Aru

    2012-04-01

    The effects of hydriding degree on the microstructure and magnetic properties of sintered NdFeB magnets have been studied. The degree of crushing depends on the absorption content of hydrogen and affects the magnetic properties of final magnet. Insertion of hydrogen atoms leads to a significant increase of the unit cell volume. And the crush mechanism depends on the internal stress resulting from differences in the expansion rates of the two phases. The remanence of final magnets increases monotonously while the coercivity decreases sharply with the increasing of hydriding degree, attributed to the strip fracture features and the morphology of particles.

  8. Evolution of deep centers in GaN grown by hydride vapor phaseepitaxy

    SciTech Connect

    Fang, Z.-Q.; Look, D.C.; Jasinski, J.; Benamara, M.; Liliental-Weber, Z.; Molnar, R.J.

    2001-04-18

    Deep centers and dislocation densities in undoped n GaN, grown by hydride vapor phase epitaxy (HVPE), were characterized as a function of the layer thickness by deep level transient spectroscopy and transmission electron microscopy, respectively. As the layer thickness decreases, the variety and concentration of deep centers increase, in conjunction with the increase of dislocation density. Based on comparison with electron irradiation induced centers, some dominant centers in HVPE GaN are identified as possible point defects.

  9. Understanding atomistic phenomenon for hydrogen storage in complex metal hydrides

    NASA Astrophysics Data System (ADS)

    Chopra, Irinder Singh

    The storage of hydrogen into metals in the form of complex metal hydrides is one of the most promising methods. However, the incorporation and release of hydrogen requires very high temperatures. The discovery that the addition of Ti compounds lowers NaAlH4 decomposition barriers closer to ambient conditions, has re-ignited the field, and it is believed that surface processes are responsible for H2 dissociation and mass transport required to form the hydrogenated materials. Such surface reactions mechanisms are however difficult to study with typical spectroscopic and imaging surface science tools. Alanes lack contrast under electron microscopes and can modify the Scanning Tunneling Microscopy (STM) tips. Infrared spectroscopy would be a sensitive probe to investigate the adsorption of hydrogen providing, but has so far failed to detect chemisorbed hydrogen on Ti-doped Al surfaces due to the weak Al-H dynamic dipole moment. Thus despite extensive investigations, the fundamental mechanisms of the role of Ti and alane formation have remained elusive. In this study combining surface infrared (IR) spectroscopy and density functional theory (DFT), we provide atomistic details about the role of Ti as a catalyst for hydrogen uptake and alane formation and evolution on single crystal Al(111) and Al(100) surfaces. We are able to detect H indirectly by using CO as a probe molecule of the weak Al-H species. We demonstrate that aluminum doped with very small amounts of titanium (in a specific configuration) can activate molecular hydrogen at temperatures as low as 90K. Once dissociated, hydrogen spills over from these catalytic sites on to the Al surface and protects the surface from further reactions. We also show that, on Ti-doped Al surfaces, the diffusion dynamics are severely altered by Ti doping (Atomic hydrogen and AlH3 are trapped at the Ti sites) as indicated by a marked decrease of higher alane concentrations, which is deleterious for hydrogen storage for which mass

  10. Electrolytic hydriding of LaFe(13-x)Si(x) alloys for energy efficient magnetic cooling.

    PubMed

    Lyubina, Julia; Hannemann, Ullrich; Ryan, Mary P; Cohen, Lesley F

    2012-04-17

    An effective, low-temperature and readily available electrochemical method for tuning the operation temperature of LaFe(13-x)Si(x)-type alloys is demonstrated. Electrolytically hydrided materials have the same high level magnetic properties as in high temperature gas-phase processed materials and offer an advantage of higher hydrogen absorption rate in the ferromagnetic state.

  11. Pressure and high-Tc superconductivity in sulfur hydrides

    PubMed Central

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

    2016-01-01

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

  12. Unoccupied electronic states in cerium hydrides

    NASA Astrophysics Data System (ADS)

    Osterwalder, J.; Schlapbach, L.

    1985-05-01

    We present UV isochromat spectra of polycrystalline CeH 2.1 and CeH 2.9. The intensity at EF is small in CeH 2.1 and vanishes in CeH 2.9 as it is expected from XPS, UPS and conductivity data. In both hydrides broad features (≈2 eV FWHM) appear between 4 and 5 eV above EF. This is in qualitative agreement with bandstructure calculations.

  13. Dissipative hydride precipitates in superconducting niobium cavities

    SciTech Connect

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

    2011-10-01

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

  14. Nickel metal hydride LEO cycle testing

    NASA Technical Reports Server (NTRS)

    Lowery, Eric

    1995-01-01

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

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

    SciTech Connect

    Clark, E.A.

    1992-09-21

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

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

    SciTech Connect

    Clark, E.A.

    1992-09-21

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

  17. Storing hydrogen in the form of light alloy hydrides

    NASA Technical Reports Server (NTRS)

    Freund, E.; Gillerm, C.

    1981-01-01

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

  18. METHOD AND APPARATUS FOR MAKING URANIUM-HYDRIDE COMPACTS

    DOEpatents

    Wellborn, W.; Armstrong, J.R.

    1959-03-10

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

  19. Plasmonic hydrogen sensing with nanostructured metal hydrides.

    PubMed

    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.

  20. Electrolytic production of high purity aluminum using inert anodes

    DOEpatents

    Ray, Siba P.; Liu, Xinghua; Weirauch, Jr., Douglas A.

    2001-01-01

    A method of producing commercial purity aluminum in an electrolytic reduction cell comprising inert anodes is disclosed. The method produces aluminum having acceptable levels of Fe, Cu and Ni impurities. The inert anodes used in the process preferably comprise a cermet material comprising ceramic oxide phase portions and metal phase portions.

  1. Topotactic Solid-State Metal Hydride Reductions of Sr2MnO4.

    PubMed

    Hernden, Bradley C; Lussier, Joey A; Bieringer, Mario

    2015-05-04

    We report novel details regarding the reactivity and mechanism of the solid-state topotactic reduction of Sr2MnO4 using a series of solid-state metal hydrides. Comprehensive details describing the active reducing species are reported and comments on the reductive mechanism are provided, where it is shown that more than one electron is being donated by H(-). Commonly used solid-state hydrides LiH, NaH, and CaH2, were characterized in terms of reducing power. In addition the unexplored solid-state hydrides MgH2, SrH2, and BaH2 are evaluated as potential solid-state reductants and characterized in terms of their reductive reactivities. These 6 group I and II metal hydrides show the following trend in terms of reactivity: MgH2 < SrH2 < LiH ≈ CaH2 ≈ BaH2 < NaH. The order of the reductants are discussed in terms of metal electronegativity and bond strengths. NaH and the novel use of SrH2 allowed for targeted synthesis of reduced Sr2MnO(4-x) (0 ≤ x ≤ 0.37) phases. The enhanced control during synthesis demonstrated by this soft chemistry approach has allowed for a more comprehensive and systematic evaluation of Sr2MnO(4-x) phases than previously reported phases prepared by high temperature methods. Sr2MnO3.63(1) has for the first time been shown to be monoclinic by powder X-ray diffraction and the oxidative monoclinic to tetragonal transition occurs at 450 °C.

  2. Corrosion of aluminum and aluminum alloys

    SciTech Connect

    Davis, J.R.

    1999-01-01

    This new handbook presents comprehensive coverage of the corrosion behavior of aluminum and aluminum alloys, with emphasis on practical information about how to select and process these materials in order to prevent corrosion attack. Described are the characteristics of these materials and the influences of composition, mechanical working, heat treatment, joining methods, microstructure, and environmental variables on their corrosion.

  3. Cluster model of aluminum dense vapor plasma

    NASA Astrophysics Data System (ADS)

    Khomkin, A. L.; Shumikhin, A. S.

    2009-08-01

    The chemical model of aluminum vapor plasma, that take into account the formation of neutral and charged clusters, is suggested. Caloric and thermal equations of state and composition of plasma were received using the available information about properties of metal clusters. It is shown, that aluminum vapors are clusterized with decrease of temperature and with increase of density. Pressure dependence on internal energy is calculated and comparison with experimental data is made. The important role of aluminum clusters, especially in an initial phase of the metals vapor heating, is demonstrated. It is shown, that the region of plasma clusterization in gaseous phase agree with known literature data for binodal of vapor-liquid transition from gaseous region. Suggested cluster model may be used to forecast the location of metal vapors binodal. The conductivity of aluminum vapor plasma was calculated. The satisfactory agreement with available experimental data is received.

  4. ALUMINUM-CONTAINING POLYMERS

    DTIC Science & Technology

    ALUMINUM COMPOUNDS, *ORGANOMETALLIC COMPOUNDS, *POLYMERIZATION, *POLYMERS, ACRYLIC RESINS, ALKYL RADICALS, CARBOXYLIC ACIDS, COPOLYMERIZATION, LIGHT TRANSMISSION, STABILITY, STYRENES, TRANSPARENT PANELS.

  5. The Effect of Anodic Oxide Films on the Nickel-Aluminum Reaction in Aluminum Braze Sheet

    NASA Astrophysics Data System (ADS)

    Tadgell, Colin A.; Wells, Mary A.; Corbin, Stephen F.; Colley, Leo; Cheadle, Brian; Winkler, Sooky

    2017-01-01

    The influence of an anodic oxide surface film on the nickel-aluminum reaction at the surface of aluminum brazing sheet has been investigated. Samples were anodized in a barrier-type solution and subsequently sputtered with nickel. Differential scanning calorimetry (DSC) and metallography were used as the main investigative techniques. The thickness of the anodic film was found to control the reaction between the aluminum substrate and nickel coating. Solid-state formation of nickel-aluminum intermetallic phases occurred readily when a relatively thin oxide film (13 to 25 nm) was present, whereas intermetallic formation was suppressed in the presence of thicker oxides ( 60 nm). At an intermediate oxide film thickness of 35 nm, the Al3Ni phase formed shortly after the initiation of melting in the aluminum substrate. Analysis of DSC traces showed that formation of nickel-aluminum intermetallic phases changed the melting characteristics of the aluminum substrate, and that the extent of this change can be used as an indirect measure of the amount of nickel incorporated into the intermetallic phases.

  6. The Effect of Anodic Oxide Films on the Nickel-Aluminum Reaction in Aluminum Braze Sheet

    NASA Astrophysics Data System (ADS)

    Tadgell, Colin A.; Wells, Mary A.; Corbin, Stephen F.; Colley, Leo; Cheadle, Brian; Winkler, Sooky

    2017-03-01

    The influence of an anodic oxide surface film on the nickel-aluminum reaction at the surface of aluminum brazing sheet has been investigated. Samples were anodized in a barrier-type solution and subsequently sputtered with nickel. Differential scanning calorimetry (DSC) and metallography were used as the main investigative techniques. The thickness of the anodic film was found to control the reaction between the aluminum substrate and nickel coating. Solid-state formation of nickel-aluminum intermetallic phases occurred readily when a relatively thin oxide film (13 to 25 nm) was present, whereas intermetallic formation was suppressed in the presence of thicker oxides ( 60 nm). At an intermediate oxide film thickness of 35 nm, the Al3Ni phase formed shortly after the initiation of melting in the aluminum substrate. Analysis of DSC traces showed that formation of nickel-aluminum intermetallic phases changed the melting characteristics of the aluminum substrate, and that the extent of this change can be used as an indirect measure of the amount of nickel incorporated into the intermetallic phases.

  7. Aluminum and Young Artists.

    ERIC Educational Resources Information Center

    Anderson, Thomas

    1980-01-01

    The author suggests a variety of ways in which aluminum and aluminum foil can be used in elementary and junior high art classes: relief drawing and rubbing; printing; repousse; sculpture; mobiles; foil sculpture; and three dimensional design. Sources of aluminum supplies are suggested. (SJL)

  8. The epimerase activity of anthocyanidin reductase from Vitis vinifera and its regiospecific hydride transfers.

    PubMed

    Gargouri, Mahmoud; Chaudière, Jean; Manigand, Claude; Maugé, Chloé; Bathany, Katell; Schmitter, Jean-Marie; Gallois, Bernard

    2010-01-01

    Anthocyanidin reductase (ANR) from Vitis vinifera catalyzes an NADPH-dependent double reduction of anthocyanidins producing a mixture of (2S,3R)- and (2S,3S)-flavan-3-ols. At pH 7.5 and 30 degrees C, the first hydride transfer to anthocyanidin is irreversible, and no intermediate is released during catalysis. ANR reverse activity was assessed in the presence of excess NADP(+). Analysis of products by reverse phase and chiral phase HPLC demonstrates that ANR acts as a flavan-3-ol C(3)-epimerase under such conditions, but this is only observed with 2R-flavan-3-ols, not with 2S-flavan-3-ols produced by the enzyme in the forward reaction. In the presence of deuterated coenzyme 4S-NADPD, ANR transforms anthocyanidins into dideuterated flavan-3-ols. The regiospecificity of deuterium incorporation into catechin and afzelechin - derived from cyanidin and pelargonidin, respectively - was analyzed by liquid chromatography coupled with electro- spray ionization-tandem mass spectrometry (LC/ESI-MS/MS), and it was found that deuterium was always incorporated at C(2) and C(4). We conclude that C(3)-epimerization should be achieved by tautomerization between the two hydride transfers and that this produces a quinone methide intermediate which serves as C(4) target of the second hydride transfer, thereby avoiding any stereospecific modification of carbon 3. The inversion of C(2) stereochemistry required for 'reverse epimerization' suggests that the 2S configuration induces an irreversible product dissociation.

  9. Hydrogen storage systems based on magnesium hydride: from laboratory tests to fuel cell integration

    NASA Astrophysics Data System (ADS)

    de Rango, P.; Marty, P.; Fruchart, D.

    2016-02-01

    The paper reviews the state of the art of hydrogen storage systems based on magnesium hydride, emphasizing the role of thermal management, whose effectiveness depends on the effective thermal conductivity of the hydride, but also depends of other limiting factors such as wall contact resistance and convective exchanges with the heat transfer fluid. For daily cycles, the use of phase change material to store the heat of reaction appears to be the most effective solution. The integration with fuel cells (1 kWe proton exchange membrane fuel cell and solid oxide fuel cell) highlights the dynamic behaviour of these systems, which is related to the thermodynamic properties of MgH2. This allows for "self-adaptive" systems that do not require control of the hydrogen flow rate at the inlet of the fuel cell.

  10. Aluminum reference electrode

    DOEpatents

    Sadoway, D.R.

    1988-08-16

    A stable reference electrode is described for use in monitoring and controlling the process of electrolytic reduction of a metal. In the case of Hall cell reduction of aluminum, the reference electrode comprises a pool of molten aluminum and a solution of molten cryolite, Na[sub 3]AlF[sub 6], wherein the electrical connection to the molten aluminum does not contact the highly corrosive molten salt solution. This is accomplished by altering the density of either the aluminum (decreasing the density) or the electrolyte (increasing the density) so that the aluminum floats on top of the molten salt solution. 1 fig.

  11. Aluminum reference electrode

    DOEpatents

    Sadoway, Donald R.

    1988-01-01

    A stable reference electrode for use in monitoring and controlling the process of electrolytic reduction of a metal. In the case of Hall cell reduction of aluminum, the reference electrode comprises a pool of molten aluminum and a solution of molten cryolite, Na.sub.3 AlF.sub.6, wherein the electrical connection to the molten aluminum does not contact the highly corrosive molten salt solution. This is accomplished by altering the density of either the aluminum (decreasing the density) or the electrolyte (increasing the density) so that the aluminum floats on top of the molten salt solution.

  12. Metal Hydrides for High-Temperature Power Generation

    DOE PAGES

    Ronnebro, Ewa; Whyatt, Greg A.; Powell, Michael R.; ...

    2015-08-10

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

  13. Metal-hydride energy-technological processing of hydrogen

    NASA Astrophysics Data System (ADS)

    Solovei, V. V.

    1983-03-01

    The external and internal irreversibility of the thermochemical hydrogen compression cycle is analyzed in relation to the efficiency of heat utilization in a metal-hydride energy system. The properties of the working fluid and the design of the metal-hydride elements are shown to have a considerable effect on the thermodynamic performance of a heat-utilizing installation for hydrogen processing.

  14. Hydrogen storage in the form of metal hydrides

    NASA Technical Reports Server (NTRS)

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

    1984-01-01

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

  15. Method of making crack-free zirconium hydride

    DOEpatents

    Sullivan, Richard W.

    1980-01-01

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

  16. Metal Hydrides for High-Temperature Power Generation

    SciTech Connect

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

    2015-08-10

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

  17. High energy density battery based on complex hydrides

    DOEpatents

    Zidan, Ragaiy

    2016-04-26

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

  18. The low current domain of the aluminum/sulfur battery

    SciTech Connect

    Licht, S.; Hwang, J.; Light, T.S.; Dillon, R.

    1997-03-01

    A variety of factors including solution-phase modification, aluminum composition, temperature, and anolyte volume, modify anodic behavior in the approach to the low current density domain of the aluminum/sulfur battery. A relatively low level [0.4% Hg(NO{sub 3}){sub 2} by weight in the anolyte] of mercury provides an amalgam film on the aluminum anode which minimizes the parasitic chemical consumption of aluminum anode which aluminum, providing anodic faradaic efficiencies in excess of 80%. Anodic overpotential losses are high for aluminum immersed in mercury-containing electrolytes. However, at lower current densities, their absolute magnitude is several hundred millivolts or smaller and does not substantially impair the cell potential. Aluminum/sulfur battery discharge times up to several hundred hours are demonstrated for 0.2 mA/cm{sup 2} current density cells.

  19. Synthesis of square-planar aluminum(III) complexes.

    PubMed

    Thompson, Emily J; Myers, Thomas W; Berben, Louise A

    2014-12-15

    The synthesis of two four-coordinate and square planar (SP) complexes of aluminum(III) is presented. Reaction of a phenyl-substituted bis(imino)pyridine ligand that is reduced by two electrons, Na2((Ph)I2P(2-)), with AlCl3 afforded five-coordinate [((Ph)I2P(2-))Al(THF)Cl] (1). Square-planar [((Ph)I2P(2-))AlCl] (2) was obtained by performing the same reaction in diethyl ether followed by lyphilization of 2 from benzene. The four-coordinate geometry index for 2, τ4, is 0.22, where 0 would be a perfectly square-planar molecule. The analogous aluminum hydride complex, [((Ph)I2P(2-))AlH] (3), is also square-planar, and was characterized crystallographically and has τ4=0.13. Both 2 and 3 are Lewis acidic and bind 2,6-lutidine.

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

    NASA Astrophysics Data System (ADS)

    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.

  1. Production of anhydrous aluminum chloride composition and process for electrolysis thereof

    DOEpatents

    Vandegrift, George F.; Krumpelt, Michael; Horwitz, E. Philip

    1983-01-01

    A process for producing an anhydrous aluminum chloride composition from a water-based aluminous material such as a slurry of aluminum hydroxide in a multistage extraction process in which the aluminum ion is first extracted into an organic liquid containing an acidic extractant and then extracted from the organic phase into an alkali metal chloride or chlorides to form a melt containing a mixture of chlorides of alkali metal and aluminum. In the process, the organic liquid may be recycled. In addition, the process advantageously includes an electrolysis cell for producing metallic aluminum and the alkali metal chloride or chlorides may be recycled for extraction of the aluminum from the organic phase.

  2. SYNTHESIS OF METAL HYDRIDES BY MECHANICAL ALLOYING IN AN ATTRITOR MILL: FY06 STATUS REPORT

    SciTech Connect

    Fox, K

    2006-11-30

    Hydridable metal alloys are used at the Savannah River Site to process tritium. The goal of this work was to develop a mechanical alloying process as a low-cost option to produce these alloys on-site. High-speed milling at elevated temperatures has the potential to significantly reduce the time and cost of the mechanical alloying process. It was demonstrated that elemental metal powders can be alloyed in an attritor mill under argon. In order to form LaNi{sub 4.25}Al{sub 0.75} from elemental metals it was found that lanthanum and nickel must be alloyed prior to adding aluminum. It was also demonstrated that metal powders could be alloyed in the high-speed attritor with the temperature in the mill equilibrating at {approx}220 C. Optimization of the process parameters will require additional testing.

  3. NMR study of hydrogen diffusion in zirconium hydride

    SciTech Connect

    Korn, C.; Goren, S.D.

    1986-01-01

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

  4. NMR study of hydrogen diffusion in zirconium hydride

    NASA Astrophysics Data System (ADS)

    Korn, C.; Goren, S. D.

    1986-01-01

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

  5. A novel plating process for microencapsulating metal hydrides

    SciTech Connect

    Law, H.H.; Vyas, B.; Zahurak, S.M.; Kammlott, G.W.

    1996-08-01

    One approach to increasing the lifetime of the metal hydride electrode has been the use of conventional electroless plating to produce a coating of copper or nickel on the surface of the metal hydride powders. In this paper, a novel method for microencapsulating the active electrode powders is presented. This new plating technique takes advantage of the reducing power of hydrogen already stored inside the metal hydride to plate a variety of metals onto metal hydride materials. This method greatly simplifies electroless plating for these powders, eliminating the need for stabilizers and additives typically required for conventional electroless plating solutions. Metals that can be electrolessly plated with stored hydrogen have been identified based on thermodynamic considerations. Experimentally, micrometers thick coatings of copper, silver, and nickel have been plated on several metal hydrides.

  6. Porous metal hydride composite and preparation and uses thereof

    DOEpatents

    Steyert, William A.; Olsen, Clayton E.

    1982-01-01

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

  7. Porous metal hydride composite and preparation and uses thereof

    DOEpatents

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

    1980-03-12

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

  8. Metal hydrides for concentrating solar thermal power energy storage

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

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

  9. Recent advances in metal hydrides for clean energy applications

    SciTech Connect

    Ronnebro, Ewa; Majzoub, Eric H.

    2013-06-01

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

  10. Helium trapping at erbium oxide precipitates in erbium hydride

    SciTech Connect

    Foiles, Stephen M.; Battaile, Corbett Chandler

    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.

  11. Highly Concentrated Palladium Hydrides/Deuterides; Theory

    SciTech Connect

    Papaconstantopoulos, Dimitrios

    2013-11-26

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

  12. Lithium hydride - A space age shielding material

    NASA Technical Reports Server (NTRS)

    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.

  13. Metal hydride fuel storage and method thereof

    DOEpatents

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

    2010-08-10

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

  14. Development of nickel-metal hydride cell

    NASA Technical Reports Server (NTRS)

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

    1993-01-01

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

  15. Aluminum: Recycling of Aluminum Dross/Saltcake

    SciTech Connect

    Blazek, S.

    1999-01-29

    As this NICE3 publication details, the objective of this project is to commercialize the process technology to eliminate all landfill waste associated with black dross and saltcake generated from aluminum recycling in the United States.

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

    SciTech Connect

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

    2013-07-15

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

  17. Complex Hydride Compounds with Enhanced Hydrogen Storage Capacity

    SciTech Connect

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

    2008-02-18

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

  18. The Planck Sorption Cooler: Using Metal Hydrides to Produce 20 K

    NASA Technical Reports Server (NTRS)

    Pearson, David P.; Bowman, R.; Prina, M.; Wilson, P.

    2006-01-01

    The Jet Propulsion Laboratory has built and delivered two continuous closed cycle hydrogen Joule-Thomson (JT) cryocoolers for the ESA Planck mission, which will measure the anisotropy in the cosmic microwave background. The metal hydride compressor consists of six sorbent beds containing LaNi4.78Sn0.22 alloy and a low pressure storage bed of the same material. Each sorbent bed contains a separate gas-gap heat switch that couples or isolates the bed with radiators during the compressor operating cycle. ZrNiHx hydride is used in this heat switch. The Planck compressor produces hydrogen gas at a pressure of 48 Bar by heating the hydride to approx.450 K. This gas passes through a cryogenic cold end consisting of a tube-in-tube heat exchanger, three pre-cooling stages to bring the gas to nominally 52 K, a JT value to expand the gas into the two-phase regime at approx.20 K, and two liquid - vapor heat exchangers that must remove 190 and 646 mW of heat respectively.

  19. Proton and hydride transfers in solution: hybrid QMmm/MM free energy perturbation study

    SciTech Connect

    Ho, L. Lawrence |; Bash, P.A.; Kerell, A.D., Jr

    1996-03-01

    A hybrid quantum and molecular mechanical (QM/MM) free energy perturbation (FEP) method is implemented in the context of molecular dynamics (MD). The semiempirical quantum mechanical (QM) Hamiltonian (Austin Model 1) represents solute molecules, and the molecular mechanical (MM) CHARMM force field describes the water solvent. The QM/MM FEP method is used to calculate the free energy changes in aqueous solution for (1) a proton transfer from methanol to imidazole and (2) a hydride transfer from methoxide to nicotinamide. The QM/MM interaction energies between the solute and solvent arc calibrated to emulate the solute-solvent interaction energies determined at the Hartee-Fock 6-31G(d) level of ab initio theory. The free energy changes for the proton and hydride transfers are calculated to be 15.1 and {minus}6.3 kcal/mol, respectively, which compare favorably with the corresponding experimental values of 12.9 and {minus}7.4 kcal/mol. An estimate of the reliability of the calculations is obtained through the computation of the forward (15.1 and {minus}6.3 kcal/mol) and backward ({minus}14.1 and 9.1 kcal/mol)free energy changes. The reasonable correspondence between these two independent calculations suggests that adequate phase space sampling is obtained along the reaction pathways chosen to transform the proton and hydride systems between their respective reactant and product states.

  20. A generic statistical model of hydride formation in a random alloy

    NASA Astrophysics Data System (ADS)

    Zhdanov, Vladimir P.

    2016-09-01

    Hydride formation in metals (e.g. in Pd), accompanied by a hysteresis loop in the absorption isotherms, is one of the generic examples of first-order phase transitions (FOPTs). During the last decade, the corresponding experimental studies, driven by applications related to hydrogen storage, have shifted towards metal particles sized from a few nanometers to micrometers in general and to alloyed particles of these sizes in particular. The understanding of hydride formation in alloys is, however, still far from complete. Herein, a statistical model of hydride formation in a random alloy is presented. The model is focused on the situation when this process is favorable in metal 1 (e.g. Pd) and shows what may happen when atoms of metal 2 make it less favorable due to decrease of the hydrogen binding energy and/or attractive hydrogen-hydrogen (H-H) interaction. Random distribution of metal atoms is taken explicitly into account. The attractive H-H interaction, including its dependence on fraction of metal 2 in the alloy, is described at the mean-field level. With increasing fraction of the latter metal, the critical temperature is found to decrease linearly or nonlinearly depending on the values of the model parameters. If the decrease of the hydrogen binding energy with increasing number of nearest-neighbor (nn) atoms of metal 2 is appreciable, the model predicts up to three hysteresis loops.

  1. Pressure-stabilized superconductive yttrium hydrides

    NASA Astrophysics Data System (ADS)

    Li, Yinwei; Hao, Jian; Liu, Hanyu; Tse, John S.; Wang, Yanchao; Ma, Yanming

    2015-05-01

    The search for high-temperature superconductors has been focused on compounds containing a large fraction of hydrogen, such as SiH4(H2)2, CaH6 and KH6. Through a systematic investigation of yttrium hydrides at different hydrogen contents using an structure prediction method based on the particle swarm optimization algorithm, we have predicted two new yttrium hydrides (YH4 andYH6), which are stable above 110 GPa. Three types of hydrogen species with increased H contents were found, monatomic H in YH3, monatomic H+molecular “H2” in YH4 and hexagonal “H6” unit in YH6. Interestingly, H atoms in YH6 form sodalite-like cage sublattice with centered Y atom. Electron-phonon calculations revealed the superconductive potential of YH4 and YH6 with estimated transition temperatures (Tc) of 84-95 K and 251-264 K at 120 GPa, respectively. These values are higher than the predicted maximal Tc of 40 K in YH3.

  2. Pressure-stabilized superconductive yttrium hydrides.

    PubMed

    Li, Yinwei; Hao, Jian; Liu, Hanyu; Tse, John S; Wang, Yanchao; Ma, Yanming

    2015-05-05

    The search for high-temperature superconductors has been focused on compounds containing a large fraction of hydrogen, such as SiH4(H2)2, CaH6 and KH6. Through a systematic investigation of yttrium hydrides at different hydrogen contents using an structure prediction method based on the particle swarm optimization algorithm, we have predicted two new yttrium hydrides (YH4 andYH6), which are stable above 110 GPa. Three types of hydrogen species with increased H contents were found, monatomic H in YH3, monatomic H+molecular "H2" in YH4 and hexagonal "H6" unit in YH6. Interestingly, H atoms in YH6 form sodalite-like cage sublattice with centered Y atom. Electron-phonon calculations revealed the superconductive potential of YH4 and YH6 with estimated transition temperatures (Tc) of 84-95 K and 251-264 K at 120 GPa, respectively. These values are higher than the predicted maximal Tc of 40 K in YH3.

  3. Pressure-stabilized superconductive yttrium hydrides

    PubMed Central

    Li, Yinwei; Hao, Jian; Liu, Hanyu; Tse, John S.; Wang, Yanchao; Ma, Yanming

    2015-01-01

    The search for high-temperature superconductors has been focused on compounds containing a large fraction of hydrogen, such as SiH4(H2)2, CaH6 and KH6. Through a systematic investigation of yttrium hydrides at different hydrogen contents using an structure prediction method based on the particle swarm optimization algorithm, we have predicted two new yttrium hydrides (YH4 andYH6), which are stable above 110 GPa. Three types of hydrogen species with increased H contents were found, monatomic H in YH3, monatomic H+molecular “H2” in YH4 and hexagonal “H6” unit in YH6. Interestingly, H atoms in YH6 form sodalite-like cage sublattice with centered Y atom. Electron-phonon calculations revealed the superconductive potential of YH4 and YH6 with estimated transition temperatures (Tc) of 84–95 K and 251–264 K at 120 GPa, respectively. These values are higher than the predicted maximal Tc of 40 K in YH3. PMID:25942452

  4. Metal hydrides for lithium-ion batteries.

    PubMed

    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.

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

    PubMed

    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.

  6. The development of metal hydrides using as concentrating solar thermal storage materials

    NASA Astrophysics Data System (ADS)

    Qu, Xuanhui; Li, Yang; Li, Ping; Wan, Qi; Zhai, Fuqiang

    2015-12-01

    Metal hydrides high temperature thermal heat storage technique has great promising future prospects in solar power generation, industrial waste heat utilization and peak load regulating of power system. This article introduces basic principle of metal hydrides for thermal storage, and summarizes developments in advanced metal hydrides high-temperature thermal storage materials, numerical simulation and thermodynamic calculation in thermal storage systems, and metal hydrides thermal storage prototypes. Finally, the future metal hydrides high temperature thermal heat storage technique is been looked ahead.

  7. Synthesis and hydride transfer reactions of cobalt and nickel hydride complexes to BX3 compounds.

    PubMed

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

    2011-12-05

    Hydrides of numerous transition metal complexes can be generated by the heterolytic cleavage of H(2) gas such that they offer alternatives to using main group hydrides in the regeneration of ammonia borane, a compound that has been intensely studied for hydrogen storage applications. Previously, we reported that HRh(dmpe)(2) (dmpe = 1,2-bis(dimethylphosphinoethane)) was capable of reducing a variety of BX(3) compounds having a hydride affinity (HA) greater than or equal to the HA of BEt(3). This study examines the reactivity of less expensive cobalt and nickel hydride complexes, HCo(dmpe)(2) and [HNi(dmpe)(2)](+), to form B-H bonds. The hydride donor abilities (ΔG(H(-))°) of HCo(dmpe)(2) and [HNi(dmpe)(2)](+) were positioned on a previously established scale in acetonitrile that is cross-referenced with calculated HAs of BX(3) compounds. The collective data guided our selection of BX(3) compounds to investigate and aided our analysis of factors that determine favorability of hydride transfer. HCo(dmpe)(2) was observed to transfer H(-) to BX(3) compounds with X = H, OC(6)F(5), and SPh. The reaction with B(SPh)(3) is accompanied by the formation of dmpe-(BH(3))(2) and dmpe-(BH(2)(SPh))(2) products that follow from a reduction of multiple B-SPh bonds and a loss of dmpe ligands from cobalt. Reactions between HCo(dmpe)(2) and B(SPh)(3) in the presence of triethylamine result in the formation of Et(3)N-BH(2)SPh and Et(3)N-BH(3) with no loss of a dmpe ligand. Reactions of the cationic complex [HNi(dmpe)(2)](+) with B(SPh)(3) under analogous conditions give Et(3)N-BH(2)SPh as the final product along with the nickel-thiolate complex [Ni(dmpe)(2)(SPh)](+). The synthesis and characterization of HCo(dedpe)(2) (dedpe = Et(2)PCH(2)CH(2)PPh(2)) from H(2) and a base is also discussed, including the formation of an uncommon trans dihydride species, trans-[(H)(2)Co(dedpe)(2)][BF(4)].

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

    SciTech Connect

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

    2011-10-31

    Hydrides of numerous transition metal complexes can be generated by the heterolytic cleavage of H₂ gas such that they offer alternatives to using main group hydrides in the regeneration of ammonia borane, a compound that has been intensely studied for hydrogen storage applications. Previously, we reported that HRh(dmpe)₂ (dmpe = 1,2-bis(dimethylphosphinoethane)) was capable of reducing a variety of BX₃ compounds having a hydride affinity (HA) greater than or equal to the HA of BEt₃. This study examines the reactivity of less expensive cobalt and nickel hydride complexes, HCo(dmpe)₂ and [HNi(dmpe)₂]+, to form B–H bonds. The hydride donor abilities (ΔGH °) of HCo(dmpe)₂ and [HNi(dmpe)₂]+ were positioned on a previously established scale in acetonitrile that is cross-referenced with calculated HAs of BX₃ compounds. The collective data guided our selection of BX₃ compounds to investigate and aided our analysis of factors that determine favorability of hydride transfer. HCo(dmpe)₂ was observed to transfer H to BX₃ compounds with X = H, OC₆F₅, and SPh. The reaction with B(SPh)₃ is accompanied by the formation of dmpe-(BH₃)₂ and dmpe-(BH₂(SPh))₂ products that follow from a reduction of multiple B–SPh bonds and a loss of dmpe ligands from cobalt. Reactions between HCo(dmpe)₂ and B(SPh)₃ in the presence of triethylamine result in the formation of Et₃N–BH₂SPh and Et₃N–BH₃ with no loss of a dmpe ligand. Reactions of the cationic complex [HNi(dmpe)₂]+ with B(SPh)₃ under analogous conditions give Et₃N–BH₂SPh as the final product along with the nickel–thiolate complex [Ni(dmpe)₂(SPh)]+. The synthesis and characterization of HCo(dedpe)₂ (dedpe = Et₂PCH₂CH₂PPh₂) from H₂ and a base is also discussed, including the formation of an uncommon trans dihydride species, trans-[(H)₂Co(dedpe)₂][BF₄].

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

    SciTech Connect

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

    2011-12-05

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

  10. Aspects of aluminum toxicity

    SciTech Connect

    Hewitt, C.D.; Savory, J.; Wills, M.R. )

    1990-06-01

    Aluminum is the most abundant metal in the earth's crust. The widespread occurrence of aluminum, both in the environment and in foodstuffs, makes it virtually impossible for man to avoid exposure to this metal ion. Attention was first drawn to the potential role of aluminum as a toxic metal over 50 years ago, but was dismissed as a toxic agent as recently as 15 years ago. The accumulation of aluminum, in some patients with chronic renal failure, is associated with the development of toxic phenomena; dialysis encephalopathy, osteomalacic dialysis osteodystrophy, and an anemia. Aluminum accumulation also occurs in patients who are not on dialysis, predominantly infants and children with immature or impaired renal function. Aluminum has also been implicated as a toxic agent in the etiology of Alzheimer's disease, Guamiam amyotrophic lateral sclerosis, and parkinsonism-dementia. 119 references.

  11. Modeling dissolution in aluminum alloys

    NASA Astrophysics Data System (ADS)

    Durbin, Tracie Lee

    2005-07-01

    Aluminum and its alloys are used in many aspects of modern life, from soda cans and household foil to the automobiles and aircraft in which we travel. Aluminum alloy systems are characterized by good workability that enables these alloys to be economically rolled, extruded, or forged into useful shapes. Mechanical properties such as strength are altered significantly with cold working, annealing, precipitation-hardening, and/or heat-treatments. Heat-treatable aluminum alloys contain one or more soluble constituents such as copper, lithium, magnesium, silicon and zinc that individually, or with other elements, can form phases that strengthen the alloy. Microstructure development is highly dependent on all of the processing steps the alloy experiences. Ultimately, the macroscopic properties of the alloy depend strongly on the microstructure. Therefore, a quantitative understanding of the microstructural changes that occur during thermal and mechanical processing is fundamental to predicting alloy properties. In particular, the microstructure becomes more homogeneous and secondary phases are dissolved during thermal treatments. Robust physical models for the kinetics of particle dissolution are necessary to predict the most efficient thermal treatment. A general dissolution model for multi-component alloys has been developed using the front-tracking method to study the dissolution of precipitates in an aluminum alloy matrix. This technique is applicable to any alloy system, provided thermodynamic and diffusion data are available. Treatment of the precipitate interface is explored using two techniques: the immersed-boundary method and a new technique, termed here the "sharp-interface" method. The sharp-interface technique is based on a variation of the ghost fluid method and eliminates the need for corrective source terms in the characteristic equations. In addition, the sharp-interface method is shown to predict the dissolution behavior of precipitates in aluminum

  12. Develop improved metal hydride technology for the storage of hydrogen. Final technical report

    SciTech Connect

    Sapru, K.

    1998-12-04

    The overall objective was to develop commercially viable metal hydrides capable of reversibly storing at least 3 wt.% hydrogen for use with PEM fuel cells and hydrogen fueled internal combustion engine (HICE) applications. Such alloys are expected to result in system capacities of greater than 2 wt.%, making metal hydride storage systems (MHSS`s) a practical means of supplying hydrogen for many consumer applications. ECD`s (Energy Conversion Devices, Inc.) past work on sputtered thin films of transition metal-based alloys led to the commercialization of it`s nickel/metal hydride batteries, and similar work on thin film Mg-based alloys demonstrated potential to achieve very high gravimetric and volumetric energy densities approaching 2,500 Wh/Kg and 2,500 Wh/M{sup 3} respectively. Under this 2-year cost shared project with the DOE, the authors have successfully demonstrated the feasibility of scaling up the Mg-based hydrides from thin film to bulk production without substantial loss of storage capacity. ECD made progress in alloy development by means of compositional and process modification. Processes used include Mechanical Alloying, Melt spinning and novel Gas Phase Condensation. It was showed that the same composition when prepared by melt-spinning resulted in a more homogeneous material having a higher PCT plateau pressure as compared to mechanical alloying. It was also shown that mechanically alloyed Mg-Al-Zn results in much higher plateau pressures, which is an important step towards reducing the desorption temperature. While significant progress has been made during the past two years in alloy development and understanding the relationship between composition, structure, morphology, and processing parameters, additional R and D needs to be performed to achieve the goals of this work.

  13. Alloys for hydrogen storage in nickel/hydrogen and nickel/metal hydride batteries

    NASA Technical Reports Server (NTRS)

    Anani, Anaba; Visintin, Arnaldo; Petrov, Konstantin; Srinivasan, Supramaniam; Reilly, James J.; Johnson, John R.; Schwarz, Ricardo B.; Desch, Paul B.

    1993-01-01

    Since 1990, there has been an ongoing collaboration among the authors in the three laboratories to (1) prepare alloys of the AB(sub 5) and AB(sub 2) types, using arc-melting/annealing and mechanical alloying/annealing techniques; (2) examine their physico-chemical characteristics (morphology, composition); (3) determine the hydrogen absorption/desorption behavior (pressure-composition isotherms as a function of temperature); and (4) evaluate their performance characteristics as hydride electrodes (charge/discharge, capacity retention, cycle life, high rate capability). The work carried out on representative AB(sub 5) and AB(sub 2) type modified alloys (by partial substitution or with small additives of other elements) is presented. The purpose of the modification was to optimize the thermodynamics and kinetics of the hydriding/dehydriding reactions and enhance the stabilities of the alloys for the desired battery applications. The results of our collaboration, to date, demonstrate that (1) alloys prepared by arc melting/annealing and mechanical alloying/annealing techniques exhibit similar morphology, composition and hydriding/dehydriding characteristics; (2) alloys with the appropriate small amounts of substituent or additive elements: (1) retain the single phase structure, (2) improve the hydriding/dehydriding reactions for the battery applications, and (3) enhance the stability in the battery environment; and (3) the AB(sub 2) type alloys exhibit higher energy densities than the AB(sub 5) type alloys but the state-of-the-art, commercialized batteries are predominantly manufactured using Ab(sub 5) type alloys.

  14. A study of environmental characterization of conventional and advanced aluminum alloys for selection and design. Phase 2: The breaking load test method

    NASA Technical Reports Server (NTRS)

    Sprowls, D. O.; Bucci, R. J.; Ponchel, B. M.; Brazill, R. L.; Bretz, P. E.

    1984-01-01

    A technique is demonstrated for accelerated stress corrosion testing of high strength aluminum alloys. The method offers better precision and shorter exposure times than traditional pass fail procedures. The approach uses data from tension tests performed on replicate groups of smooth specimens after various lengths of exposure to static stress. The breaking strength measures degradation in the test specimen load carrying ability due to the environmental attack. Analysis of breaking load data by extreme value statistics enables the calculation of survival probabilities and a statistically defined threshold stress applicable to the specific test conditions. A fracture mechanics model is given which quantifies depth of attack in the stress corroded specimen by an effective flaw size calculated from the breaking stress and the material strength and fracture toughness properties. Comparisons are made with experimental results from three tempers of 7075 alloy plate tested by the breaking load method and by traditional tests of statistically loaded smooth tension bars and conventional precracked specimens.

  15. Hot temperatures line lists for metal hydrides

    NASA Astrophysics Data System (ADS)

    Gorman, M.; Lodi, L.; Leyland, P. pC; Hill, C.; Yurchenko, S. N.; Tennyson, J.

    2013-09-01

    The ExoMol project is an ERC funded project set up with the purpose of calculating high quality theoretical molecular line list data to facilitate the emerging field of exoplanet and cool star atmospheric haracterisation [1]. Metal hydrides are important building blocks of interstellar physical chemistry. For molecular identification and characterisation in astrophysical sources, one requires accurate and complete spectroscopic data including transitional frequencies and intensities in the form of a line list. The ab initio methods offer the best opportunity for detailed theoretical studies of free diatomic metal hydrides and other simple hydride molecules. In this contribution we present progress on theoretical line lists for AlH, CrH, MgH, NiH, NaH and TiH obtained from first principles, applicable for a large range of temperatures up to 3500 K. Among the hydrides, AlH is of special interest because of a relatively high cosmic abundance of aluminium. The presence of AlH has been detected in the spectra of M-type and S-type stars as well as in sunspots (See [2] and references therein). CrH is a molecule of astrophysical interest; under the classification scheme developed by Kirkpatrick et al [3], CrH is of importance in distinguishing L type brown dwarfs. It has been proposed that theoretical line-lists of CrH and CrD could be used to facilitate a 'Deuterium test' for use in distinguishing planets, brown dwarfs and stars [5] and also it has been speculated that CrH exists in sunspots [4] but a higherquality hot-temperature line-list is needed to confirm this finding. The presence of MgH in stellar spectra is well documented through observation of the A2 ! X 2+ and B0 2+ ! X 2+ transitions. Different spectral features of MgH have been used as an indicator for the magnesium isotope abundances in the atmospheres of different stars from giants to dwarfs including the Sun, to measure the temperature of stars, surface gravity, stars' metal abundance, gravitational, as

  16. Fine Grain Aluminum Superplasticity

    DTIC Science & Technology

    1980-02-01

    time at elevated temperature for 7475 aluminum alloy 5 2 Optical micrographs of 7075 aluminum alloy after exposure to 5160C (960oF) for times...applied to Al-Zn-Mg-Cu ( 7075 Al) alloy. Subsequent developments by Waldman et al. (refs. 8-11) resulted in the demonstration that 7000 series alloys...a number of aluminum alloys. With such a fine grain structure, high temperature deformation character- istics approaching superplastic behavior

  17. BONDING ALUMINUM METALS

    DOEpatents

    Noland, R.A.; Walker, D.E.

    1961-06-13

    A process is given for bonding aluminum to aluminum. Silicon powder is applied to at least one of the two surfaces of the two elements to be bonded, the two elements are assembled and rubbed against each other at room temperature whereby any oxide film is ruptured by the silicon crystals in the interface; thereafter heat and pressure are applied whereby an aluminum-silicon alloy is formed, squeezed out from the interface together with any oxide film, and the elements are bonded.

  18. Aluminum powder metallurgy processing

    SciTech Connect

    Flumerfelt, J.F.

    1999-02-12

    The objective of this dissertation is to explore the hypothesis that there is a strong linkage between gas atomization processing conditions, as-atomized aluminum powder characteristics, and the consolidation methodology required to make components from aluminum powder. The hypothesis was tested with pure aluminum powders produced by commercial air atomization, commercial inert gas atomization, and gas atomization reaction synthesis (GARS). A comparison of the GARS aluminum powders with the commercial aluminum powders showed the former to exhibit superior powder characteristics. The powders were compared in terms of size and shape, bulk chemistry, surface oxide chemistry and structure, and oxide film thickness. Minimum explosive concentration measurements assessed the dependence of explosibility hazard on surface area, oxide film thickness, and gas atomization processing conditions. The GARS aluminum powders were exposed to different relative humidity levels, demonstrating the effect of atmospheric conditions on post-atomization processing conditions. The GARS aluminum powders were exposed to different relative humidity levels, demonstrating the effect of atmospheric conditions on post-atomization oxidation of aluminum powder. An Al-Ti-Y GARS alloy exposed in ambient air at different temperatures revealed the effect of reactive alloy elements on post-atomization powder oxidation. The pure aluminum powders were consolidated by two different routes, a conventional consolidation process for fabricating aerospace components with aluminum powder and a proposed alternative. The consolidation procedures were compared by evaluating the consolidated microstructures and the corresponding mechanical properties. A low temperature solid state sintering experiment demonstrated that tap densified GARS aluminum powders can form sintering necks between contacting powder particles, unlike the total resistance to sintering of commercial air atomization aluminum powder.

  19. Synthesis and some reactions of dibutyltin (S)- and (R)-camphorsulfonyl hydrides.

    PubMed

    Kinart, Wojciech J; Kinart, Cezary M; Kozak, Monika; Kinart, Andrzej; Sendecki, Marcin; Matczak, Piotr

    2009-08-01

    The synthesis and physical properties of dibutyltin (S)-camphorsulfonyl hydride (1) and dibutyltin (R)-camphorsulfonyl hydride (2), and diphenyltin (S)-camphorsulfonyl hydride (3) as well as that of their organotin precursors are described. Their reactivity with different amines as triethylamine, morpholine and pyridine has been compared with other mixed hydrides as dibutyltin chloride hydride, dibutyltin acetate hydride and dibutyltin dihydride. It has been studied also the possibility of using of dibutyltin (R)- or (S)-camphorsulfonyl hydrides for the stereoselective reduction of different ketones as acetophenone, menthon, camphor and cyclopropyl-(4-metoxyphenyl)-methanone. The reduction of acetophenone with studied camphorsulfonyl hydrides carried out in benzene at room temperature afforded 1-phenylethanol with relatively low enantioselectivity. Addition of 10 equiv. of MnCl(2)*4H(2)O or ZnCl(2) to the reduction mixture involving dibutyltin (S)-camphorsulfonyl hydride (1) and acetophenone and carried out in methanol and tetrahydrofuran, respectively, resulted in remarkable increase in enantioselectivity. The comparative kinetic studies of reduction of acetophenone by different hydrides proved that dibutyltin camphorsulfonyl hydride is significantly more reactive in comparison with dibutyltin chloro hydride and dibutyltin acetate hydride. Analogous results have been obtained from kinetic studies for different tin hydrides with chosen amines. The outcome of these studies supported by theoretical calculations led to the conclusion that the order of reactivity of the studied hydrides correlates with the rate of their homolytic decomposition at room temperature.

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

    NASA Technical Reports Server (NTRS)

    Schmitt, R.

    1981-01-01

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

  1. Insight into the kinetics and thermodynamics of the hydride transfer reactions between quinones and lumiflavin: a density functional theory study.

    PubMed

    Reinhardt, Clorice R; Jaglinski, Tanner C; Kastenschmidt, Ashly M; Song, Eun H; Gross, Adam K; Krause, Alyssa J; Gollmar, Jonathan M; Meise, Kristin J; Stenerson, Zachary S; Weibel, Tyler J; Dison, Andrew; Finnegan, Mackenzie R; Griesi, Daniel S; Heltne, Michael D; Hughes, Tom G; Hunt, Connor D; Jansen, Kayla A; Xiong, Adam H; Hati, Sanchita; Bhattacharyya, Sudeep

    2016-09-01

    The kinetics and equilibrium of the hydride transfer reaction between lumiflavin and a number of substituted quinones was studied using density functional theory. The impact of electron withdrawing/donating substituents on the redox potentials of quinones was studied. In addition, the role of these substituents on the kinetics of the hydride transfer reaction with lumiflavin was investigated in detail under the transition state (TS) theory assumption. The hydride transfer reactions were found to be more favorable for an electron-withdrawing substituent. The activation barrier exhibited a quadratic relationship with the driving force of these reactions as derived under the formalism of modified Marcus theory. The present study found a significant extent of electron delocalization in the TS that is stabilized by enhanced electrostatic, polarization, and exchange interactions. Analysis of geometry, bond-orders, and energetics revealed a predominant parallel (Leffler-Hammond) effect on the TS. Closer scrutiny reveals that electron-withdrawing substituents, although located on the acceptor ring, reduce the N-H bond order of the donor fragment in the precursor complex. Carried out in the gas-phase, this is the first ever report of a theoretical study of flavin's hydride transfer reactions with quinones, providing an unfiltered view of the electronic effect on the nuclear reorganization of donor-acceptor complexes.

  2. Carbothermic Aluminum Production Using Scrap Aluminum As A Coolant

    DOEpatents

    LaCamera, Alfred F.

    2002-11-05

    A process for producing aluminum metal by carbothermic reduction of alumina ore. Alumina ore is heated in the presence of carbon at an elevated temperature to produce an aluminum metal body contaminated with about 10-30% by wt. aluminum carbide. Aluminum metal or aluminum alloy scrap then is added to bring the temperature to about 900-1000.degree. C. and precipitate out aluminum carbide. The precipitated aluminum carbide is filtered, decanted, or fluxed with salt to form a molten body having reduced aluminum carbide content.

  3. Numerical Simulation and Chaotic Analysis of an Aluminum Holding Furnace

    NASA Astrophysics Data System (ADS)

    Wang, Ji-min; Zhou, Yuan-yuan; Lan, Shen; Chen, Tao; Li, Jie; Yan, Hong-jie; Zhou, Jie-min; Tian, Rui-jiao; Tu, Yan-wu; Li, Wen-ke

    2014-12-01

    To achieve high heat efficiency, low pollutant emission and homogeneous melt temperature during thermal process of secondary aluminum, taking into account the features of aluminum alloying process, a CFD process model was developed and integrated with heat load and aluminum temperature control model. This paper presented numerical simulation of aluminum holding furnaces using the customized code based on FLUENT packages. Thermal behaviors of aluminum holding furnaces were investigated by probing into main physical fields such as flue gas temperature, velocity, and concentration, and combustion instability of aluminum holding process was represented by chaos theory. The results show that aluminum temperature uniform coefficient firstly decreases during heating phase, then increases and reduces alternately during holding phase, lastly rises during standing phase. Correlation dimension drops with fuel velocity. Maximal Lyapunov exponent reaches to a maximum when air-fuel ratio is close to 1. It would be a clear comprehension about each phase of aluminum holding furnaces to find new technology, retrofit furnace design, and optimize parameters combination.

  4. MTBE OXIDATION BY BIFUNCTIONAL ALUMINUM

    EPA Science Inventory

    Bifunctional aluminum, prepared by sulfating zero-valent aluminum with sulfuric acid, has a dual functionality of simultaneously decomposing both reductively- and oxidatively-degradable contaminants. In this work, the use of bifunctional aluminum for the degradation of methyl te...

  5. Aluminum-stabilized Nb[sub 3]Sn superconductor

    DOEpatents

    Scanlan, R.M.

    1988-05-10

    Disclosed are an aluminum-stabilized Nb[sub 3]Sn superconductor and process for producing same, utilizing ultrapure aluminum. Ductile components are co-drawn with aluminum to produce a conductor suitable for winding magnets. After winding, the conductor is heated to convert it to the brittle Nb[sub 3]Sn superconductor phase, using a temperature high enough to perform the transformation but still below the melting point of the aluminum. This results in reaction of substantially all of the niobium, while providing stabilization and react-in-place features which are beneficial in the fabrication of magnets utilizing superconducting materials. 4 figs.

  6. Joining of parts via magnetic heating of metal aluminum powders

    SciTech Connect

    Baker, Ian

    2013-05-21

    A method of joining at least two parts includes steps of dispersing a joining material comprising a multi-phase magnetic metal-aluminum powder at an interface between the at least two parts to be joined and applying an alternating magnetic field (AMF). The AMF has a magnetic field strength and frequency suitable for inducing magnetic hysteresis losses in the metal-aluminum powder and is applied for a period that raises temperature of the metal-aluminum powder to an exothermic transformation temperature. At the exothermic transformation temperature, the metal-aluminum powder melts and resolidifies as a metal aluminide solid having a non-magnetic configuration.

  7. Aluminum-stabilized Nb/sub 3/Sn superconductor

    DOEpatents

    Scanlan, R.M.

    1984-02-10

    This patent discloses an aluminum-stabilized Nb/sub 3/Sn superconductor and process for producing same, utilizing ultrapure aluminum. Ductile components are co-drawn with aluminum to produce a conductor suitable for winding magnets. After winding, the conductor is heated to convert it to the brittle Nb/sub 3/Sn superconductor phase, using a temperature high enough to perform the transformation but still below the melting point of the aluminum. This results in reaction of substantially all of the niobium, while providing stabilization and react-in-place features which are beneficial in the fabrication of magnets utilizing superconducting materials.

  8. High energy density aluminum battery

    SciTech Connect

    Brown, Gilbert M.; Paranthaman, Mariappan Parans; Dai, Sheng; Dudney, Nancy J.; Manthiram, Arumugan; McIntyre, Timothy J.; Sun, Xiao-Guang; Liu, Hansan

    2016-10-11

    Compositions and methods of making are provided for a high energy density aluminum battery. The battery comprises an anode comprising aluminum metal. The battery further comprises a cathode comprising a material capable of intercalating aluminum or lithium ions during a discharge cycle and deintercalating the aluminum or lithium ions during a charge cycle. The battery further comprises an electrolyte capable of supporting reversible deposition and stripping of aluminum at the anode, and reversible intercalation and deintercalation of aluminum or lithium at the cathode.

  9. THE HYDROLYSIS AND OXIDATION BEHAVIOR OF LITHIUM BOROHYDRIDE AND MAGNESIUM HYDRIDE DETERMINED BY CALORIMETRY

    SciTech Connect

    Brinkman, K; Donald Anton, D; Joshua Gray, J; Bruce Hardy, B

    2008-03-13

    Lithium borohydride, magnesium hydride and the 2:1 'destabilized' ball milled mixtures (2LiBH{sub 4}:MgH{sub 2}) underwent liquid phase hydrolysis, gas phase hydrolysis and air oxidation reactions monitored by isothermal calorimetry. The experimentally determined heats of reaction and resulting products were compared with those theoretically predicted using thermodynamic databases. Results showed a discrepancy between the predicted and observed hydrolysis and oxidation products due to both kinetic limitations and to the significant amorphous character of observed reaction products. Gas phase and liquid phase hydrolysis were the dominant reactions in 2LiBH{sub 4}:MgH{sub 2} with approximately the same total energy release and reaction products; liquid phase hydrolysis displayed the maximum heat flow for likely environmental exposure with a peak energy release of 6 (mW/mg).

  10. Is the Aluminum Hypothesis Dead?

    PubMed Central

    2014-01-01

    The Aluminum Hypothesis, the idea that aluminum exposure is involved in the etiology of Alzheimer disease, dates back to a 1965 demonstration that aluminum causes neurofibrillary tangles in the brains of rabbits. Initially the focus of intensive research, the Aluminum Hypothesis has gradually been abandoned by most researchers. Yet, despite this current indifference, the Aluminum Hypothesis continues to attract the attention of a small group of scientists and aluminum continues to be viewed with concern by some of the public. This review article discusses reasons that mainstream science has largely abandoned the Aluminum Hypothesis and explores a possible reason for some in the general public continuing to view aluminum with mistrust. PMID:24806729

  11. Lithium-aluminum-iron electrode composition

    DOEpatents

    Kaun, Thomas D.

    1979-01-01

    A negative electrode composition is presented for use in a secondary electrochemical cell. The cell also includes an electrolyte with lithium ions such as a molten salt of alkali metal halides or alkaline earth metal halides that can be used in high-temperature cells. The cell's positive electrode contains a a chalcogen or a metal chalcogenide as the active electrode material. The negative electrode composition includes up to 50 atom percent lithium as the active electrode constituent in an alloy of aluminum-iron. Various binary and ternary intermetallic phases of lithium, aluminum and iron are formed. The lithium within the intermetallic phase of Al.sub.5 Fe.sub.2 exhibits increased activity over that of lithium within a lithium-aluminum alloy to provide an increased cell potential of up to about 0.25 volt.

  12. Lithium-aluminum-magnesium electrode composition

    DOEpatents

    Melendres, Carlos A.; Siegel, Stanley

    1978-01-01

    A negative electrode composition is presented for use in a secondary, high-temperature electrochemical cell. The cell also includes a molten salt electrolyte of alkali metal halides or alkaline earth metal halides and a positive electrode including a chalcogen or a metal chalcogenide as the active electrode material. The negative electrode composition includes up to 50 atom percent lithium as the active electrode constituent and a magnesium-aluminum alloy as a structural matrix. Various binary and ternary intermetallic phases of lithium, magnesium, and aluminum are formed but the electrode composition in both its charged and discharged state remains substantially free of the alpha lithium-aluminum phase and exhibits good structural integrity.

  13. Arsenic speciation in natural water samples by coprecipitation-hydride generation atomic absorption spectrometry combination.

    PubMed

    Tuzen, Mustafa; Citak, Demirhan; Mendil, Durali; Soylak, Mustafa

    2009-04-15

    A speciation procedure for As(III) and As(V) ions in environmental samples has been presented. As(V) was quantitatively recovered on aluminum hydroxide precipitate. After oxidation of As(III) by using dilute KMnO(4), the developed coprecipitation was applied to determination of total arsenic. Arsenic(III) was calculated as the difference between the total arsenic content and As(V) content. The determination of arsenic levels was performed by hydride generation atomic absorption spectrometry (HG-AAS). The analytical conditions for the quantitative recoveries of As(V) including pH, amount of aluminum as carrier element and sample volume, etc. on the presented coprecipitation system were investigated. The effects of some alkaline, earth alkaline, metal ions and also some anions were also examined. Preconcentration factor was calculated as 25. The detection limits (LOD) based on three times sigma of the blank (N: 21) for As(V) was 0.012 microg L(-1). The satisfactory results for the analysis of arsenic in NIST SRM 2711 Montana soil and LGC 6010 Hard drinking water certified reference materials for the validation of the method was obtained. The presented procedure was successfully applied to real samples including natural waters for arsenic speciation.

  14. Anodizing Aluminum with Frills.

    ERIC Educational Resources Information Center

    Doeltz, Anne E.; And Others

    1983-01-01

    "Anodizing Aluminum" (previously reported in this journal) describes a vivid/relevant laboratory experience for general chemistry students explaining the anodizing of aluminum in sulfuric acid and constrasting it to electroplating. Additions to this procedure and the experiment in which they are used are discussed. Reactions involved are…

  15. Relativistic effects on sixth group hydrides

    NASA Astrophysics Data System (ADS)

    Pisani, L.; Clementi, E.

    1994-08-01

    Dirac-Fock (DF) and Hartree-Fock (HF) calculations have been performed for the ground state configuration of the H2O, H2S, H2Se, H2Te, and H2Po molecules. Equilibrium geometries, atomization energies, and molecular orbitals energies are evaluated with both methods, compared and discussed with the help of population analysis and atomic orbital energies. Particular attention has been given to a qualitative understanding of the relativistic effects. Molecular spin-orbits corrections appear to be essential to a description of some in the sixth group hydrides set. A description of the relativistic computer program is presented elsewhere [L. Pisani and E. Clementi, J. Comput. Chem. (in press)].

  16. Zirconium Hydride Space Power Reactor design.

    NASA Technical Reports Server (NTRS)

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

    1972-01-01

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

  17. Far-infrared spectrum of sodium hydride

    NASA Astrophysics Data System (ADS)

    Leopold, K. R.; Zink, L. R.; Evenson, K. M.; Jennings, D. A.

    1987-03-01

    Rotational spectra in the v = 0, 1, 2, and 3 levels of the ground ( 1Σ) state of sodium hydride have been observed using tunable far-infrared radiation generated from the difference frequency between two CO 2 lasers. The Dunham coefficients, which have been determined without the use of optical data or isotopic scaling relations, are Y01 = 146 999.138(38) MHz, Y02 = -10.29481(54) MHz, Y03 = 6.243(49) × 10 -4 MHz, Y11 = -4109.912(68) MHz, Y12 = 0.14695(68) MHz, Y21 = 33.341(34) MHz, Y22 = -2.69(20) × 10 -3 MHz, and Y31 = -1.0517(55) MHz. The constants are typically an order of magnitude more accurate than the best values previously available, and where comparison is possible, agreement is found to be excellent.

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

    ERIC Educational Resources Information Center

    Rioux, Frank; Harriss, Donald K.

    1980-01-01

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

  19. Thermally unstable hydrides of titanium aluminide Ti3Al

    NASA Astrophysics Data System (ADS)

    Kazantseva, N. V.; Popov, A. G.; Mushnikov, N. V.; Skripov, A. V.; Soloninin, A. V.; Aleksashin, B. A.; Novozhenov, V. I.; Sazonova, V. A.; Kharisova, A. G.

    2011-04-01

    The hydrogen capacity of (Ti, Nb)3Al titanium aluminides subjected to mechanical activation in a hydrogen atmosphere has been studied. It has been shown that the application of this procedure allows one to prepare thermally unstable titanium aluminide (Ti3Al) hydrides with a high hydrogen content (to 2.6 wt %) at room temperature and normal pressure; in this case, no special requirements for the hydrogen purity are placed. The thermally unstable nanostructured Ti3Al hydrides were found to exhibit a higher hydrogen mobility as compared to that of the microcrystalline hydrides. Low niobium additions (to 2.1 at %) have been found to decrease the hydrogen capacity. Experiments on the preparation of bulk samples from the hydride powders obtained were performed.

  20. Life test results of hydride compressors for cryogenic refrigerators

    NASA Astrophysics Data System (ADS)

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

    1984-01-01

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

  1. Metal hydrides as negative electrode materials for Ni- MH batteries

    NASA Astrophysics Data System (ADS)

    Yartys, V.; Noreus, D.; Latroche, M.

    2016-01-01

    Structural, thermodynamical and electrochemical properties of metallic hydrides belonging to the pseudo-binary family A-Mg-Ni ( A: rare earths) are reviewed and compared. Technology aspects of bipolar cells are also discussed.

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

    DOEpatents

    Crisler, L.R.

    1975-11-11

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

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

    PubMed

    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.

  4. Bipolar Nickel-Metal Hydride Battery Being Developed

    NASA Technical Reports Server (NTRS)

    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.

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

    SciTech Connect

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

    2013-01-01

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

  6. Aluminum-lithium target behavior

    SciTech Connect

    McDonell, W.R.

    1989-10-01

    Information on physical properties and irradiation behavior of aluminum-lithium target alloys employed for the production of tritium in Savannah River reactors has been reviewed to support development of technology for the New Production Reactor (NPR). Phase compositions and microstructures, thermal conductivity, mechanical properties, and constituent diffusion phenomena of the alloys, established in prior site studies, are presented. Irradiation behavior, including distributions of product tritium and helium and related exposure limits due to swelling and cracking of the target alloys is discussed, along with gas release processes occurring during subsequent product recovery operations. The property review supports designation of the aluminum-lithium alloys as ideally well-suited target materials for low-temperature, tritium-producing reactors, demonstrated over 35 years of Savannah River reactor operation. Low temperature irradiation and reaction with lithium in the alloy promotes tritium retention during reactor exposure, and the aluminum provides a matrix from which the product is readily recovered on heating following irradiation. 33 refs., 26 figs., 8 tabs.

  7. The Aluminum Smelting Process

    PubMed Central

    2014-01-01

    This introduction to the industrial primary aluminum production process presents a short description of the electrolytic reduction technology, the history of aluminum, and the importance of this metal and its production process to modern society. Aluminum's special qualities have enabled advances in technologies coupled with energy and cost savings. Aircraft capabilities have been greatly enhanced, and increases in size and capacity are made possible by advances in aluminum technology. The metal's flexibility for shaping and extruding has led to architectural advances in energy-saving building construction. The high strength-to-weight ratio has meant a substantial reduction in energy consumption for trucks and other vehicles. The aluminum industry is therefore a pivotal one for ecological sustainability and strategic for technological development. PMID:24806722

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

    NASA Astrophysics Data System (ADS)

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

    2013-06-01

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

  9. Method of selective reduction of polyhalosilanes with alkyltin hydrides

    DOEpatents

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

    1989-01-01

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

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

    SciTech Connect

    Rueben L. Gutierrez

    2001-04-01

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

  11. Evaluation of Al3Mg2 precipitates and Mn-rich phase in aluminum-magnesium alloy based on scanning transmission electron microscopy imaging

    SciTech Connect

    Zhu, Yakun; Cullen, David A; Kar, Soumya; Free, Michael P; Allard Jr, Lawrence Frederick

    2012-01-01

    Scanning transmission electron microscopy (STEM) and energy dispersive X-ray spectroscopy (EDS) were used to observe intergranular and intragranular -phase (Al3Mg2) formation and growth in as-received sample and long-term (~ 1 year) thermally treated samples of 5083-H131 alloy. Rod-shaped and equiaxed particles rich in Mn, Fe, and Cr were present in the as-received and heat treated samples. The -phase precipitated along grain boundaries as well as around and between preexisting Mn-Fe-Cr rich particles. The measured thickness of -phase along grain boundaries was lower than Zener Hillert diffusion model predicted value and the potential reasons were theoretically analyzed. Dislocation networks, grain boundaries, and different preexisting particles were observed to contribute to Mg diffusion and -phase precipitation.

  12. Novel fuel cell stack with coupled metal hydride containers

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

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

    SciTech Connect

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

    2013-09-30

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

  14. Effect of niobium additions on initial hydriding kinetics of uranium

    NASA Astrophysics Data System (ADS)

    Li, Ruiwen; Wang, Xiaolin

    2014-06-01

    To study the behavior of hydrogen corrosion at the surface of U, U-2.5 wt%Nb alloy and U-5.7 wt%Nb, a gas-solid reaction system with an in situ microscope was designed. The nucleation and growth of the hydride of the alloy were continuously observed and recorded by a computer. The different characteristics of the hydrides on U metal and U-2.5 wt%Nb showed that the later alloy is more susceptible to hydrogen corrosion than the former. The growth rate of hydride of U-2.5 wt%Nb, calculated by measuring the perimeter of the hydride spots recorded by the in situ microscope, exhibited a reaction temperature dependency in the range of 40-160 °C, for pressure of 0.8 × 105 Pa. An Arrhenius plot for growth rate versus temperature yielded activation energy of 24.34 kJ/mol for the hydriding of U-2.5 wt%Nb alloy. The maximum hydriding rate was obtained at 125 °C, whose thermodynamics reason was discussed.

  15. Effect of aluminum thickness on solar cell performance

    NASA Astrophysics Data System (ADS)

    Amick, James A.; Bottari, Frank J.; Hanoka, Jack I.

    1994-06-01

    For crystalline silicon solar cells having an alloyed aluminum back contact, open-circuit voltage increases with aluminum thickness. The increase is ascribed to the formation of a p(+)/p 'high-low' junction by liquid-phase epitaxy, resulting in increased efficiency for the cell. With thick aluminum layers, the characteristics of the p(+) regrown region are in reasonable agreement with predictions based on the Al-Si phase diagram. With thin aluminum layers the junction is nonideal, and the improvement in V(sub oc) is much smaller. Pile-up of metallic impurities at the aluminum/p(+) interface is attributed to rejection of these impurities during the silicon regrowth process.

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

    PubMed

    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.

  17. Clinical biochemistry of aluminum

    SciTech Connect

    King, S.W.; Savory, J.; Wills, M.R.

    1981-05-01

    Aluminum toxicity has been implicated in the pathogenesis of a number of clinical disorders in patients with chronic renal failure on long-term intermittent hemodialysis treatment. The predominant disorders have been those involving either bone (osteomalacic dialysis osteodystrophy) or brain (dialysis encephalopathy). In nonuremic patients, an increased brain aluminum concentration has been implicated as a neurotoxic agent in the pathogenesis of Alzheimer's disease and was associated with experimental neurofibrillary degeneration in animals. The brain aluminum concentrations of patients dying with the syndrome of dialysis encephalopathy (dialysis dementia) are significantly higher than in dialyzed patients without the syndrome and in nondialyzed patients. Two potential sources for the increased tissue content of aluminum in patients on hemodialysis have been proposed: (1) intestinal absorption from aluminum containing phosphate-binding gels, and (2) transfer across the dialysis membrane from aluminum in the water used to prepare the dialysate. These findings, coupled with our everyday exposure to the ubiquitous occurrence of aluminum in nature, have created concerns over the potential toxicity of this metal.

  18. Preparing TiNiNb shape memory alloy powders by hydriding-dehydriding process

    NASA Astrophysics Data System (ADS)

    Shao, Yang; Cui, Lishan; Jiang, Xiaohua; Guo, Fangmin; Liu, Yinong; Hao, Shijie

    2016-07-01

    High-quality TiNiNb shape memory alloy (SMA) powders were prepared by hydrogenation of cold-worked TiNiNb SMA wire composed of amorphous and nancrystalline microstructure, by mechanical pulverization and vacuum dehydrogenation. It is revealed that abundant structural defects introduced by cold-work greatly promoted hydrogen diffusion, which significantly decreased hydriding temperature and shortened hydriding time. After hydrogenation, the hydrogenated sample composed of TiNiH and NbH with high brittleness can be easily ground into ultra-fine powers. The TiNiNb powers obtained by following vacuum dehydrogenation exhibit almost the same reversible phase transformation behavior as that of the original TiNiNb SMA before cold-work. Moreover, a TiNiNb part was obtained by hot-pressure sintering the hydrogenated powders, where sintering and dehydrogenation are carried out in one single step. The sintered TiNiNb part shows most the same reversible phase transformation behaviors as that of the original TiNiNb SMA and there is no visible additional brittle phase appearance.

  19. Cast Aluminum Bonding Study

    DTIC Science & Technology

    1988-05-01

    fabricated using P?-’r;est11 bur)ld II19 te(hnll I Oly with 6 cIsL nqs. The cast a lumi num alloy used was A357 . The sur- face preparation was phosphoric acid...from a cast aluminum alloy designated A357 . The bonding surfaces of the adherends were prepared using PAA. One primer and two adhesives considered...System, Cast Aluminum Lap Shear 18 11 Bond Area of 350°F Adhesive System, Cast Aluminum Lap Shear 19 vi LIST OF TABLES TABLE PAGE 1 A357 Chemical

  20. Purifying Aluminum by Vacuum Distillation

    NASA Technical Reports Server (NTRS)

    Du Fresne, E. R.

    1985-01-01

    Proposed method for purifying aluminum employs one-step vacuum distillation. Raw material for process impure aluminum produced in electrolysis of aluminum ore. Impure metal melted in vacuum. Since aluminum has much higher vapor pressure than other constituents, boils off and condenses on nearby cold surfaces in proportions much greater than those of other constituents.