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Sample records for aluminum hydrogen cluster

  1. Theoretical Study of Hydrogenated Tetrahedral Aluminum Clusters

    CERN Document Server

    Ichikawa, Kazuhide; Wagatsuma, Ayumu; Watanabe, Kouhei; Szarek, Pawel; Tachibana, Akitomo

    2011-01-01

    We report on the structures of aluminum hydrides derived from a tetrahedral aluminum Al4 cluster using ab initio quantum chemical calculation. Our calculation of binding energies of the aluminum hydrides reveals that stability of these hydrides increases as more hydrogen atoms are adsorbed, while stability of Al-H bonds decreases. We also analyze and discuss the chemical bonds of those clusters by using recently developed method based on the electronic stress tensor.

  2. Hydrogen effects in aluminum alloys

    International Nuclear Information System (INIS)

    The permeability of six commercial aluminum alloys to deuterium and tritium was determined by several techniques. Surface films inhibited permeation under most conditions; however, contact with lithium deuteride during the tests minimized the surface effects. Under these conditions phi/sub D2/ = 1.9 x 10-2 exp (--22,400/RT) cc (NTP)atm/sup --1/2/ s-1cm-1. The six alloys were also tested before, during, and after exposure to high pressure hydrogen, and no hydrogen-induced effects on the tensile properties were observed

  3. Aluminum Zintl anion moieties within sodium aluminum clusters

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Haopeng; Zhang, Xinxing; Ko, Yeon Jae; Grubisic, Andrej; Li, Xiang; Ganteför, Gerd; Bowen, Kit H., E-mail: AKandalam@wcupa.edu, E-mail: kiran@mcneese.edu, E-mail: kbowen@jhu.edu [Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Schnöckel, Hansgeorg [Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, 76128 Karlsruhe (Germany); Eichhorn, Bryan W. [Department of Chemistry, University of Maryland at College Park, College Park, Maryland 20742 (United States); Lee, Mal-Soon; Jena, P. [Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284 (United States); Kandalam, Anil K., E-mail: AKandalam@wcupa.edu, E-mail: kiran@mcneese.edu, E-mail: kbowen@jhu.edu [Department of Physics, West Chester University of Pennsylvania, West Chester, Pennsylvania 19383 (United States); Kiran, Boggavarapu, E-mail: AKandalam@wcupa.edu, E-mail: kiran@mcneese.edu, E-mail: kbowen@jhu.edu [Department of Chemistry, McNeese State University, Lake Charles, Louisiana 70609 (United States)

    2014-02-07

    Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have established that aluminum moieties within selected sodium-aluminum clusters are Zintl anions. Sodium–aluminum cluster anions, Na{sub m}Al{sub n}{sup −}, were generated in a pulsed arc discharge source. After mass selection, their photoelectron spectra were measured by a magnetic bottle, electron energy analyzer. Calculations on a select sub-set of stoichiometries provided geometric structures and full charge analyses for both cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra), and fragment molecular orbital based correlation diagrams.

  4. Activated aluminum hydride hydrogen storage compositions and uses thereof

    Science.gov (United States)

    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.

  5. Tailoring and Scaling Energetic Aluminum Clusters into Cluster Assembled Materials

    Science.gov (United States)

    Smith, Jordan Cesar

    As matter decreases in size the importance of a single atom increases exponentially. The properties of clusters, molecules with less than 100 atoms, will change drastically with the addition or removal of a single atom. Clusters have been shown to have properties that mimic other elements and properties that are completely unique. Cluster assemblies could enable the tailoring of precise properties in materials, providing cheap replacements for expensive elements, or novel materials for new applications. Aluminum clusters show great potential use in many applications including energy and catalysis. This work is focused on gaining a better understanding of how geometry and electronic structure affect aluminum cluster reactivity and how useful clusters might be successfully assembled into materials. The effects of doping aluminum cluster ions with boron atoms are reported and show that the addition of a single boron atom usually stabilizes the cluster while adding more boron atoms results in a breaking of symmetry and destabilization. A new analytical technique, matrix isolation cavity ring-down spectroscopy (MICRDS) was developed to help bridge the gap between gas phase cluster studies and condensed phase cluster materials. Molecules are trapped in an inert matrix and studied using cavity ring-down spectroscopy. MICRDS has the potential to also combine clusters into small stable units that would maintain their advantageous gas phase properties.

  6. Hydrogen in aluminum during alkaline corrosion

    Energy Technology Data Exchange (ETDEWEB)

    Adhikari, Saikat; Ai, Jiahe [Department of Chemical and Biological Engineering, Iowa State University, Ames, IA 50011 (United States); Hebert, Kurt R., E-mail: krhebert@iastate.ed [Department of Chemical and Biological Engineering, Iowa State University, Ames, IA 50011 (United States); Ho, K.M.; Wang, C.Z. [US DOE, Ames Laboratory, Ames, IA 50011 (United States)] [Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States)

    2010-07-30

    The thermodynamic state of hydrogen in aluminum during alkaline corrosion was investigated, using a two-compartment hydrogen permeation cell with an Al/Pd bilayer membrane. The open-circuit potential of the Pd layer in a pH 7.0 buffer solution was monitored to sense the hydrogen chemical potential, {mu}{sub H}. At pH 12.5-13.5, the measurements established a minimum {mu}{sub H} of 0.55 eV relative to the ideal gas reference, equivalent to a H{sub 2} gas pressure of 5.7 GPa. Statistical mechanics calculations show that vacancy-hydrogen defects are stable in Al at this condition. A dissolution mechanism was proposed in which H at very high {mu}{sub H} is produced by oxidation of interfacial aluminum hydride. The mechanism explains the observed rapid accumulation of H in the metal by extensive formation of vacancy-hydrogen defects.

  7. The viability of aluminum Zintl anion moieties within magnesium-aluminum clusters

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Haopeng; Jae Ko, Yeon; Zhang, Xinxing; Gantefoer, Gerd; Bowen, Kit H., E-mail: kiran@mcneese.edu, E-mail: akandalam@wcupa.edu, E-mail: kbowen@jhu.edu [Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Schnoeckel, Hansgeorg [Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, 76128 Karlsruhe (Germany); Eichhorn, Bryan W. [Department of Chemistry, University of Maryland, College Park, Maryland 20742 (United States); Jena, Puru [Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284 (United States); Kiran, Boggavarapu, E-mail: kiran@mcneese.edu, E-mail: akandalam@wcupa.edu, E-mail: kbowen@jhu.edu [Department of Chemistry, McNeese State University, Lake Charles, Louisiana 70609 (United States); Kandalam, Anil K., E-mail: kiran@mcneese.edu, E-mail: akandalam@wcupa.edu, E-mail: kbowen@jhu.edu [Department of Physics, West Chester University, West Chester, Pennsylvania 19383 (United States)

    2014-03-28

    Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have investigated the extent to which the aluminum moieties within selected magnesium-aluminum clusters are Zintl anions. Magnesium-aluminum cluster anions were generated in a pulsed arc discharge source. After mass selection, photoelectron spectra of Mg{sub m}Al{sub n}{sup −} (m, n = 1,6; 2,5; 2,12; and 3,11) were measured by a magnetic bottle, electron energy analyzer. Calculations on these four stoichiometries provided geometric structures and full charge analyses for the cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra). Calculations revealed that, unlike the cases of recently reported sodium-aluminum clusters, the formation of aluminum Zintl anion moieties within magnesium-aluminum clusters was limited in most cases by weak charge transfer between the magnesium atoms and their aluminum cluster moieties. Only in cases of high magnesium content, e.g., in Mg{sub 3}Al{sub 11} and Mg{sub 2}Al{sub 12}{sup −}, did the aluminum moieties exhibit Zintl anion-like characteristics.

  8. Reaction of Aluminum with Water to Produce Hydrogen - 2010 Update

    Energy Technology Data Exchange (ETDEWEB)

    Petrovic, John [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Thomas, George [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2011-06-01

    A Study of Issues Related to the Use of Aluminum for On-Board Vehicular Hydrogen Storage The purpose of this White Paper is to describe and evaluate the potential of aluminum-water reactions for the production of hydrogen for on-board hydrogen-powered vehicle applications. Although the concept of reacting aluminum metal with water to produce hydrogen is not new, there have been a number of recent claims that such aluminum-water reactions might be employed to power fuel cell devices for portable applications such as emergency generators and laptop computers, and might even be considered for possible use as the hydrogen source for fuel cell-powered vehicles.

  9. Photoelectron spectroscopy of boron aluminum hydride cluster anions

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Haopeng; Zhang, Xinxing; Ko, Yeon Jae; Gantefoer, Gerd; Bowen, Kit H., E-mail: kbowen@jhu.edu, E-mail: kiran@mcneese.edu [Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Li, Xiang [Center for Space Science and Technology, University of Maryland–Baltimore County, Baltimore, Maryland 21250 (United States); Kiran, Boggavarapu, E-mail: kbowen@jhu.edu, E-mail: kiran@mcneese.edu [Department of Chemistry and Physics, McNeese State University, Lake Charles, Louisiana 70609 (United States); Kandalam, Anil K. [Department of Physics, West Chester University, West Chester, Pennsylvania 19383 (United States)

    2014-04-28

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

  10. Hydrogen storage in sodium aluminum hydride.

    Energy Technology Data Exchange (ETDEWEB)

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

    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.

  11. Evolution of ConAl clusters and chemisorption of hydrogen on ConAl clusters

    International Nuclear Information System (INIS)

    The growth behavior of ConAl (n = 1–15) and the chemisorptions of hydrogen on the ground state geometries have been studied using the density functional theory (DFT) within the generalized gradient approximation (GGA). The growth pattern for ConAl is Al-substituted Con+1 clusters, and it keeps the similar frameworks of the most stable Con+1 clusters except for n = 2, 3, and 6. The Al atom substitutes the surface atom of the Con+1 clusters for n ≤ 13. Starting from n = 14, the Al atom completely falls into the center of the Co-frame. The dissociation energy, the second-order energy differences, and the HOMO–LUMO gaps indicate that the magic numbers of the calculated ConAl clusters are 7, 9, and 13, corresponding to the high symmetrical structures. To my knowledge, this is the first time that a systematic study of chemisorption of hydrogen on cobalt aluminum clusters. The twofold bridge site is identified to be the most favorable chemisorptions site for one hydrogen adsorption on ConAl (n = 1–6, 8, 10), and two hydrogen adsorption on ConAl (n = 1–7), while threefold hollow site is preferred for one hydrogen adsorption on ConAl (n = 7, 9, 11–15) and two hydrogen adsorption on ConAl (n = 8–10, 12–15) clusters. The ground state structure of two hydrogen adsorption on Co11Al is exceptional. In general, the binding energy of both H and 2H of ConAl (n = 1–12) is found to increase with the cluster size. And the result shows that large binding energies of the hydrogen atoms and large fragmentation energies for Co11AlH and Co12AlH make these species behaving like magic clusters.

  12. Effects of solvation shells and cluster size on the reaction of aluminum clusters with water

    Directory of Open Access Journals (Sweden)

    Weiwei Mou

    2011-12-01

    Full Text Available Reaction of aluminum clusters, Aln (n = 16, 17 and 18, with liquid water is investigated using quantum molecular dynamics simulations, which show rapid production of hydrogen molecules assisted by proton transfer along a chain of hydrogen bonds (H-bonds between water molecules, i.e. Grotthuss mechanism. The simulation results provide answers to two unsolved questions: (1 What is the role of a solvation shell formed by non-reacting H-bonds surrounding the H-bond chain; and (2 whether the high size-selectivity observed in gas-phase Aln-water reaction persists in liquid phase? First, the solvation shell is found to play a crucial role in facilitating proton transfer and hence H2 production. Namely, it greatly modifies the energy barrier, generally to much lower values (< 0.1 eV. Second, we find that H2 production by Aln in liquid water does not depend strongly on the cluster size, in contrast to the existence of magic numbers in gas-phase reaction. This paper elucidates atomistic mechanisms underlying these observations.

  13. Synthesis and Hydrogen Desorption Properties of Aluminum Hydrides.

    Science.gov (United States)

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

    2016-03-01

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

  14. Hydrogen generation through massive corrosion of deformed aluminum in water

    Energy Technology Data Exchange (ETDEWEB)

    Czech, E.; Troczynski, T. [Materials Engineering Department, University of British Columbia, 309-6350 Stores Rd., Vancouver, BC V6T 1Z4 (Canada)

    2010-02-15

    Aluminum, one of most reactive metals, rapidly corrodes in strong acidic or alkaline solutions but passivates at pH of about 5-9. We have determined that the passivation of aluminum in this range of pH, and in particular in regular tap water, can be substantially prevented after milling of aluminum with water-soluble inorganic salts (referred to as ''WIS''), such as KCl or NaCl. Ensuing corrosion of Al in tap water, with accompanying release of hydrogen and precipitation of aluminum hydroxide, at normal pressure and moderate temperatures ({proportional_to}55 C) is rapid and substantial. For example, {proportional_to}92% of the Al in the Al-WIS system when milled for 1 h and {proportional_to}81% when milled for 15 min, corrodes in 1 h, with the release of 1.5 mol of hydrogen per each mole of Al consumed in the reaction. Besides gaseous hydrogen, only solid aluminum hydroxides were formed as the reaction byproducts, opening up the possibility of straightforward recycling of the system. The effects of WIS concentration, chemistry of other additives, powder particle size, temperature, and milling conditions on the reaction kinetics are reported. (author)

  15. Growth of metalloid aluminum clusters on graphene vacancies

    Science.gov (United States)

    Alnemrat, Sufian; Mayo, Dennis H.; DeCarlo, Samantha; Hooper, Joseph P.

    2016-01-01

    Ab initio simulations are used to show that graphene vacancy sites may offer a means of templated growth of metalloid aluminum clusters from their monohalide precursors. We present density functional theory and ab initio molecular dynamics simulations of the aluminum halide AlCl interacting with a graphene surface. Unlike a bare Al adatom, AlCl physisorbs weakly on vacancy-free graphene with little charge transfer and no hybridization with carbon orbitals. The barrier for diffusion of AlCl along the surface is negligible. Covalent bonding is seen only with vacancies and results in strong chemisorption and considerable distortion of the nearby lattice. Car-Parrinello molecular dynamics simulations of AlCl liquid around a graphene single vacancy show spontaneous metalloid cluster growth via a process of repeated insertion reactions. This suggests a means of templated cluster nucleation and growth on a carbon substrate and provides some confirmation for the role of a trivalent aluminum species in nucleating a ligated metalloid cluster from AlCl and AlBr solutions.

  16. Sequential desorption energy of hydrogen from nickel clusters

    Energy Technology Data Exchange (ETDEWEB)

    Deepika,; Kumar, Rakesh, E-mail: rakesh@iitrpr.ac.in [Department of Physics, Indian Institute of Technology Ropar, Rupnagar-140001 (India); R, Kamal Raj. [Indian Institute of Science Education and Research Kolkata, Mohanpur-741246 (India); Kumar, T. J. Dhilip [Department of Chemistry, Indian Institute of Technology Ropar, Rupnagar-140001 (India)

    2015-06-24

    We report reversible Hydrogen adsorption on Nickel clusters, which act as a catalyst for solid state storage of Hydrogen on a substrate. First-principles technique is employed to investigate the maximum number of chemically adsorbed Hydrogen molecules on Nickel cluster. We observe a maximum of four Hydrogen molecules adsorbed per Nickel atom, but the average Hydrogen molecules adsorbed per Nickel atom decrease with cluster size. The dissociative chemisorption energy per Hydrogen molecule and sequential desorption energy per Hydrogen atom on Nickel cluster is found to decrease with number of adsorbed Hydrogen molecules, which on optimization may help in economical storage and regeneration of Hydrogen as a clean energy carrier.

  17. Radical attached aluminum nanoclusters: an alternative way of cluster stabilization.

    Science.gov (United States)

    Sengupta, Turbasu; Pal, Sourav

    2016-08-21

    The stability and electronic structure of radical attached aluminum nanoclusters are investigated using density functional theory (DFT). A detailed investigation shows good correlation between the thermodynamic stability of radical attached clusters and the stability of the attached radical anions. All other calculated parameters like HOMO-LUMO gap and charge transfer are also found to be consistent with the observed thermodynamic stabilities of the complexes. Investigation of the electronic structure of radical attached complexes further shows the presence of jellium structures within the core similar to the ligated clusters. Comparison with available experimental and theoretical data also proves the validity of superatomic complex theory for the radical attached clusters as well. Based on the evaluated thermodynamic parameters, selected radical attached clusters are observed to be more thermodynamically stable in comparison with experimentally synthesized ligated clusters. Stabilization of small metal clusters is one of the greatest challenges in current cluster science and the present investigation confirms the fact that radical attached clusters can provide a viable alternative to ligated clusters in the future. PMID:27435912

  18. Hydrogen bonds in methane-water clusters.

    Science.gov (United States)

    Salazar-Cano, Juan-Ramón; Guevara-García, Alfredo; Vargas, Rubicelia; Restrepo, Albeiro; Garza, Jorge

    2016-08-24

    Characterization of hydrogen bonds in CH4-(H2O)12 clusters was carried out by using several quantum chemistry tools. An initial stochastic search provided around 2 500 000 candidate structures, then, using a convex-hull polygon criterion followed by gradient based optimization under the Kohn-Sham scheme, a total of 54 well defined local minima were located in the Potential Energy Surface. These structures were further analyzed through second-order many-body perturbation theory with an extended basis set at the MP2/6-311++G(d,p) level. Our analysis of Gibbs energies at several temperatures clearly suggests a structural preference toward compact water clusters interacting with the external methane molecule, instead of the more commonly known clathrate-like structures. This study shows that CH4-(H2O)12 clusters may be detected at temperatures up to 179 K, this finding provides strong support to a recently postulated hypothesis that suggests that methane-water clusters could be present in Mars at these conditions. Interestingly, we found that water to water hydrogen bonding is strengthened in the mixed clusters when compared to the isolated water dimer, which in turn leads to a weakening of the methane to water hydrogen bonding when compared to the CH4-(H2O) dimer. Finally, our evidence places a stern warning about the abilities of popular geometrical criteria to determine the existence of hydrogen bonds. PMID:27492605

  19. Hydrogen-induced initiation of corrosion in aluminum

    Energy Technology Data Exchange (ETDEWEB)

    Sergey N. Rashkeev; K. W. Sohlberg; S. P. Zhuo; S. T. Pantelides

    2007-05-01

    Corrosion resistance of aluminum alloys is related to the presence of a thin, passivating aluminum oxide film on the surface. In this paper, we perform first-principles quantum-mechanical calculations to provide atomic scale understanding of the initiation of corrosion in Al. Our results support the hypothesis that hydrogen plays an important role at different stages of the Al corrosion process. In particular, atomic hydrogen can penetrate into the oxide film and cause structural damage in both the oxide and at the Al/Al2O3 interface. The corrosion is then initiated by a breakdown of the oxide film and a subsequent pit development on the surface of the metal exposed to the environment.

  20. Classical and quantum physics of hydrogen clusters.

    Science.gov (United States)

    Mezzacapo, Fabio; Boninsegni, Massimo

    2009-04-22

    We present results of a comprehensive theoretical investigation of the low temperature (T) properties of clusters of para-hydrogen (p-H(2)), both pristine as well as doped with isotopic impurities (i.e., ortho-deuterium, o-D(2)). We study clusters comprising up to N = 40 molecules, by means of quantum simulations based on the continuous-space Worm algorithm. Pristine p-H(2) clusters are liquid-like and superfluid in the [Formula: see text] limit. The superfluid signal is uniform throughout these clusters; it is underlain by long cycles of permutation of molecules. Clusters with more than 22 molecules display solid-like, essentially classical behavior at temperatures down to T∼1 K; some of them are seen to turn liquid-like at sufficiently low T (quantum melting).

  1. Ground state structures and properties of small hydrogenated silicon clusters

    Indian Academy of Sciences (India)

    R Prasad

    2003-01-01

    We present results for ground state structures and properties of small hydrogenated silicon clusters using the Car–Parrinello molecular dynamics with simulated annealing. We discuss the nature of bonding of hydrogen in these clusters. We find that hydrogen can form a bridge like Si–H–Si bond connecting two silicon atoms. We find that in the case of a compact and closed silicon cluster hydrogen bonds to the silicon cluster from outside. To understand the structural evolutions and properties of silicon cluster due to hydrogenation, we have studied the cohesive energy and first excited electronic level gap of clusters as a function of hydrogenation. We find that first excited electronic level gap of Si and SiH fluctuates as function of size and this may provide a first principle basis for the short-range potential fluctuations in hydrogenated amorphous silicon. The stability of hydrogenated silicon clusters is also discussed.

  2. The electronic structure of free aluminum clusters: metallicity and plasmons.

    Science.gov (United States)

    Andersson, Tomas; Zhang, Chaofan; Tchaplyguine, Maxim; Svensson, Svante; Mårtensson, Nils; Björneholm, Olle

    2012-05-28

    The electronic structure of free aluminum clusters with ∼3-4 nm radius has been investigated using synchrotron radiation-based photoelectron and Auger electron spectroscopy. A beam of free clusters has been produced using a gas-aggregation source. The 2p core level and the valence band have been probed. Photoelectron energy-loss features corresponding to both bulk and surface plasmon excitation following photoionization of the 2p level have been observed, and the excitation energies have been derived. In contrast to some expectations, the loss features have been detected at energies very close to those of the macroscopic solid. The results are discussed from the point of view of metallic properties in nanoparticles with a finite number of constituent atoms.

  3. The electronic structure of free aluminum clusters: Metallicity and plasmons

    Science.gov (United States)

    Andersson, Tomas; Zhang, Chaofan; Tchaplyguine, Maxim; Svensson, Svante; Mârtensson, Nils; Björneholm, Olle

    2012-05-01

    The electronic structure of free aluminum clusters with ˜3-4 nm radius has been investigated using synchrotron radiation-based photoelectron and Auger electron spectroscopy. A beam of free clusters has been produced using a gas-aggregation source. The 2p core level and the valence band have been probed. Photoelectron energy-loss features corresponding to both bulk and surface plasmon excitation following photoionization of the 2p level have been observed, and the excitation energies have been derived. In contrast to some expectations, the loss features have been detected at energies very close to those of the macroscopic solid. The results are discussed from the point of view of metallic properties in nanoparticles with a finite number of constituent atoms.

  4. Stable High-Energy Density Super-Atom Clusters of Aluminum Hydride

    Institute of Scientific and Technical Information of China (English)

    Ke-yan Lian; Yuan-fei Jiang; De-hou Fei; Wei Feng; Ming-xing Jin; Da-jun Ding; Yi Luo

    2012-01-01

    With the concept of super-atom,first principles calculations propose a new type of super stable cage clusters AlnH3n that are much more energetic stable than the well established clusters,AlnHn+2.In the new clusters,the aluminum core-frame acts as a super-atom with n vertexes and 2n Al-Al edges,which allow to adsorb n hydrogen atoms at the top-site and 2n at the bridge-site.Using Al12H36 as the basic unit,stable chain structures,(Al12H36)m,have been constructed following the same connection mechanism as for (AlH3)n linear polymeric structures.Apart from high hydrogen percentage per molecule,calculations have shown that these new clusters possess large heat of formation values and their combustion heat is about 4.8 times of the methane,making them a promising high energy density material.

  5. In situ generation of hydrogen from water by aluminum corrosion in solutions of sodium aluminate

    OpenAIRE

    Soler Turu, Lluis; Candela Soto, Angélica Maria; Macanás de Benito, Jorge; Muñoz Tapia, Maria; Casado Giménez, Juan

    2009-01-01

    A new process to obtain hydrogen from water using aluminum in sodium aluminate solutions is described and compared with results obtained in aqueous sodium hydroxide. This process consumes only water and aluminum, which are raw materials much cheaper than other compounds used for in situ hydrogen generation, such as hydrocarbons and chemical hydrides, respectively. As a consequence, our process could be an economically feasible alternative for hydrogen to supply fuel cells. Results showed an i...

  6. Coupling a PEM fuel cell and the hydrogen generation from aluminum waste cans

    Energy Technology Data Exchange (ETDEWEB)

    Martinez, Susana Silva; Albanil Sanchez, Loyda; Alvarez Gallegos, Alberto A. [Centro de Investigacion en Ingenieria y Ciencias Aplicadas, Av. Universidad 1001, Col. Chamilpa, Cuernavaca, Mor. CP 62210 (Mexico); Sebastian, P.J. [Centro de Investigacion en Energia-UNAM, 62580 Temixco, Morelos (Mexico); Cuerpo Academico de Energia y Sustentabilidad, UPCH, Tuxtla Gutierrez, Chiapas (Mexico)

    2007-10-15

    High purity hydrogen was generated from the chemical reaction of aluminum and sodium hydroxide. The aluminum used in this study was obtained from empty soft drink cans and treated with concentrated sulfuric acid to remove the paint and plastic film. One gram of aluminum was reacted with a solution of 2moldm{sup -3} of sodium hydroxide to produce hydrogen. The hydrogen produced from aluminum cans and oxygen obtained from a proton exchange membrane electrolyzer or air, was fed to a proton exchange membrane (PEM) fuel cell to produce electricity. Yields of 44 mmol of hydrogen contained in a volume of 1.760dm{sup 3} were produced from one gram of aluminum in a time period of 20 min. (author)

  7. Influence of Elemental Iron on Hydrogen Content in Superheated Aluminum-iron Melts

    Institute of Scientific and Technical Information of China (English)

    HU Li-na; BIAN Xiu-fang; ANANDA Mahto; DUAN You-feng

    2004-01-01

    The hydrogen content in liquid binary aluminum alloys with 1,3,5 and 8 wt% iron has been determined in the temperature range from 973K to 1103K.The hydrogen content in molten Al-Fe alloys increases remarkably when the temperature of the melt rises to about 1053K.This work indicates that the alloying element iron plays an important role in hydrogen content in superheated Al-Fe alloy melts below about 1053K.The results make it clear that the hydrogen content in the melt aluminum reduces with the increasing element levels.A conclusion is drawn that the degree of gassing in molten Al-Fe alloys is bound up with the properties of oxide film of aluminum alloy melts.The element iron has no effect on the compact structure of oxide film in aluminum melts.The effects of alloying element are theoretically analyzed in terms of Wagner interaction parameter.According to the values of the first order interaction parameter,it is concluded that the interaction between iron atom and aluminum is much stronger than that between hydrogen atom and aluminum,and the addition of the alloying element decreases the affinity of liquid aluminum for hydrogen.

  8. Qijiang Plans to Build 50 Billion Yuan Industrial Cluster for Transport-use Aluminum

    Institute of Scientific and Technical Information of China (English)

    2015-01-01

    The reporter learned from the China International Transport-use Aluminum Forum2015 that 5 years later Qijiang District is expected to develop transport-use aluminum industrial cluster with annual output of 50billion yuan.According to statistics,last year 1 in every 9automobile OEM manufacturers nationwide

  9. Hydrogen absorption in solid aluminum during high-temperature steam oxidation

    Science.gov (United States)

    Andreev, L. A.; Gelman, B. G.; Zhukhovitskiy, A. A.

    1979-01-01

    Hydrogen is emitted by aluminum heated in a vacuum after high-temperature steam treatment. Wire samples are tested for this effect, showing dependence on surface area. Two different mechanisms of absorption are inferred, and reactions deduced.

  10. Research progress of hydrogen clusters and their applications

    International Nuclear Information System (INIS)

    As the most simplest and abundant molecule in the universe, neutral hydrogen clusters are research prototype for structures and dynamics of molecular clusters. Meanwhile, as the material of the laser fusion and tokamak fusion, hydrogen molecule clusters greatly impact the efficiency of fusion. In this paper, the main content focuses on the significance, contents and status in basic area, superfluid area, tokamak area and laser fusion area. (authors)

  11. Nanoscale microstructure effects on hydrogen behavior in rapidly solidified aluminum alloys

    Energy Technology Data Exchange (ETDEWEB)

    Tashlykova-Bushkevich, Iya I. [Belarusian State University of Informatics and Radioelectronics, Minsk (Belarus)

    2015-12-31

    The present work summarizes recent progress in the investigation of nanoscale microstructure effects on hydrogen behavior in rapidly solidified aluminum alloys foils produced at exceptionally high cooling rates. We focus here on the potential of modification of hydrogen desorption kinetics in respect to weak and strong trapping sites that could serve as hydrogen sinks in Al materials. It is shown that it is important to elucidate the surface microstructure of the Al alloy foils at the submicrometer scale because rapidly solidified microstructural features affect hydrogen trapping at nanostructured defects. We discuss the profound influence of solute atoms on hydrogen−lattice defect interactions in the alloys. with emphasis on role of vacancies in hydrogen evolution; both rapidly solidified pure Al and conventionally processed aluminum samples are considered.

  12. Precipitation hardening and hydrogen embrittlement of aluminum alloy AA7020

    Indian Academy of Sciences (India)

    Santosh Kumar; T K G Namboodhiri

    2011-04-01

    AA7020 Al–Mg–Zn, a medium strength aluminium alloy, is used in welded structures in military and aerospace applications. As it may be subjected to extremes of environmental exposures, including high pressure liquid hydrogen, it could suffer hydrogen embrittlement. Hydrogen susceptibility of alloy AA7020 was evaluated by slow strain-rate tensile testing, and delayed failure testing of hydrogen-charged specimens of air-cooled, duplexaged, and water-quenched duplex agedmaterials. The resistance to hydrogen embrittlement of the alloy was found to be in the order of air-cooled duplex aged alloy > as-received (T6 condition) > water quenched duplex aged material.

  13. EU Policies and Cluster Development of Hydrogen Communities

    OpenAIRE

    Bleischwitz, Raimund; Bader, Nikolas; Dannemand, Per; Nygaard, Anne

    2008-01-01

    This study takes on the issue of political and socio-economic conditions for the hydrogen economy as part of a future low carbon society in Europe. It is subdivided into two parts. A first part reviews the current EU policy framework in view of its impact on hydrogen and fuel cell development. In the second part an analysis of the regional dynamics and possible hydrogen and fuel cell clusters is carried out. The current EU policy framework does not hinder hydrogen development. Yet it does not...

  14. The effect of hydrogen embrittlement on the localized plastic deformation of aluminum alloy

    Energy Technology Data Exchange (ETDEWEB)

    Bochkareva, Anna, E-mail: avb@ispms.tsc.ru; Lunev, Aleksey, E-mail: agl@ispms.tsc.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); National Research Tomsk Polytechnic University, Tomsk, 634050 (Russian Federation); Barannikova, Svetlana, E-mail: bsa@ispms.tsc.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); National Research Tomsk State University, Tomsk, 634050 (Russian Federation); Tomsk State University of Architecture and Building, Tomsk, 634003 (Russian Federation); Gorbatenko, Vadim, E-mail: gvv@ispms.tsc.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); Shlyakhova, Galina, E-mail: shgv@ispms.tsc.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); Seversk State Technological Institute (National Research Nuclear University MEPhI), Seversk, 636036 (Russian Federation); Zuev, Lev, E-mail: lbz@ispms.tsc.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); National Research Tomsk State University, Tomsk, 634050 (Russian Federation)

    2015-10-27

    The effect of hydrogen embrittlement on the localized plastic deformation of aluminum alloy D1 was investigated. The studies were performed for the test samples of aluminum alloy subjected to electrolytic hydrogenation. It is found that the mechanical properties and localized plastic deformation parameters of aluminum alloy are affected adversely by hydrogen embrittlement. The hydrogenated counterpart of alloy has a lower degree of ductility relative to the original alloy; however, the plastic flow behavior of material remains virtually unaffected. Using scanning electron and atomic force microscopy methods, the changes in the fracture surface were investigated. The deformation diagrams were examined for the deformed samples of aluminum alloy. These are found to show all the plastic flow stages: the linear, parabolic and pre-failure stages would occur for the respective values of the exponent n from the Ludwik-Holomon equation. Using digital speckle image technique, the local strain patterns were being registered for the original alloy D1 and the counterpart subjected to electrolytic hydrogenation for 100 h.

  15. New nanomaterials for hydrogen storage. A new class of aluminum hydrides; Neue Nanomaterialien zur Wasserstoffspeicherung. Eine neue Klasse von Aluminiumhydriden

    Energy Technology Data Exchange (ETDEWEB)

    Cordes, Joern

    2009-02-13

    In this work, Aluminum was vaporized in a PACIS cluster source, while molecular Hydrogen was also provided, thus producing Aluminum hydride clusters. These clusters were mass selected and investigated via Photoelectron Spectroscopy with anions in order to determine their electronic structure. In a cooperation with Puru Jena et al. at the Virginia Commonwealth University, electronic and geometric structures of the clusters were also calculated using Density Functional Theory. A group of clusters, specifically Al{sub 4}H{sub 4}, Al{sub 4}H{sub 6} and a series of clusters Al{sub n}H{sub n+2} (5 {<=} n {<=} 8) showed large HOMO-LUMO-Gaps and relatively small adiabatic electron affinities, hinting towards an increased stability of these clusters. The resemblance of the structures of already known and stable Boranes (BnHm) led to investigations whether ''Wade's Rules'' could also be applied to the new Alanes Al{sub n}H{sub m}. Comparison of the experimentally found values for the HOMO-LUMO-Gap, Adiabatic electron Affinity and Vertical Detachment Energy with the calculated values led to geometric structures of the ground states that, in case of the clusters Al{sub n}H{sub n+2} (5 {<=} n {<=} 8) follow Wade's (n+1) rule: They adopt hollow, cage-like closo-structures with one terminal Hydrogen atom per Aluminum atom and two additional Hydrogen atoms on bridge-sites. The clusters Al{sub 4}H{sub 4} and Al{sub 4}H{sub 6} have tetrahedron-shaped structures. While Al{sub 4}H{sub 4} is a perfect tetrahedron, Al{sub 4}H{sub 6} adopts a slightly distorted tetrahedral geometry with D{sub 2d} symmetry and two Hydrogen atoms on bridge sites. Furthermore, Al{sub 4}H{sub 6} showed the biggest HOMO-LUMO-Gap of all investigated clusters with a value of 1.9 {+-} 0.1 eV. These findings seem to contradict Wade's (n+1) rule, but can be understood in terms of the Polyhedral Skeletal Electron Pair Theory (PSEPT). The molecular orbitals predicted by the PSEPT

  16. Study on improving the lowest limit for determination of hydrogen in aluminum

    International Nuclear Information System (INIS)

    The purpose of this experiment was to improve the limit of determination of hydrogen in aluminum. As variation of surface gases on samples affected the limit of determination in an usual analytical method (a method of determing internal hydrogen by correcting surface hydrogen), a way of removing surface gases by discharge cleaning prior to analysis was studied in the present work. The results were as follows; 1) Aluminum surface gases consisted of mainly H2, H2O, CO, and CO2. In those gases, H2 and CO were remarkably detected. 2) Those surface gases could be removed by He discharge cleaning. CO as surface gas was 1 x 10-5 torr.l (3.5 x 1013 molec./cm2) after discharge cleaning, and was about 1 x 10-3 torr.l (3.5 x 1015 molec./cm2) with no discharge cleaning. 3) Analyzing aluminum sample which contained internal hydrogen of 0.11 cc/100 g Al after discharge cleaning, all internal hydrogen measured by an usual analytical method. Improvement of the limit of determination of internal hydrogen by discharge cleaning is considered to be possible. (author)

  17. Influence of hydrogen content on the behavior of grain refinement in hypereutectic aluminum-silicon alloy

    Institute of Scientific and Technical Information of China (English)

    Lina Hu; Xiufang Bian; Youfeng Duan

    2004-01-01

    Dissolved hydrogen is harmful to mechanical properties of refined hypereutectic aluminum-silicon alloys. In the present work, by using a stepped-form mold and the hydrogen-detecting instrument HYSCAN Ⅱ, the relationship between the initial hydrogen content in the melt and the refinement effect on the casting of hypereutectic aluminum-silicon alloy was investigated. The experimental results show that the cooling rate, the hydrogen content and the grain refinement effect are three interactive factors. When the hydrogen content is above 0.20 mL/100 g and the cooling rate is lower than that in 50 mm-thick step, hydrogen dissolved in the alloy melt influences the grain refinement effect. With increasing the cooling rate, the critical hydrogen content increases too. It is expected that much hydrogen in the melt make the net interfacial energy larger than or equal to zero, resulting in the shielding of the particles AlP during solidification and that the critical gas content is closely related to the critical radius of embryo bubbles.

  18. Aluminum hydride as a hydrogen and energy storage material: Past, present and future

    International Nuclear Information System (INIS)

    Aluminum hydride (AlH3) and its associated compounds make up a fascinating class of materials that have motivated considerable scientific and technological research over the past 50 years. Due primarily to its high energy density, AlH3 has become a promising hydrogen and energy storage material that has been used (or proposed for use) as a rocket fuel, explosive, reducing agent and as a hydrogen source for portable fuel cells. This review covers the past, present and future research on aluminum hydride and includes the latest research developments on the synthesis of α-AlH3 and the other polymorphs (e.g., microcrystallization reaction, batch and continuous methods), crystallographic structures, thermodynamics and kinetics (e.g., as a function of crystallite size, catalysts and surface coatings), high-pressure hydrogenation experiments and possible regeneration routes.

  19. Influence of element Cu on hydrogen content in superheated aluminum melt

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The hydrogen content in molten Al-Cu alloy increases remarkably when the temperature of the melt rises to about 780  ℃. The effects of alloying element are theoretically analyzed in terms of Wagner interaction parameter. Furthermore, analyses indicate that the alloy element Cu plays an important role in the hydrogen content in superheated Al-Cu alloy melt below about 780  ℃. The conclusion is drawn that the degree of gassing in molten Al-Cu alloy is bound up with the properties of oxide film of Al alloy melts. The results make it clear that the hydrogen content in the molten aluminum reduces with increasing element Cu dissolved in aluminum melts at the same temperature.

  20. Two step novel hydrogen system using additives to enhance hydrogen release from the hydrolysis of alane and activated aluminum

    Science.gov (United States)

    Zidan, Ragaiy; Teprovich, Joseph A.; Motyka, Theodore

    2015-12-01

    A system for the generation of hydrogen for use in portable power systems is set forth utilizing a two-step process that involves the thermal decomposition of AlH.sub.3 (10 wt % H.sub.2) followed by the hydrolysis of the activated aluminum (Al*) byproduct to release additional H.sub.2. Additionally, a process in which water is added directly without prior history to the AlH.sub.3:PA composite is also disclosed.

  1. Hydrogen absorption line profiles of ionizing star clusters

    OpenAIRE

    Angeles I. Díaz

    1988-01-01

    This is an electronic version of an article published in Monthly Notices of the Royal Astronomical Society. Díaz, A.I. Hydrogen absorption line profiles of ionizing star clusters. Monthly Notices of the Royal Astronomical Society 231 (1988): 57-67 and Microfiche MN 231/1

  2. Interaction of hydrogen with palladium clusters deposited on graphene

    International Nuclear Information System (INIS)

    Hydrogen adsorption on nanoporous carbon materials is a promising technology for hydrogen storage. However, pure carbon materials do not meet the technological requirements due to the week binding of hydrogen to the pore walls. Experimental work has shown that doping with Pd atoms and clusters enhances the storage capacity of porous carbons. Therefore, we have investigated the role played by the Pd dopant on the enhancement mechanisms. By performing density functional calculations, we have found that hydrogen adsorbs on Pd clusters deposited on graphene following two channels, molecular adsorption and dissociative chemisorption. However, desorption of Pd-H complexes competes with desorption of hydrogen, and consequently desorption of Pd-H complexes would spoil the beneficial effect of the dopant. As a way to overcome this difficulty, Pd atoms and clusters can be anchored to defects of the graphene layer, like graphene vacancies. The competition between molecular adsorption and dissociative chemisorption of H2 on Pd6 anchored on a graphene vacancy has been studied in detail

  3. Interaction of hydrogen with palladium clusters deposited on graphene

    Energy Technology Data Exchange (ETDEWEB)

    Alonso, Julio A.; Granja, Alejandra; Cabria, Iván; López, María J. [Departamento de Física Teórica, Atómica y Optica, Universidad de Valladolid, 47011 Valladolid (Spain)

    2015-12-31

    Hydrogen adsorption on nanoporous carbon materials is a promising technology for hydrogen storage. However, pure carbon materials do not meet the technological requirements due to the week binding of hydrogen to the pore walls. Experimental work has shown that doping with Pd atoms and clusters enhances the storage capacity of porous carbons. Therefore, we have investigated the role played by the Pd dopant on the enhancement mechanisms. By performing density functional calculations, we have found that hydrogen adsorbs on Pd clusters deposited on graphene following two channels, molecular adsorption and dissociative chemisorption. However, desorption of Pd-H complexes competes with desorption of hydrogen, and consequently desorption of Pd-H complexes would spoil the beneficial effect of the dopant. As a way to overcome this difficulty, Pd atoms and clusters can be anchored to defects of the graphene layer, like graphene vacancies. The competition between molecular adsorption and dissociative chemisorption of H{sub 2} on Pd{sub 6} anchored on a graphene vacancy has been studied in detail.

  4. A Density Functional Study of Bare and Hydrogenated Platinum Clusters

    CERN Document Server

    Sebetci, A

    2006-01-01

    We perform density functional theory calculations using Gaussian atomic-orbital methods within the generalized gradient approximation for the exchange and correlation to study the interactions in the bare and hydrogenated platinum clusters. The minimum-energy structures, binding energies, relative stabilities, vibrational frequencies and the highest occupied and lowest unoccupied molecular-orbital gaps of Pt_nH_m (n=1-5, m=0-2) clusters are calculated and compared with previously studied pure platinum and hydrogenated platinum clusters. We investigate any magic behavior in hydrogenated platinum clusters and find that Pt_4H_2 is more stable than its neighboring sizes. Our results do not agree with a previous conclusion that 3D geometries of Pt tetramer and pentamer are unfavored. On the contrary, the lowest energy structure of Pt_4 is found to be a distorted tetrahedron and that of Pt_5 is found to be a bridge site capped tetrahedron which is a new global minimum for Pt_5 cluster. The successive addition of H ...

  5. Electrocoagulation of palm oil mill effluent as wastewater treatment and hydrogen production using electrode aluminum.

    Science.gov (United States)

    Nasution, M Ansori; Yaakob, Z; Ali, Ehsan; Tasirin, S M; Abdullah, S R S

    2011-01-01

    Palm oil mill effluent (POME) is highly polluting wastewater generated from the palm oil milling process. Palm oil mill effluent was used as an electrolyte without any additive or pretreatment to perform electrocoagulation (EC) using electricity (direct current) ranging from 2 to 4 volts in the presence of aluminum electrodes with a reactor volume of 20 L. The production of hydrogen gas, removal of chemical oxygen demand (COD), and turbidity as a result of electrocoagulation of POME were determined. The results show that EC can reduce the COD and turbidity of POME by 57 and 62%, respectively, in addition to the 42% hydrogen production. Hydrogen production was also helpful to remove the lighter suspended solids toward the surface. The production of Al(OH)XHO at the aluminum electrode (anode) was responsible for the flocculation-coagulation process of suspended solids followed by sedimentation under gravity. The production of hydrogen gas from POME during EC was also compared with hydrogen gas production by electrolysis of tap water at pH 4 and tap water without pH adjustment under the same conditions. The main advantage of this study is to produce hydrogen gas while treating POME with EC to reduce COD and turbidity effectively. PMID:21712603

  6. Revealing the multi-bonding state between hydrogen and graphene-supported Ti clusters

    CERN Document Server

    Takahashi, Keisuke; Omori, Kengo; Mashoff, Torge; Convertino, Domenica; Miseikis, Vaidotas; Coletti, Camilla; Tozzini, Valentina; Heun, Stefan

    2016-01-01

    Hydrogen adsorption on graphene-supported metal clusters has brought much controversy due to the complex nature of the bonding between hydrogen and metal clusters. The bond types of hydrogen and graphene-supported Ti clusters are experimentally and theoretically investigated. Transmission electron microscopy shows that Ti clusters of nanometer-size are formed on graphene. Thermal desorption spectroscopy captures three hydrogen desorption peaks from hydrogenated graphene-supported Ti clusters. First principle calculations also found three types of interaction: Two types of bonds with different partial ionic character and physisorption. The physical origin for this rests on the charge state of the Ti clusters: when Ti clusters are neutral, H2 is dissociated, and H forms bonds with the Ti cluster. On the other hand, H2 is adsorbed in molecular form on positively charged Ti clusters, resulting in physisorption. Thus, this work clarifies the bonding mechanisms of hydrogen on graphene-supported Ti clusters.

  7. Remarkable Hydrogen Storage on Beryllium Oxide Clusters: First Principles Calculations

    CERN Document Server

    Shinde, Ravindra

    2016-01-01

    Since the current transportation sector is the largest consumer of oil, and subsequently responsible for major air pollutants, it is inevitable to use alternative renewable sources of energies for vehicular applications. The hydrogen energy seems to be a promising candidate. To explore the possibility of achieving a solid-state high-capacity storage of hydrogen for onboard applications, we have performed first principles density functional theoretical calculations of hydrogen storage properties of beryllium oxide clusters (BeO)$_{n}$ (n=2 -- 8). We observed that polar BeO bond is responsible for H$_{2}$ adsorption. The problem of cohesion of beryllium atoms does not arise, as they are an integral part of BeO clusters. The (BeO)$_{n}$ (n=2 -- 8) adsorbs 8--12 H$_{2}$ molecules with an adsorption energy in the desirable range of reversible hydrogen storage. The gravimetric density of H$_{2}$ adsorbed on BeO clusters meets the ultimate 7.5 wt% limit, recommended for onboard practical applications. In conclusion,...

  8. Hydrogen Storage Materials Based on Single-Layer Aluminum Nitride Nanostructures

    Institute of Scientific and Technical Information of China (English)

    WANG Yu-Sheng; YUAN Peng-Fei; LI Meng; SUN Qiang; JIA Yu

    2011-01-01

    Using the first-principles method based on density functional theory, we study the hydrogen storage properties of Li-doped single-layer aluminum nitride nanostructures (A1N). For the pristine A1N sheet, each Al atom adsorbs one H2 with an average binding energy of 0.14eV/H2. The hydrogen binding energies and storage capacities can be markedly increased by doping Li atoms onto the A1N sheet. The charge analysis shows that there are charges transferring from the Li atoms to the A1N sheet, thus the charged Li atoms can polarize hydrogen molecules and enhance the interaction between hydrogen molecules and the A1N sheet. In the fully loaded cases, the Li-doped A1N sheet can contain up to 8.25wt% of molecular hydrogen with an average binding energy of 0.20eV/H2.%Using the first-principles method based on density functional theory,we study the hydrogen storage properties of Li-doped single-layer aluminum nitride nanostructures (AlN).For the pristine AlN sheet,each Al atom adsorbs one H2 with an average binding energy of 0.14 eV/H2.The hydrogen binding energies and storage capacities can be markedly increased by doping Li atoms onto the AlN sheet.The charge analysis shows that there are charges transferring from the Li atoms to the AlN sheet,thus the charged Li atoms can polarize hydrogen molecules and enhance the interaction between hydrogen molecules and the AlN sheet.In the fully loaded cases,the Li-doped AlN sheet can contain up to 8.25wt% of molecular hydrogen with an average binding energy of 0.20eV/H2.Hydrogen has long been considered as a carbondioxide-free energy carrier of the future.[1-3] One of the primary barriers preventing the large-scale use of hydrogen is the lack of an economic,effective and safe hydrogen storage medium.To achieve eventual economic feasibility,the materials should store hydrogen with large gravimetric and volumetric densities and operate under ambient thermodynamic conditions.[4]To meet these criteria,hydrogen storage media should only

  9. Model study in chemisorption: atomic hydrogen on beryllium clusters

    Energy Technology Data Exchange (ETDEWEB)

    Bauschlicher, C.W. Jr.

    1976-08-01

    The interaction between atomic hydrogen and the (0001) surface of Be metal has been studied by ab initio electronic structure theory. Self-consistent-field (SCF) calculations have been performed using minimum, optimized minimum, double zeta and mixed basis sets for clusters as large as 22 Be atoms. The binding energy and equilibrium geometry (the distance to the surface) were determined for 4 sites. Both spatially restricted (the wavefunction was constrained to transform as one of the irreducible representations of the molecular point group) and unrestricted SCF calculations were performed. Using only the optimized minimum basis set, clusters containing as many as 22 beryllium atoms have been investigated. From a variety of considerations, this cluster is seen to be nearly converged within the model used, providing the most reliable results for chemisorption. The site dependence of the frequency is shown to be a geometrical effect depending on the number and angle of the bonds. The diffusion of atomic hydrogen through a perfect beryllium crystal is predicted to be energetically unfavorable. The cohesive energy, the ionization energy and the singlet-triplet separation were computed for the clusters without hydrogen. These quantities can be seen as a measure of the total amount of edge effects. The chemisorptive properties are not related to the total amount of edge effects, but rather the edge effects felt by the adsorbate bonding berylliums. This lack of correlation with the total edge effects illustrates the local nature of the bonding, further strengthening the cluster model for chemisorption. A detailed discussion of the bonding and electronic structure is included. The remaining edge effects for the Be/sub 22/ cluster are discussed.

  10. In situ generation of hydrogen from water by aluminum corrosion in solutions of sodium aluminate

    Energy Technology Data Exchange (ETDEWEB)

    Soler, Lluis; Candela, Angelica Maria; Munoz, Maria; Casado, Juan [Centre Grup de Tecniques de Separacio en Quimica (GTS), Unitat de Quimica Analitica, Departament de Quimica, Universitat Autonoma de Barcelona, Campus UAB s/n, 08193 Bellaterra, Barcelona, Catalonia (Spain); Macanas, Jorge [Laboratoire de Genie Chimique, UMR 5503 CNRS-INPT-UPS, Universite de Toulouse, Toulouse (France)

    2009-07-01

    A new process to obtain hydrogen from water using aluminum in sodium aluminate solutions is described and compared with results obtained in aqueous sodium hydroxide. This process consumes only water and aluminum, which are raw materials much cheaper than other compounds used for in situ hydrogen generation, such as hydrocarbons and chemical hydrides, respectively. As a consequence, our process could be an economically feasible alternative for hydrogen to supply fuel cells. Results showed an improvement of the maximum rates and yields of hydrogen production when NaAlO{sub 2} was used instead of NaOH in aqueous solutions. Yields of 100% have been reached using NaAlO{sub 2} concentrations higher than 0.65 M and first order kinetics at concentrations below 0.75 M has been confirmed. Two different heterogeneous kinetic models are verified for NaAlO{sub 2} aqueous solutions. The activation energy (E{sub a}) of the process with NaAlO{sub 2} is 71 kJ mol{sup -1}, confirming a control by a chemical step. A mechanism unifying the behavior of Al corrosion in NaOH and NaAlO{sub 2} solutions is presented. The application of this process could reduce costs in power sources based on fuel cells that nowadays use hydrides as raw material for hydrogen production. (author)

  11. Chemical Hydrogen Storage Using Polyhedral Borane Anions and Aluminum-Ammonia-Borane Complexes

    Energy Technology Data Exchange (ETDEWEB)

    Hawthorne, M. Frederick; Jalisatgi, Satish S.; Safronov, Alexander V.; Lee, Han Beak; Wu, Jianguo

    2010-10-01

    Phase 1. Hydrolysis of borohydride compounds offer the potential for significant hydrogen storage capacity, but most work to date has focused on one particular anion, BH4-, which requires high pH for stability. Other borohydride compounds, in particular polyhedral borane anions offer comparable hydrogen storage capacity without requiring high pH media and their long term thermal and hydrolytic stability coupled with non-toxic nature make them a very attractive alternative to NaBH4. The University of Missouri project provided the overall program focal point for the investigation of catalytic hydrolysis of polyhedral borane anions for hydrogen release. Due to their inherent stability, a transition metal catalyst was necessary for the hydrolysis of polyhedral borane anions. Transition metal ions such as cobalt, nickel, palladium and rhodium were investigated for their catalytic activity in the hydrolysis of nido-KB11H14, closo-K2B10H10, and closo-K2B12H12. The rate of hydrolysis follows first-order kinetics with respect to the concentration of the polyhedral borane anion and surface area of the rhodium catalyst. The rate of hydrolysis depends upon a) choice of polyhedral borane anion, c) concentration of polyhedral borane anion, d) surface area of the rhodium catalyst and e) temperature of the reaction. In all cases the yield of hydrogen was 100% which corresponds to ~7 wt% of hydrogen (based on material wt%). Phase 2. The phase 2 of program at the University of Missouri was focused upon developing aluminum ammonia-boranes (Al-AB) as chemical hydrogen storage materials, specifically their synthesis and studies of their dehydrogenation. The ammonia borane molecule (AB) is a demonstrated source of chemically stored hydrogen (19.6 wt%) which meets DOE performance parameters except for its regeneration from spent AB and elemental hydrogen. The presence of an aluminum center bonded to multiple AB residues might combine the efficiency of AB dehydrogenation with an aluminum

  12. Electronic stress tensor analysis of hydrogenated palladium clusters

    CERN Document Server

    Ichikawa, Kazuhide; Szarek, Pawel; Zhou, Chenggang; Cheng, Hansong; Tachibana, Akitomo

    2011-01-01

    We study the chemical bonds of small palladium clusters Pd_n (n=2-9) saturated by hydrogen atoms using electronic stress tensor. Our calculation includes bond orders which are recently proposed based on the stress tensor. It is shown that our bond orders can classify the different types of chemical bonds in those clusters. In particular, we discuss Pd-H bonds associated with the H atoms with high coordination numbers and the difference of H-H bonds in the different Pd clusters from viewpoint of the electronic stress tensor. The notion of "pseudo-spindle structure" is proposed as the region between two atoms where the largest eigenvalue of the electronic stress tensor is negative and corresponding eigenvectors forming a pattern which connects them.

  13. Excited electronic state decomposition mechanisms of clusters of dimethylnitramine and aluminum

    Indian Academy of Sciences (India)

    Anupam Bera; Atanu Bhattacharya

    2015-01-01

    In this report, electronically non-adiabatic decomposition pathways of clusters of dimethylnitramine and aluminum (DMNA-Al and DMNA-Al2) are discussed in comparison to isolated dimethylnitramine (DMNA). Electronically excited state processes of DMNA-Al and DMNA-Al2 are explored using the complete active space self-consistent field (CASSCF) and the restricted active space self-consistent field (RASSCF) theories, respectively. Similar to the nitro-nitrite isomerization reaction pathway of DMNA, DMNA-Al clusters also exhibit isomerization pathway. However, it involves several other steps, such as, first Al-O bond dissociation, then N-N bond dissociation followed by isomerization and finally NO elimination. Furthermore, DMNA-Al clusters exhibit overall exothermic decomposition reaction pathway and isolated DMNA shows overall endothermic reaction channel.

  14. Infrared Spectroscopy of Hydrogen-Bonded Clusters of Protonated Histidine

    Science.gov (United States)

    Kondo, Makoto; Kasahara, Yasutoshi; Ishikawa, Haruki

    2015-06-01

    Histidine(His), one of the essential amino acids, is involved in active sites in many enzyme proteins, and known to play fundamental roles in human body. Thus, to gain detailed information about intermolecular interactions of His as well as its structure is very important. In the present study, we have recorded IR spectra of hydrogen-bonded clusters of protonated His (HisH^+) in the gas phase to discuss the relation between the molecular structure and intermolecular interaction of HisH^+. Clusters of HisH^+-(MeOH)_n (n = 1, 2) were generated by an electrospray ionization of the MeOH solution of L-His hydrochloride monohydrate. IR photodissociation spectra of HisH^+-(MeOH)1,2 were recorded. By comparing with the results of the DFT calculations, we determined the structures of these clusters. In the case of n = 1 cluster, MeOH is bonded to the imidazole ring as a proton acceptor. The most of vibrational bands observed were well explained by this isomer. However, a free NH stretch band of the imidazole ring was also observed in the spectrum. This indicates an existence of an isomer in which MeOH is bounded to the carboxyl group of HisH^+. Furthermore, it is found that a protonated position of His is influenced by a hydrogen bonding position of MeOH. In the case of n = 2 cluster, one MeOH molecule is bonded to the amino group, while the other MeOH molecule is separately bonded to the carboxyl group in the most stable isomer. However, there is a possibility that other conformers also exist in our experimental condition. The details of the experimental and theoretical results will be presented in the paper.

  15. Orientationally ordered ridge structures of aluminum films on hydrogen terminated silicon

    DEFF Research Database (Denmark)

    Quaade, Ulrich; Pantleon, Karen

    2006-01-01

    > directions on the silicon substrate. The ridge structure appears when the film thickness is above 500 nm, and increasing the film thickness makes the structure more distinct. Anodic oxidation enhances the structure even further. X-ray diffraction indicates that grains in the film have mostly (110) facets......Films of aluminum deposited onto Si(100) substrates show a surface structure of parallel ridges. On films deposited on oxidized silicon substrates the direction of the ridges is arbitrary, but on films deposited on hydrogen-terminated Si(100) the ridges are oriented parallel to the < 110...

  16. Large-scale first principles configuration interaction calculations of optical absorption in aluminum clusters.

    Science.gov (United States)

    Shinde, Ravindra; Shukla, Alok

    2014-10-14

    We report the linear optical absorption spectra of aluminum clusters Aln (n = 2-5) involving valence transitions, computed using the large-scale all-electron configuration interaction (CI) methodology. Several low-lying isomers of each cluster were considered, and their geometries were optimized at the coupled-cluster singles-doubles (CCSD) level of theory. With these optimized ground-state geometries, excited states of different clusters were computed using the multi-reference singles-doubles configuration-interaction (MRSDCI) approach, which includes electron correlation effects at a sophisticated level. These CI wave functions were used to compute the transition dipole matrix elements connecting the ground and various excited states of different clusters, and thus their photoabsorption spectra. The convergence of our results with respect to the basis sets, and the size of the CI expansion, was carefully examined. Our results were found to be significantly different as compared to those obtained using time-dependent density functional theory (TDDFT) [Deshpande et al. Phys. Rev. B: Condens. Matter Mater. Phys., 2003, 68, 035428]. When compared to the available experimental data for the isomers of Al2 and Al3, our results are in very good agreement as far as important peak positions are concerned. The contribution of configurations to many body wave functions of various excited states suggests that in most cases optical excitations involved are collective, and plasmonic in nature. PMID:25162600

  17. Molecular dynamics simulations of cluster distribution from femtosecond laser ablation in aluminum

    Energy Technology Data Exchange (ETDEWEB)

    Sonntag, S.; Trichet Paredes, C.; Roth, J.; Trebin, H.R. [University of Stuttgart, Institute for Theoretical and Applied Physics, Stuttgart (Germany)

    2011-08-15

    Femtosecond laser ablation and plume evolution of aluminum is investigated for various inhomogeneous laser pulses. For the simulations of the atoms the molecular dynamics code IMD is used. The ablated gas-phase is scanned by a cluster algorithm (DBSCAN), from which we gain a cluster size distribution of the ablated material. Per single pulse, only a small portion of the total volume evaporates into the gas phase. Therefore - to have reasonable statistics - we have to deal with huge samples (6 x 10{sup 7} atoms). The ablation threshold is determined by comparing the depth of the holes to the applied fluence. Angular and velocity distributions of the plume are compared to experiments. (orig.)

  18. Enhanced conductivity of aluminum doped ZnO films by hydrogen plasma treatment

    Energy Technology Data Exchange (ETDEWEB)

    Chang, H.P. [Department of Electrical Engineering and Graduate Institute of Optoelectronic Engineering, National Chung Hsing University, Taichung 402, Taiwan (China); Wang, F.H., E-mail: fansen@dragon.nchu.edu.t [Department of Electrical Engineering and Graduate Institute of Optoelectronic Engineering, National Chung Hsing University, Taichung 402, Taiwan (China); Wu, J.Y.; Kung, C.Y.; Liu, H.W. [Department of Electrical Engineering and Graduate Institute of Optoelectronic Engineering, National Chung Hsing University, Taichung 402, Taiwan (China)

    2010-10-01

    Aluminum doped zinc oxide (AZO) thin films prepared by radio-frequency (RF) magnetron sputtering at various RF power were treated by hydrogen plasma to enhance the characteristics for transparent electrode applications. The hydrogen plasma treatment was carried out at 300 {sup o}C in a plasma enhanced chemical vapor deposition system. X-ray diffraction analysis shows that all AZO films have a (002) preferred orientation and film crystallinity seems no significant change after plasma treatment. The plasma treatment not only significantly decreases film resistivity but enhances electrical stability as aging in air ambient. The improved electrical properties are due to desorption of weakly bonded oxygen species, formation of Zn-H type species and passivation of deep-level defects during plasma treatment.

  19. Electron impact ionisation cross sections of iron hydrogen clusters

    Science.gov (United States)

    Huber, Stefan E.; Sukuba, Ivan; Urban, Jan; Limtrakul, Jumras; Probst, Michael

    2016-09-01

    We computed electron impact ionisation cross sections (EICSs) of iron hydrogen clusters, FeHn with n = 1,2,...,10, from the ionisation threshold to 10 keV using the Deutsch-Märk (DM) and the binary-encounter-Bethe (BEB) formalisms. The maxima of the cross sections for the iron hydrogen clusters range from 6.13 × 10-16 cm2 at 60 eV to 8.76 × 10-16 cm2 at 76 eV for BEB-AE (BEB method based on quantum-chemical data from all-electron basis sets) calculations, from 4.15 × 10-16 cm2 at 77 eV to 7.61 × 10-16 cm2 at 80 eV for BEB-ECP (BEB method based on quantum-chemical data from effective-core potentials for inner-core electrons) calculations and from 2.49 × 10-16 cm2 at 43.5 eV to 7.04 × 10-16 cm2 at 51 eV for the DM method. Cross sections calculated via the BEB method are substantially higher than the ones obtained via the DM method, up to a factor of about two for FeH and FeH2. The formation of Fe-H bonds depopulates the iron 4s orbital, causing significantly lower cross sections for the small iron hydrides compared to atomic iron. Both the DM and BEB cross sections can be fitted perfectly against a simple expression used in modelling and simulation codes in the framework of nuclear fusion research. The energetics of the iron hydrogen clusters change substantially when exact exchange is present in the density functional, while the cluster geometries do not depend on this choice. Supplementary material in the form of one pdf file available from the Journal web page athttp://dx.doi.org/10.1140/epjd/e2016-70292-4

  20. Ab initio search for global minimum structures of neutral and anionic hydrogenated Li5 clusters

    International Nuclear Information System (INIS)

    Highlights: • Stochastic search method is used to obtain global minimum of hydrogenated clusters. • The anionic hydrogenated Li5 clusters are firstly studied. • The fragmentation channels and energies of H atom and H2 dimer are investigated. • In hydrogenated Li5 clusters are easier to fragmentation the H2 dimer than H atom. • Li5Hn clusters is too high for the reversible hydrogen storage systems. - Abstract: The structure and some electronic properties of neutral and anionic Li5Hn (n = 0–6) clusters have been studied by using the stochastic search method with the B3LYP/6-31G level of theory. After searching possible isomers, first few isomers with the lowest energy have been recalculated by the B3LYP/6-311G++(2d,2p) and CCSD(T)/6-311G++(2d,2p) level of theory. The method used in this study has been compared with the previously reported ab initio calculations, and its reliability has been confirmed. The anionic Li5Hn (n = 0–6) clusters are reported in this study for the first time. Our results show that in general, stability increases with increasing number of hydrogen atoms. The fragmentation energies of hydrogenated Li5 clusters are easier to fragmentation the two hydrogen atoms than one hydrogen atom in hydrogenated clusters, and it is too high for the reversible hydrogen storage systems

  1. Chemisorption of O and H on an Al-13 cluster

    Science.gov (United States)

    Patridge, H.; Bauschlicher, C. W., Jr.

    1986-01-01

    Chemisorption of oxygen and hydrogen atoms onto a 13 atom aluminum cluster is investigated theoretically. Oxygen atoms are found to remain on the outside of the cluster, and at low coverage, to expand the Al-Al bond length by 0.42 bohr. Hydrogen atoms penetrate into the cluster resulting in a sizeable, 0.57 bohr expansion at high coverage. The difference between chemisorption on aluminum and beryllium clusters is discussed.

  2. Pahs, Ionized Gas, and Molecular Hydrogen in Brightest Cluster Galaxies of Cool Core Clusters of Galaxies

    CERN Document Server

    Donahue, Megan; O'Connell, Robert W; Voit, G Mark; Hoffer, Aaron; McNamara, Brian R; Nulsen, Paul E J

    2011-01-01

    We present measurements of 5-25 {\\mu}m emission features of brightest cluster galaxies (BCGs) with strong optical emission lines in a sample of 9 cool-core clusters of galaxies observed with the Infrared Spectrograph on board the Spitzer Space Telescope. These systems provide a view of dusty molecular gas and star formation, surrounded by dense, X-ray emitting intracluster gas. Past work has shown that BCGs in cool-core clusters may host powerful radio sources, luminous optical emission line systems, and excess UV, while BCGs in other clusters never show this activity. In this sample, we detect polycyclic aromatic hydrocarbons (PAHs), extremely luminous, rotationally-excited molecular hydrogen line emission, forbidden line emission from ionized gas ([Ne II] and [Ne III]), and infrared continuum emission from warm dust and cool stars. We show here that these BCGs exhibit more luminous forbidden neon and H2 rotational line emission than star-forming galaxies with similar total infrared luminosities, as well as ...

  3. 纳米铝簇配合物研究进展%Progress of Research on Nano Aluminum Cluster Complexes

    Institute of Scientific and Technical Information of China (English)

    毕研刚; 邱少君; 赵凤起; 周遵宁; 杨利; 张同来; 张建国

    2012-01-01

    Metalloid and the classifications of clusters were elaborated. Differences between the synthesis methods of aluminum cluster complexes with the traditional synthesis of nanometer aluminum powder were also compared. The research progresses of nano aluminum cluster complexes were summarized. The great application perspective in the areas of solid rocket propellant, heat conduction and superconducting materials and energetic materials of nano aluminum cluster complexes was pointed out.%介绍了“非金属簇”的概念及簇合物的分类,比较了纳米铝簇配合物合成方法与传统合成纳米铝粉的方法不同之处,总结了国内外纳米铝簇配合物合成的主要进展,指出了纳米铝簇配合物在含能材料、固体火箭推进剂、热传导和超导材料等多个方面的应用前景.

  4. Atomic layer deposition of aluminum sulfide thin films using trimethylaluminum and hydrogen sulfide

    International Nuclear Information System (INIS)

    Sequential exposures of trimethylaluminum and hydrogen sulfide are used to deposit aluminum sulfide thin films by atomic layer deposition (ALD) in the temperature ranging from 100 to 200 °C. Growth rate of 1.3 Å per ALD cycle is achieved by in-situ quartz crystal microbalance measurements. It is found that the growth rate per ALD cycle is highly dependent on the purging time between the two precursors. Increased purge time results in higher growth rate. Surface limited chemistry during each ALD half cycle is studied by in-situ Fourier transformed infrared vibration spectroscopy. Time of flight secondary ion-mass spectroscopy measurement is used to confirm elemental composition of the deposited films

  5. Hydrogen plasma treatment for improved conductivity in amorphous aluminum doped zinc tin oxide thin films

    Directory of Open Access Journals (Sweden)

    M. Morales-Masis

    2014-09-01

    Full Text Available Improving the conductivity of earth-abundant transparent conductive oxides (TCOs remains an important challenge that will facilitate the replacement of indium-based TCOs. Here, we show that a hydrogen (H2-plasma post-deposition treatment improves the conductivity of amorphous aluminum-doped zinc tin oxide while retaining its low optical absorption. We found that the H2-plasma treatment performed at a substrate temperature of 50 °C reduces the resistivity of the films by 57% and increases the absorptance by only 2%. Additionally, the low substrate temperature delays the known formation of tin particles with the plasma and it allows the application of the process to temperature-sensitive substrates.

  6. Hydrogen spillover on DV (555-777) graphene – vanadium cluster system: First principles study

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, E. Mathan, E-mail: ranjit.t@res.srmuniv.ac.in, E-mail: mathanranjitha@gmail.com; Thapa, Ranjit, E-mail: ranjit.t@res.srmuniv.ac.in, E-mail: mathanranjitha@gmail.com [SRM Research Institute, SRM University, Kattankulathur, Tamil Nadu - 603203 (India); P, Sabarikirishwaran [Department of Physics and Nanotechnology, SRM University, Kattankulathur, Tamil Nadu - 603203 (India)

    2015-06-24

    Using dispersion corrected density functional theory (DFT+D), the interaction of Vanadium adatom and cluster with divacancy (555-777) defective graphene sheet has been studied elaborately. We explore the prospect of hydrogen storage on V{sub 4} cluster adsorbed divacancy graphene system. It has been observed that V{sub 4} cluster (acting as a catalyst) can dissociate the H{sub 2} molecule into H atoms with very low barrier energy. We introduce the spillover of the atomic hydrogen throughout the surface via external mediator gallane (GaH{sub 3}) to form a hydrogenated system.

  7. Molecular dynamics simulations of anisotropic explosions of small hydrogen clusters in intense laser pulses

    International Nuclear Information System (INIS)

    The explosion dynamics of small hydrogen clusters irradiated by intense femtosecond infrared laser pulses is investigated by classical molecular dynamics simulations. We find a spatial anisotropy in these explosions with proton energies enhanced along the laser polarization direction. Our simulations can identify the origin of this anisotropy: the interplay between the space charge separation in the early stage of cluster ionization and the Coulomb attraction between the rescattered electrons and protons during cluster explosion. (paper)

  8. Three-dimensional simulation on explosions of hydrogen atomic clusters irradiated by an intense femtosecond laser pulse

    Institute of Scientific and Technical Information of China (English)

    Xia Yong; Liu Jian-Sheng; Ni Guo-Quan; Xu Zhi-Zhan

    2004-01-01

    Using classic particle dynamics simulations, the interaction process between an intense femtosecond laser pulse and icosahedral hydrogen atomic clusters H13, H55 and H147 has been studied. It is revealed that with increasing number of atoms in the cluster, the kinetic energy of ions generated in the Coulomb explosion of the ionized hydrogen clusters increases. The expansion process of the clusters after laser irradiation has also been examined, showing that the expansion scale decreases with increasing cluster size.

  9. Hydrogen binding effect on charged P2 ( = 1-7) clusters

    Indian Academy of Sciences (India)

    Zhicong Fang; Xiangjun Kuang

    2013-11-01

    An all-electron (AE) calculation of the hydrogen binding effect on charged phosphorus clusters has been performed under the framework of density functional theory (DFT). Compared with the P$^{\\pm}_{2n}$ ( = 1-7) clusters, the HP$^{\\pm}_{2n}$ ( = 1-7), cluster has shorter average P-P bond length, larger binding energy and HOMOLUMO gap (HLG), higher chemical hardness and frequency of P-P mode. After binding with one hydrogen atom, the electronic structure is changed from open electronic shell to closed electronic shell. Geometrical stability, chemical stability and electronic stability are strengthened. These stability enhancements may be simply understood considering the electron pairing effect.

  10. Reduction of interface states by hydrogen treatment at the aluminum oxide/4H-SiC Si-face interface

    Directory of Open Access Journals (Sweden)

    Hironori Yoshioka

    2016-10-01

    Full Text Available Processes to form aluminum oxide as a gate insulator on the 4H-SiC Si-face are investigated to eliminate the interface state density (DIT and improve the mobility. Processes that do not involve the insertion or formation of SiO2 at the interface are preferential to eliminate traps that may be present in SiO2. Aluminum oxide was formed by atomic layer deposition with hydrogen plasma pretreatment followed by annealing in forming gas. Hydrogen treatment was effective to reduce DIT at the interface of aluminum oxide and SiC without a SiO2 interlayer. Optimization of the process conditions resulted in DIT for the metal oxide semiconductor (MOS capacitor of 1.7×1012 cm−2eV−1 at 0.2 eV, and the peak field-effect mobility of the MOS field-effect transistor (MOSFET was approximately 57 cm2V−1s−1.

  11. Theoretical Studies on the Stabilities and Hydrogen Bond Actions of (H2O)n Clusters

    Institute of Scientific and Technical Information of China (English)

    MENG Xiang-Jun; WANG Ke-Cheng; WU Wen-Sheng; LI Bing-Huan; WANG De-Jin

    2006-01-01

    The stable configurations and hydrogen bond nature of (H2O)n clusters (n = 3~6) have been investigated by the B3LYP method at the 6-31++g** level. Upon calculation, four conclusions have been drawn: (1) In the (H2O)3~5 clusters, cyclic configurations were confirmed to be the most stable. But in the (H2O)3~4 ones, only cyclic configurations could be observed. From n= 5 ((H2O)5 clusters), three-dimensional configuration could be found; (2) In the (H2O)6 clusters, all configurations are inclined to be three-dimensional except the most stable configuration which is cyclic; (3) The stable order of (H2O)6 clusters indicates that it is the arrangement of hydrogen bond that plays a decisive role in the cluster stabilities, the zero-point energy is also important, and cluster stabilities are independent on the number of hydrogen bonds; (4) There exist strong cooperativity and superadditivity in the (H2O)n clusters.

  12. Evaluation of mechanical property data on the 2219 aluminum alloy and application of the data to the design of liquid hydrogen tankage

    Science.gov (United States)

    Witzell, W. E.

    1977-01-01

    The potential use of thin guage 2219 aluminum alloy for airborne liquid hydrogen tankage was examined. Existing data were processed using the Newman two parameter equation, a prediction was made for the life expectancy of a hypothetical liquid hydrogen tank, and additional experimental data were generated in an attempt to correct the deficiencies in the existing data.

  13. Continuous measurement of peak hydrogen fluoride exposures in aluminum smelter potrooms: instrument development and in-plant evaluation.

    Science.gov (United States)

    Dando, Neal; Xu, Weizong; Peace, Jon Nathaniel

    2008-02-01

    The aluminum smelting process continuously evolves both sulfur dioxide (SO2) and hydrogen fluoride (HF) gases. The vast majority of these evolved gases are captured by local exhaust ventilation systems and transported to fume treatment centers. Any gas escaping the ventilation systems could create the potential for workplace exposures. Currently, there are no commercially available sensors that are capable of selectively measuring peak concentrations (< 10 sec) of HF in the presence of SO2. This measurement capability is critical for facilitating a better understanding of the etiology of respiratory health effects. This article presents the development and in-plant testing of a portable, tunable diode-based HF sensor that shows equivalent or improved performance relative to NIOSH Method 7902 and is capable of measuring short-term personal peak HF exposure potentials in operating aluminum smelters.

  14. Production of hydrogen in the reaction between aluminum and water in the presence of NaOH and KOH

    Directory of Open Access Journals (Sweden)

    C. B. Porciúncula

    2012-06-01

    Full Text Available The objective of this work is to investigate the production of hydrogen as an energy source by means of the reaction of aluminum with water. This reaction only occurs in the presence of NaOH and KOH, which behave as catalysts. The main advantages of using aluminum for indirect energy storage are: recyclability, non-toxicity and easiness to shape. Alkali concentrations varying from 1 to 3 mol.L-1 were applied to different metallic samples, either foil (0.02 mm thick or plates (0.5 and 1 mm thick, and reaction temperatures between 295 and 345 K were tested. The results show that the reaction is strongly influenced by temperature, alkali concentration and metal shape. NaOH commonly promotes faster reactions and higher real yields than KOH.

  15. Studies on hollow spherical aluminum silicate cluster. Synthesis of environment friendly materials; Chuku kyujo aluminium keisan`en cluster ni kansuru kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    Ohashi, F.; Maeda, M.; Suzuki, M.; Watamura, S. [National Industrial Research Institute of Nagoya,Nagoya (Japan)

    1999-01-25

    Synthesis of microfine particles of nanometer size, their surface adulteration and control of microstructure take an important position in different areas, such as electronics, chemical, machine and metal industries. However, reports on the established methods for synthesizing hollow spherical particles of nanometer size, which may be applied to micro capsules, cannot be found except for fullerene composed of carbon. This paper introduces a new method for synthesizing hollow spherical amorphous aluminum silicate cluster called allophane as an earth environmental material, and the derived properties of allophane. (translated by NEDO)

  16. Electronic characterization and reactivity of bimetallic clusters of the Ti(Mg){sub n} type for hydrogen storage applications

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Wilber [Institute of Chemistry, University of Antioquia, A.A. 1226, Medellin (Colombia); Truong, Thanh N. [Henry Eyring, Center for Theoretical Chemistry, Department of Chemistry, University of Utah, 315 South 1400 East, Rm 2020, Salt Lake City, UT 84112 (United States); Mondragon, Fanor, E-mail: fmondra@udea.edu.co [Institute of Chemistry, University of Antioquia, A.A. 1226, Medellin (Colombia)

    2011-08-25

    Highlights: > Magnesium-titanium clusters were modeled employing DFT and MP2. > Bimetallic systems have larger stability than monometallic magnesium clusters. > Reactivity of the bimetallic cluster is centered in the transition metal. > Bimetallic clusters are more reactive towards hydrogen to produce more stable hydrides. > Magnesium titanium systems are better for hydrogen storage than pure magnesium systems. - Abstract: This paper describes the variations in the properties, characteristics and hydrogenation energy barriers of magnesium clusters induced by titanium. DFT approach was used to determine the most stable structures at this theory level and then MP2 was used to refine the energy calculations with the basis set 6-311g(d) for magnesium and hydrogen, and pseudopotential lanl2dz for titanium. Bimetallic clusters showed higher stability and reactivity than the corresponding magnesium ones. Titanium induces a change in the magnesium atoms in their electronic configuration reflected in an increase of the population of their orbitals. At the same time titanium electronic populations is modified. These changes cause variations in some reactivity parameters such as the Fukui indexes which modify the hydrogenation of the magnesium clusters and bimetallic clusters. For example, there is a reduction in the energy barrier for dissociation of the H{sub 2} molecule in the bimetallic clusters. In the hydrogenated cluster the hydrogen atoms form bridges between all of the magnesium or magnesium-titanium atoms. These results indicate that, energetically, bimetallic systems can be more promising systems for hydrogen storage.

  17. Application of genetic algorithms to hydrogenated silicon clusters

    Indian Academy of Sciences (India)

    N Chakraborti; R Prasad

    2003-01-01

    We discuss the application of biologically inspired genetic algorithms to determine the ground state structures of a number of Si–H clusters. The total energy of a given configuration of a cluster has been obtained by using a non-orthogonal tight-binding model and the energy minimization has been carried out by using genetic algorithms and their recent variant differential evolution. Our results for ground state structures and cohesive energies for Si–H clusters are in good agreement with the earlier work conducted using the simulated annealing technique. We find that the results obtained by genetic algorithms turn out to be comparable and often better than the results obtained by the simulated annealing technique.

  18. [Ca(BH4)2] n clusters as hydrogen storage material: A DFT study

    Science.gov (United States)

    Han, Cuiling; Dong, Yanyun; Wang, Bingqiang; Zhang, Caiyun

    2016-10-01

    Calcium borohydride is widely studied as a hydrogen storage material. However, investigations on calcium borohydride from a cluster perspective are seldom found. The geometric structures and binding energies of [Ca(BH4)2] n ( n = 1-4) clusters are determined using density function theory (DFT). For the most stable structures, vibration frequency, natural bond orbital (NBO) are calculated and discussed. The charge transfer from (BH4) to Ca was observed. Meanwhile, we also study the LUMO-HOMO gap ( E g) and the B-H bond dissociation energies (BDEs). [Ca(BH4)2]3 owns higher E g, revealing that trimer is more stable than the other forms. Structures don't change during optimization after hydrogen radical removal, showing that calcium borohydride could possibly be used as a reversible hydrogen storage material. [Ca(BH4)2]4 has the smallest dissociation energy suggesting it releases hydrogen more easily than others.

  19. Foil dissociation of 40-120 keV/p hydrogen clusters

    International Nuclear Information System (INIS)

    We report on measurements of angular and charge state distributions of hydrogen fragments resulting from the dissociation of fast Hn+ clusters (n ≤ 13) in a carbon foil. The proximity effects on the fragment neutralization has been investigated for beam velocities above and around the Bohr velocity. At a given velocity the angular width and the yield of neutral atoms are observed to saturate at n ≥ 5 and n ≥ 7, respectively. The interpretation of these behaviours provides some insight on the collective aspects of the collisions and on the structure of hydrogen clusters

  20. Reaction dynamics and statistical theory for the growth of hydrogen bonding clusters

    Institute of Scientific and Technical Information of China (English)

    WANG; Haijun; BA; Xinwu(巴信武); ZHAO; Min(赵敏)

    2002-01-01

    The similarities between the formation of hydrogen bonds and polycondensation reactions are stated from the statistical viewpoint, and then taking the hydrogen bonding system of AaDd type as an example, the growing process of hydrogen bonding clusters is investigated in terms of the theory of reaction dynamics and statistical theory for polymeric reactions. The two methods lead to the same conclusions, stating that the statistical theory for polymerization is applicable to the hydrogen bonding systems. Based on this consideration, the explicit relationship between the conversions of proton-donors and proton-acceptors and the Gibbs free energy of the system under study is given. Furthermore, the sol-gel phase transition is predicted to take place in some hydrogen bonding systems, and the corresponding generalized scaling laws describing this kind of phase transition are obtained.

  1. Li{sub 2}O clusters for high-capacity hydrogen storage: A first principles study

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yusheng [College of Mathematics and Information Science, North China University of Water Resources and Electric Power, Zhengzhou, Henan 450011 (China); International Joint Research Laboratory for Quantum Functional Materials of Henan, and School of Physics and Engineering, Zhengzhou University, Zhengzhou, Henan 450001 (China); Li, Xingfu [College of Mathematics and Information Science, North China University of Water Resources and Electric Power, Zhengzhou, Henan 450011 (China); Wang, Fei [International Joint Research Laboratory for Quantum Functional Materials of Henan, and School of Physics and Engineering, Zhengzhou University, Zhengzhou, Henan 450001 (China); Xu, Bin; Zhang, Jing [College of Mathematics and Information Science, North China University of Water Resources and Electric Power, Zhengzhou, Henan 450011 (China); Sun, Qiang [International Joint Research Laboratory for Quantum Functional Materials of Henan, and School of Physics and Engineering, Zhengzhou University, Zhengzhou, Henan 450001 (China); Jia, Yu, E-mail: jiayu@zzu.edu.cn [International Joint Research Laboratory for Quantum Functional Materials of Henan, and School of Physics and Engineering, Zhengzhou University, Zhengzhou, Henan 450001 (China)

    2013-03-29

    Highlights: ► Li{sub 2}O clusters as hydrogen storage media. ► The average adsorption energy of hydrogen molecule is 0.19–0.22 eV/H{sub 2}. ► It can operate under ambient thermodynamic conditions. - Abstract: First-principles calculations based on density functional theory were carried out to study the geometries, electronic structures, and hydrogen storage properties of (Li{sub 2}O){sub n} clusters. The results show that for a given n its ground-state structure usually has the maximum Li–O bond. Due to transferring of charges from Li to O, the Li–O bond is polar. The orbital hybridization and the polarization are two main reasons for the adsorption of H{sub 2}. The (Li{sub 2}O){sub n} (n = 1–6) clusters each can bind 12–24 hydrogen molecules with average adsorption energy of 0.19–0.22 eV/H{sub 2}, desirable for reversible hydrogen storage.

  2. Evolution of the vibrational spectra of doped hydrogen clusters with pressure

    Science.gov (United States)

    Santamaria, Ruben; Soullard, Jacques; Bokhimi, Xim; Martínez-Alanis, Paulina R.

    2014-05-01

    The evolution of the vibrational spectra of the isoelectronic hydrogen clusters H26, H24He, and H24Li+ is determined with pressure. We establish the vibrational modes with collective character common to the clusters, identify their individual vibrational fingerprints and discuss frequency shifts in the giga-Pascal pressure region. The results are of interest for the identification of doping elements such as inert He and ionic Li+ in hydrogen under confinement or, conversely, establish the pressure of doped hydrogen when the vibrational spectrum is known. At high pressure, the spectra of the nanoclusters resemble the spectrum of a solid, and the nanoclusters may be considered crystals of nanometer scale. The computations are performed at the gradient-corrected level of density functional theory. The investigation is the first of its kind.

  3. Cluster-based composition rule for Laves phase-related BCC solid solution hydrogen storage alloys

    Institute of Scientific and Technical Information of China (English)

    WANG Qing; CHEN Feng; WU Jiang; QIANG Jianbing; DONG Chuang; ZHANG Yao; XU Fen; SUN Lixian

    2006-01-01

    A new cluster line approach for the composition rule of Laves phase-related BCC solid solution hydrogen-storage alloys was presented. The cluster line in a ternary phase diagram refers to a straight composition line linking a specific binary cluster to the third element. In the Laves phase-related BCC solid solution alloy system such as Ti-Cr-V, Ti-Cr tends to form binary Cr2Ti Laves phase while Ti-V and Cr-V to form solid solutions. This Laves phase is characterized by a close-packing icosahedral cluster Cr7Ti6. A cluster line Cr7Ti6-V is then constructed in this system. Alloy rods with a diameter of 3 mm of compositions along this line were prepared by copper-mould suction method. The alloy structure is found to vary with the V contents. Furthermore, the P-C-T measurements indicate that the cluster-line (Cr7Ti6)1-xVx alloys have large hydrogen storage capacities.

  4. Oxidation and decomposition mechanisms of air sensitive aluminum clusters at high heating rates

    Science.gov (United States)

    DeLisio, Jeffery B.; Mayo, Dennis H.; Guerieri, Philip M.; DeCarlo, Samantha; Ives, Ross; Bowen, Kit; Eichhorn, Bryan W.; Zachariah, Michael R.

    2016-09-01

    Molecular near zero oxidation state clusters of metals are of interest as fuel additives. In this work high heating rate decomposition of the Al(I) tetrameric cluster, [AlBr(NEt3)]4 (Et = C2H5), was studied at heating rates of up to 5 × 105 K/s using temperature-jump time-of-flight mass spectrometry (T-jump TOFMS). Gas phase Al and AlHx species were rapidly released during decomposition of the cluster, at ∼220 °C. The activation energy for decomposition was determined to be ∼43 kJ/mol. Addition of an oxidizer, KIO4, increased Al, AlO, and HBr signal intensities, showing direct oxidation of the cluster with gas phase oxygen.

  5. Hydrogen reverses the clustering tendency of carbon in amorphous silicon oxycarbide

    OpenAIRE

    Hepeng Ding; Demkowicz, Michael J.

    2015-01-01

    Amorphous silicon oxycarbide (SiOC) is of great technological interest. However, its atomic-level structure is not well understood. Using density functional theory calculations, we show that the clustering tendency of C atoms in SiOC is extremely sensitive to hydrogen (H): without H, the C-C interaction is attractive, leading to enrichment of aggregated SiC[subscript 4] tetrahedral units; with hydrogen, the C-C interaction is repulsive, leading to enrichment of randomly distributed SiCO[subsc...

  6. Dynamics of two interacting hydrogen bubbles in liquid aluminum under the influence of a strong acoustic field

    Science.gov (United States)

    Lebon, Gerard S. B.; Pericleous, Koulis; Tzanakis, Iakovos; Eskin, Dmitry G.

    2015-10-01

    Ultrasonic melt processing significantly improves the properties of metallic materials. However, this promising technology has not been successfully transferred to the industry because of difficulties in treating large volumes of melt. To circumvent these difficulties, a fundamental understanding of the efficiency of ultrasonic treatment of liquid metals is required. In this endeavor, the dynamics of two interacting hydrogen bubbles in liquid aluminum are studied to determine the effect of a strong acoustic field on their behavior. It is shown that coalescence readily occurs at low frequencies in the range of 16 to 20 kHz; forcing frequencies at these values are likely to promote degassing. Emitted acoustic pressures from relatively isolated bubbles that resonate with the driving frequency are in the megapascal range and these cavitation shock waves are presumed to promote grain refinement by disrupting the growth of the solidification front.

  7. The Assessment of Hydrogen Energy Systems for Fuel Cell Vehicles Using Principal Componenet Analysis and Cluster Analysis

    DEFF Research Database (Denmark)

    Ren, Jingzheng; Tan, Shiyu; Dong, Lichun

    2012-01-01

    to verify the correctness and accuracy of the principal components (PCs) determined by PCA in this paper. A case including 11 different hydrogen energy systems for fuel cell vehicles has been studied in this paper, and the system using steam reforming of natural gas for hydrogen production, pipeline...... for transportation of hydrogen, hydrogen gas tank for the storage of hydrogen at refueling stations, and gaseous hydrogen as power energy for fuel cell vehicles has been recognized as the best scenario. Also, the clustering results calculated by CA are consistent with those determined by PCA, denoting...

  8. Addition of Ethylene or Hydrogen to a Main-Group Metal Cluster under Mild Conditions

    OpenAIRE

    Vasko, Petra; Wang, Shuai; TUONONEN, Heikki; Power, Philip P.

    2015-01-01

    Reaction of the tin cluster Sn8(Arinline image)4 (Arinline image=C6H2-2,6-(C6H3-2,4,6-Me3)2) with excess ethylene or dihydrogen at 25 °C/1 atmosphere yielded two new clusters that incorporated ethylene or hydrogen. The reaction with ethylene yielded Sn4(Arinline image)4(C2H2)5 that contained five ethylene moieties bridging four aryl substituted tin atoms and one tin–tin bond. Reaction with H2 produced a cyclic tin species of formula (Sn(H)Arinline image)4, which could also be synthesized by t...

  9. Chemisorption of hydrogen and oxygen atoms on a cobalt surface: A quantum chemical cluster model study

    International Nuclear Information System (INIS)

    The chemisorption of atomic hydrogen and oxygen on a cobalt surface has been studied on a five-atom cluster model using one-electron effective core potential (le- ECP) and all-electron calculations at the ab initio SCF and MCPF levels. Also, density functional calculations have been carried out. The different approaches are evaluated. The le- ECP has been compared to similar ECPS for nickel and copper. Our results indicate that this approach is valid also for cobalt. Different contributions to the cluster-adsorbate bonding energy are discussed. 31 refs., 1 fig., 1 tab

  10. The Role of Molecule Clustering by Hydrogen Bond in Hydrous Ethanol on Laminar Burning Velocity

    Directory of Open Access Journals (Sweden)

    I Made Suarta

    2016-01-01

    Full Text Available The role of hydrogen bond molecule clustering in laminar burning velocities was observed. The water in hydrous ethanol can change the interaction between water-ethanol molecules. A certain amount of water can become oxygenated which increases the burning velocity. The hydrogen bond interaction pattern of ethanol and water molecules was modeled. Based on the molecular model, azeotropic behavior emerges from ethanol-water hydrogen bond, which is at a 95.1%v composition. The interaction with water molecule causes the ethanol molecule to be clustered with centered oxygenated compound. So, it supplies extra oxygen and provides intermolecular empty spaces that are easily infiltrated by the air. In the azeotropic composition, the molecular bond chain is the shortest, so hypothetically the burning velocity is anticipated to increase. The laminar burning velocity of ethanol fuel was tested in a cylindrical explosion bomb in lean, stoichiometric, and rich mixtures. The experimental result showed that the maximum burning velocity occurred at hydrous ethanol of 95.5%v composition. This discrepancy is the result of the addition of energy from 7.7% free ethanol molecules that are not clustered. At the rich mixture, the burning velocity of this composition is higher than that of anhydrous ethanol.

  11. Probing the structures of gold-aluminum alloy clusters AuxAly-: a joint experimental and theoretical study

    Science.gov (United States)

    Khetrapal, Navneet Singh; Jian, Tian; Pal, Rhitankar; Lopez, Gary V.; Pande, Seema; Wang, Lai-Sheng; Zeng, Xiao Cheng

    2016-05-01

    Besides the size and structure, compositions can also dramatically affect the properties of alloy nanoclusters. Due to the added degrees of freedom, determination of the global minimum structures for multi-component nanoclusters poses even greater challenges, both experimentally and theoretically. Here we report a systematic and joint experimental/theoretical study of a series of gold-aluminum alloy clusters, AuxAly- (x + y = 7,8), with various compositions (x = 1-3 y = 4-7). Well-resolved photoelectron spectra have been obtained for these clusters at different photon energies. Basin-hopping global searches, coupled with density functional theory calculations, are used to identify low-lying structures of the bimetallic clusters. By comparing computed electronic densities of states of the low-lying isomers with the experimental photoelectron spectra, the global minima are determined. It is found that for y >= 6 there is a strong tendency to form the magic-number square bi-pyramid motif of Al6- in the AuxAly- clusters, suggesting that the Al-Al interaction dominates the Au-Au interaction in the mixed clusters. A closely related trend is that for x > 1, the gold atoms tend to be separated by Al atoms unless only the magic-number Al6- square bi-pyramid motif is present, suggesting that in the small-sized mixed clusters, Al and Au components do not completely mix with one another. Overall, the Al component appears to play a more dominant role due to the high robustness of the magic-number Al6- square bi-pyramid motif, whereas the Au component tends to be either ``adsorbed'' onto the Al6- square bi-pyramid motif if y >= 6, or stays away from one another if x searches, coupled with density functional theory calculations, are used to identify low-lying structures of the bimetallic clusters. By comparing computed electronic densities of states of the low-lying isomers with the experimental photoelectron spectra, the global minima are determined. It is found that for y >= 6

  12. A density functional study on the adsorption of hydrogen molecule onto small copper clusters

    Indian Academy of Sciences (India)

    Xiang-Jun Kuang; Xin-Qiang Wang; Gao-Bin Liu

    2011-09-01

    An all-electron scalar relativistic calculation on the adsorption of hydrogen molecule onto small copper clusters has been performed by using density functional theory with the generalized gradient approximation (GGA) at PW91 level. Our results reveal that after adsorption of H2 molecule, the Cu-Cu interaction is strengthened and the H-H interaction is weakened, the reactivity enhancement of H2 molecule is obvious. The VIPs, HLGs and VEAs of CuH2 clusters show an obvious odd-even oscillation. It is suggested that the H2 molecule is more favourable to be adsorbed by the even-numbered small copper clusters. Meanwhile, the odd-even alteration of magnetic moments is also observed and may be served as the material with tunable code capacity of `0’ and `1' by adsorbing hydrogen molecule onto odd or even-numbered small copper clusters. Some discrepancies of dissociative adsorption between our work and previous works are found and may be understood in terms of the electron pairing effect and the scalar relativistic effect.

  13. Construction and test of a high power injector of hydrogen cluster ions

    CERN Document Server

    Becker, E W; Hagena, O F; Henkes, P R W; Klingelhofer, R; Moser, H O; Obert, W; Poth, I

    1979-01-01

    A high power injector of hydrogen cluster ions, rated for 1 MV and 100 kW, is described. The injector is split in three separate tanks connected by a 1 MV transfer line. The cluster ion beam source and all its auxiliary equipment is placed at high voltage, insulated by SF/sub 6/ gas at pressure of 4 bar. The main components of the injector are: The cluster ion beam source with integrated helium cryopumps, the CERN type acceleration tube with 750 mm ID, the beam dump designed to handle the mass and energy flux under DC conditions, a 1 MV high voltage terminal for the auxiliary equipment supplied by its 40 kVA power supply with power, and the 1 MV 120 kW DC high voltage generator. This injector is installed in Karlsruhe. Performance tests were carried out successfully. It is intended to use this injector for refuelling experiments at the ASDEX Tokamak. (12 refs).

  14. Oxidation of hydrogen-passivated silicon surfaces by scanning near-field optical lithography using uncoated and aluminum-coated fiber probes

    DEFF Research Database (Denmark)

    Madsen, Steen; Bozhevolnyi, Sergey I.; Birkelund, Karen;

    1997-01-01

    Optically induced oxidation of hydrogen-passivated silicon surfaces using a scanning near-field optical microscope was achieved with both uncoated and aluminum-coated fiber probes. Line scans on amorphous silicon using uncoated fiber probes display a three-peak profile after etching in potassium...... hydroxide. Numerical simulations of the electromagnetic field around the probe-sample interaction region are used to explain the experimental observations. With an aluminum-coated fiber probe, lines of 35 nm in width were transferred into the amorphous silicon layer. (C) 1997 American Institute of Physics....

  15. Hydrogen Content and Porosity Behavior of Hypereutectic Aluminum-silicon Alloy with Phosphorus

    Institute of Scientific and Technical Information of China (English)

    HU Li-na; BIAN Xiu-fang; DUAN You-feng

    2004-01-01

    By making castings that pick up gas from moisture in red sand molds,the porosity generated at different cooling rates was discussed during solidification of hypereutectic Al-25%Si alloy without and with phosphorus additions. The effect of phosphorus addition on hydrogen content in the melt was also studied. It was observed that the phosphorus addition made hydrogen content in alloy melts present a "see-saw" tendency.In addition to primary silicon refinement,the phosphorus promoted gas porosity formed not only in slowly cooled sections, but also in rapidly cooled sections. There was a small difference in density of full dense sample between P-refined and unrefined castings, with a larger density associated with phosphorous addition. The change of the surface tension seemed more reasonable to explain the mechanism of porosity behavior.

  16. Electrocatalytic Hydrogen Production by an Aluminum(III) Complex: Ligand-Based Proton and Electron Transfer.

    Science.gov (United States)

    Thompson, Emily J; Berben, Louise A

    2015-09-28

    Environmentally sustainable hydrogen-evolving electrocatalysts are key in a renewable fuel economy, and ligand-based proton and electron transfer could circumvent the need for precious metal ions in electrocatalytic H2 production. Herein, we show that electrocatalytic generation of H2 by a redox-active ligand complex of Al(3+) occurs at -1.16 V vs. SCE (500 mV overpotential). PMID:26249108

  17. Innovative regions and industrial clusters in hydrogen and fuel cell technology

    DEFF Research Database (Denmark)

    Madsen, Anne Nygaard; Andersen, Per Dannemand

    2010-01-01

    Regional governments in Europe seem to be playing an increasing role in hydrogen and fuel cell (H2FC) development. A number of regions are supporting demonstration projects and building networks among regional stakeholders to strengthen their engagement in H2FC technology. In this article, we wil...... further research is needed before qualified policy implications can be drawn, an overall well-functioning regional innovation system is important in the formative phase of an H2FC innovation system....... will analyse regions that are highly engaged in H2FC activity, based on three indicators: existing hydrogen infrastructure and production sites, general innovativeness and the presence of industrial clusters with relevance for H2FC. Our finding is that regions with high activity in H2FC development are also...... innovative regions in general. Moreover, the article highlights some industrial clusters that create favourable conditions for regions to take part in H2FC development. Existing hydrogen infrastructure, however, seems to play only a minor role in a region’s engagement. The article concludes that, while...

  18. Electronic Origins of the Variable Efficiency of Room-Temperature Methane Activation by Homo- and Heteronuclear Cluster Oxide Cations [XYO2](+) (X, Y = Al, Si, Mg): Competition between Proton-Coupled Electron Transfer and Hydrogen-Atom Transfer.

    Science.gov (United States)

    Li, Jilai; Zhou, Shaodong; Zhang, Jun; Schlangen, Maria; Weiske, Thomas; Usharani, Dandamudi; Shaik, Sason; Schwarz, Helmut

    2016-06-29

    The reactivity of the homo- and heteronuclear oxide clusters [XYO2](+) (X, Y = Al, Si, Mg) toward methane was studied using Fourier transform ion cyclotron resonance mass spectrometry, in conjunction with high-level quantum mechanical calculations. The most reactive cluster by both experiment and theory is [Al2O2](•+). In its favorable pathway, this cluster abstracts a hydrogen atom by means of proton-coupled electron transfer (PCET) instead of following the conventional hydrogen-atom transfer (HAT) route. This mechanistic choice originates in the strong Lewis acidity of the aluminum site of [Al2O2](•+), which cleaves the C-H bond heterolytically to form an Al-CH3 entity, while the proton is transferred to the bridging oxygen atom of the cluster ion. In addition, a comparison of the reactivity of heteronuclear and homonuclear oxide clusters [XYO2](+) (X, Y = Al, Si, Mg) reveals a striking doping effect by aluminum. Thus, the vacant s-p hybrid orbital on Al acts as an acceptor of the electron pair from methyl anion (CH3(-)) and is therefore eminently important for bringing about thermal methane activation by PCET. For the Al-doped cluster ions, the spin density at an oxygen atom, which is crucial for the HAT mechanism, acts here as a spectator during the course of the PCET mediated C-H bond cleavage. A diagnostic plot of the deformation energy vis-à-vis the barrier shows the different HAT/PCET reactivity map for the entire series. This is a strong connection to the recently discussed mechanism of oxidative coupling of methane on magnesium oxide surfaces proceeding through Grignard-type intermediates.

  19. Hydrogen reverses the clustering tendency of carbon in amorphous silicon oxycarbide.

    Science.gov (United States)

    Ding, Hepeng; Demkowicz, Michael J

    2015-01-01

    Amorphous silicon oxycarbide (SiOC) is of great technological interest. However, its atomic-level structure is not well understood. Using density functional theory calculations, we show that the clustering tendency of C atoms in SiOC is extremely sensitive to hydrogen (H): without H, the C-C interaction is attractive, leading to enrichment of aggregated SiC4 tetrahedral units; with hydrogen, the C-C interaction is repulsive, leading to enrichment of randomly distributed SiCO3 tetrahedral units. Our results suggest that conflicting experimental characterizations of C distributions may be due to differing amounts of H present in the samples investigated. Our work also opens a path for tailoring the properties of SiOC by using the total H content to control the C distribution. PMID:26269200

  20. Neutral hydrogen in galaxy clusters: impact of AGN feedback and implications for intensity mapping

    CERN Document Server

    Villaescusa-Navarro, Francisco; Borgani, Stefano; Viel, Matteo; Rasia, Elena; Murante, Giuseppe; Dolag, Klaus; Steinborn, Lisa K; Biffi, Veronica; Beck, Alexander M; Ragone-Figueroa, Cinthia

    2016-01-01

    By means of zoom-in hydrodynamic simulations we quantify the amount of neutral hydrogen (HI) hosted by groups and clusters of galaxies. Our simulations, which are based on an improved formulation of smoothed particle hydrodynamics (SPH), include radiative cooling, star formation, metal enrichment and supernova feedback, and can be split in two different groups, depending on whether feedback from active galactic nuclei (AGN) is turned on or off. Simulations are analyzed to account for HI self-shielding and the presence of molecular hydrogen. We find that the mass in neutral hydrogen of dark matter halos monotonically increases with the halo mass and can be well described by a power-law of the form $M_{\\rm HI}(M,z)\\propto M^{3/4}$. Our results point out that AGN feedback reduces both the total halo mass and its HI mass, although it is more efficient in removing HI. We conclude that AGN feedback reduces the neutral hydrogen mass of a given halo by $\\sim50\\%$, with a weak dependence on halo mass and redshift. The...

  1. Electron-induced hydrogen loss in uracil in a water cluster environment

    Energy Technology Data Exchange (ETDEWEB)

    Smyth, M.; Kohanoff, J. [Atomistic Simulation Centre, Queen' s University Belfast, Belfast BT7 1NN, Northern Ireland (United Kingdom); Fabrikant, I. I., E-mail: ifabrikant1@unl.edu [Department of Physics and Astronomy, University of Nebraska, Lincoln, Nebraska 68588, USA and Department of Physical Sciences, The Open University, Walton Hall, Milton Keynes MK7 6AA (United Kingdom)

    2014-05-14

    Low-energy electron-impact hydrogen loss due to dissociative electron attachment (DEA) to the uracil and thymine molecules in a water cluster environment is investigated theoretically. Only the A{sup ′}-resonance contribution, describing the near-threshold behavior of DEA, is incorporated. Calculations are based on the nonlocal complex potential theory and the multiple scattering theory, and are performed for a model target with basic properties of uracil and thymine, surrounded by five water molecules. The DEA cross section is strongly enhanced when the attaching molecule is embedded in a water cluster. This growth is due to two effects: the increase of the resonance lifetime and the negative shift in the resonance position due to interaction of the intermediate negative ion with the surrounding water molecules. A similar effect was earlier found in DEA to chlorofluorocarbons.

  2. Theoretical study of hydrogen adsorption on Ca-decorated C48B12 clusters

    Directory of Open Access Journals (Sweden)

    Pengtang Qi

    2015-09-01

    Full Text Available The hydrogen adsorption on Ca-decorated C48B12 clusters is studied using density functional theory. The favorable binding site for Ca atom is the hexagonal C4B2 rings. The strong interaction between Ca atoms and C48B12 cluster hinders the aggregation of Ca atoms on the cluster surface. C48B12 is an electron deficient system with a large electron affinity of 2.952 eV. The decorated Ca atoms transfer their electrons to the cluster easily. The net charges on the Ca atoms are in the range of 1.101 to 1.563 e. When H2 molecules approach the Ca atoms, they are moderately polarized and adsorbed around the Ca atoms in molecular form. The adsorption strength can reach up to 0.133 eV/H2. Each Ca atom in the Ca-decorated C48B12 complexes can adsorb three H2 molecules. The fully decorated C48B12Ca6 can hold up to 18 H2 molecules.

  3. Computational investigation of hydrogen adsorption in silicon-lithium binary clusters

    Indian Academy of Sciences (India)

    Naresh K Jena; K Srinivasu; Swapan K Ghosh

    2012-01-01

    Theoretical studies on hydrogen adsorption properties of silicon-lithium binary clusters are carried out. We have considered three different clusters viz., Si5Li−5, Si5Li6 and Si5Li$^{+}_{7}$ and for each cluster, the geometries of different possible isomers are optimized. In all the minimum energy isomers of the three clusters considered, two of the lithium atoms are found to be situated in the axial positions and the remaining lithium atoms are in the equatorial position in the Si5 plane. The lithium atoms which are in Si5 plane are bonded to the Si-Si edge through a bridged bond instead of a corner in the Si5 ring. From the calculated atomic charges, it is found that there is a charge transfer from lithium to silicon leaving a partial positive charge on the Li atoms and the axial lithium atoms are more charged as compared to the remaining lithium atoms. In the case of Si5Li6 and Si5Li$^{+}_{7}$, the Li sites can trap a total of 14 and 17 H2 molecules, respectively, with each bridge bonded Li site adsorbing three H2 molecules and each axial Li adsorbing one H2 molecule which corresponds to a gravimetric density of 13.33 wt% and 15.25 wt%, respectively.

  4. Predominance of cluster I Clostridium in hydrogen fermentation of galactose seeded with various heat-treated anaerobic sludges.

    Science.gov (United States)

    Park, Jeong-Hoon; Lee, Sang-Hoon; Yoon, Jeong-Jun; Kim, Sang-Hyoun; Park, Hee-Deung

    2014-04-01

    To identify the key bacterial populations in hydrogen fermentation of galactose, a fermentor seeded with a heat-treated sludge was operated. After 27h of fermentation, the proportion of butyric acid increased to 69.4wt.% and the gas production yield reached 1.0molH2/molgalactose. In the pyrosequencing of 16S rDNA, an increase of the proportion of the phylum Firmicutes from 4.2% to 92% (mostly cluster I Clostridium) was observed. To verify the predominance and the ubiquity of the cluster, five fermentors seeded with different heat-treated anaerobic sludges having different feedstock compositions and digestion temperatures were investigated using qPCR analyses. The abundance of the cluster increased >100-fold during the fermentation, regardless of the inocula. Moreover, the abundance was negatively correlated with the lag time of hydrogen production and positively correlated with the hydrogen production rate, demonstrating the relevance of the cluster to hydrogen production. Taken together, the results clearly revealed the importance of cluster I Clostridium in the hydrogen fermentation of galactose.

  5. Hydrogen bonding in (substituted benzene)·(water)n clusters with n≤4

    International Nuclear Information System (INIS)

    Infrared ion-depletion spectroscopy, a double resonance method combining vibrational predissociation with resonant two-photon ionization (R2PI) spectroscopy, has been applied to study mixed clusters of the type (substituted benzene)·(H2O)n with n≤4. The UV chromophores were p-difluorobenzene, fluorobenzene, benzene, toluene, p-xylene and anisole. From the IR depletion spectra in the region of the OH stretching vibrations it could be shown that the water molecules are attached as subclusters to the chromophores. Size and configuration of the subclusters could be deduced from the IR depletion spectra. In the anisole·(H2O)1and2 complexes the water clusters form an ordinary hydrogen bond to the oxygen atom of the methoxy group. In all other mixed complexes a π-hydrogen bond is formed between one of the free OH groups of a water subcluster and the π-system of the chromophore. According to the strength of this interaction the frequency of the respective absorption band exhibits a characteristic red-shift which could be related to the total atomic charges in the aromatic ring. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

  6. DFT model cluster studies of O₂ adsorption on hydrogenated titania sub-nanoparticles.

    Science.gov (United States)

    Andreev, Alexey S; Kuznetsov, Vyacheslav N; Chizhov, Yuri V

    2013-11-01

    In the present paper, we examine the general applicability of different TiO2 model clusters to study of local chemical events on TiO2 sub-nanoparticles. Our previous DFT study of TiO2 activation through H adsorption and following deactivation by O2 adsorption using small amorphous Ti8O16 cluster were complemented by examination of rutile-type and spherical Ti15O30 nanoclusters. The obtained results were thoroughly compared with experimental data and results of related computational studies using other TiO2 models including periodic structures. It turned out that all considered model TiO2 model systems provide qualitatively similar results. It was shown that atomic hydrogen is adsorbed with negligible activation energy on surface O atoms, which is accompanied by the appearance of reduced Ti(3+) species and corresponding localized band gap 3d-Ti states. Oxygen molecule is adsorbed on Ti(3+) sites spontaneously forming molecular O2 (-) species by capturing an extra electron of Ti(3+) ion, which results in disappearance of Ti(3+) species and corresponding band gap states. Calculated g-tensor values of Ti(3+) and O2 (-) species agree well with the results of EPR studies and do not depend on the used TiO2 model cluster. Additionally, it was shown that the various cluster calculations provide results comparable with the calculations of periodic structures with respect to the modeling of chemical processes under study. As a whole, the present study approves the validity of molecular cluster approach to study of local chemical events on TiO2 sub-nanoparticles. PMID:24085538

  7. Hydrogen bonded rings, chains and lassos: the case of t-butyl alcohol clusters

    Science.gov (United States)

    Zimmermann, D.; Häber, Th.; Schaal, H.; Suhm, M. A.

    Infrared OH stretching spectra of hydrogen bonded 2-methyl-propan-2-ol (t-butyl alcohol) clusters are investigated by ragout-jet FTIR spectroscopy. A spectral difference technique is used to discriminate approximately between neighbouring cluster sizes. Dimers, trimers and cyclic tetramers can be detected along with larger clusters, which exhibit a surprisingly structured vibrational fingerprint. Comparison is made to the spectra of related alcohols and to energetic and harmonic vibrational predictions from electronic structure calculations. The experimentally observed 32% increase in OH stretching wavenumber shift from methanol dimer to t-butyl alcohol dimer is reproduced at the HF/3-21G level (+ 33%). It is also qualitatively correct at the MP2/6-31+ G* level (+ 15%), whereas it has the wrong sign at the B3LYP/6-31+ G* level (-5%) and is negligible at the HF/6-31+ G* level, disregarding anharmonic effects. The cyclic tetramer of t-butyl alcohol is found to be particularly stable due to a favourable up-down alternation of the bulky t-butyl groups. Beyond the t-butyl alcohol tetramer, lasso structures are found to be energetically competitive with simple ring structures. A many-body decomposition shows that this is due to a reduced cooperativity in the sterically hindered pentamer ring. The resulting thermodynamic and kinetic relevance of cyclic tetramers is discussed.

  8. Cluster virial expansion for the equation of state of partially ionized hydrogen plasma.

    Science.gov (United States)

    Omarbakiyeva, Y A; Fortmann, C; Ramazanov, T S; Röpke, G

    2010-08-01

    We study the contribution of electron-atom interaction to the equation of state for partially ionized hydrogen plasma using the cluster-virial expansion. We use the Beth-Uhlenbeck approach to calculate the second virial coefficient for the electron-atom (bound cluster) pair from the corresponding scattering phase shifts and binding energies. Experimental scattering cross-sections as well as phase shifts calculated on the basis of different pseudopotential models are used as an input for the Beth-Uhlenbeck formula. By including Pauli blocking and screening in the phase shift calculation, we generalize the cluster-virial expansion in order to cover also near solid density plasmas. We present results for the electron-atom contribution to the virial expansion and the corresponding equation of state, i.e. pressure, composition, and chemical potential as a function of density and temperature. These results are compared with semiempirical approaches to the thermodynamics of partially ionized plasmas. Avoiding any ill-founded input quantities, the Beth-Uhlenbeck second virial coefficient for the electron-atom interaction represents a benchmark for other, semiempirical approaches. PMID:20866926

  9. DISCOVERY OF RELATIVELY HYDROGEN-POOR GIANTS IN THE GALACTIC GLOBULAR CLUSTER ω CENTAURI

    Energy Technology Data Exchange (ETDEWEB)

    Hema, B. P.; Pandey, Gajendra, E-mail: hema@iiap.res.in, E-mail: pandey@iiap.res.in [Indian Institute of Astrophysics, Bengaluru, Karnataka 560034 (India)

    2014-09-10

    In this Letter, the results of our low-resolution spectroscopic survey for identifying hydrogen-deficient stars in the red giant sample of the globular cluster ω Cen are reported. Spectral analyses were carried out on the basis of the strengths of the (0, 0) MgH band and the Mg b triplet. In our sample, four giants were identified with weak/absent MgH bands in their observed spectra, which was unexpected for their well determined stellar parameters. The Mg abundances for the program stars were determined from the subordinate lines of the MgH band to the blue of the Mg b triplet, using the spectral synthesis technique. The derived Mg abundances for the program stars were as expected for the red giants of ω Cen, except for the four identified candidates. The determined Mg abundances of these four candidates are much lower than that expected for the red giants of ω Cen, and are unacceptable based on the strengths of the Mg b triplet in their observed spectra. Hence, a plausible explanation for the weak/absent MgH bands in the observed spectra of these stars is a relatively lower abundance of hydrogen in their atmospheres. These giants may belong to the group of helium-enriched red giants of ω Cen.

  10. Eddy Current Loss Induced in Aluminum Thermal Conduction Strips for ASPCS Coils Indirectly Cooled by Liquid Hydrogen through Thermo-siphon System

    Science.gov (United States)

    Ota, Narumi; Katsura, Masashi; Ando, Kennosuke; Takao, Tomoaki; Shintomi, Takakazu; Makida, Yasuhiro; Hamajima, Takataro; Tsuda, Makoto; Miyagi, Daisuke; Tsujigami, Hiroshi; Fujikawa, Shizuichi; Semba, Toshiaki; Iwaki, Katsuya

    To promote renewable energy sources, we proposed a new system called the Advanced Superconducting Power Conditioning System (ASPCS), which consists of Superconducting Magnetic Energy Storage-system (SMES), Electrolyzer, and Fuel Cell, and is also combined with a liquid hydrogen station for vehicles. The SMES plays a role to compensate the fast fluctuations generated by the renewable energies. In case of the ASPCS with a capacity of 5 MW, we designed the 50 MJ-class SMES composed of 4 solenoid coils. The winding of the solenoid coils is double pancake and a basic coil is 2 m in diameter and 0.5 m in height. Each SMES coil is wound with MgB2 conductor and indirectly cooled at 20 K by liquid hydrogen flowing through a thermo-siphon cooling system. Pure aluminum strips are inserted between the double-pancake coils and the pure aluminum plates gathering the strips lead to liquid hydrogen pipes. This scheme enables the strips and the plates to transfer the heat load in the coils to the cooling pipes and keep the coils at low temperature. On the other hand, we must consider that the strips generate eddy current loss which is strongly affected by a width of the strips. At the same time as the primary study of the SMES coils, we experimented on the thermo-siphon cooling system and investigated the relationship between the heat load and the heat extraction ability of the cooling system. The experiments showed that the cooling system could proficiently function. The estimation of eddy current loss from the particular cooling aluminum strips for the SMES in the ASPCS is reported with the results of the thermo-siphon driving experiment.

  11. Study on the Kinetics of Hydrogen Evolution in Aluminum Alloy Casting%铝合金铸造过程中析氢动力学研究

    Institute of Scientific and Technical Information of China (English)

    周迪生; 龙伟; 张恒华

    2012-01-01

    There always exists the phenomenon of hydrogen absorption in aluminum alloy melt. When melt temperature dropped, the solubility of hydrogen in melt decreased and the hydrogen precipitated from melt, which resulted in the blowhole and porosity in cast ingots or workpieces. Different mould preheating temperatures and decompression solidification were used in casting, the effect of mold preheating temperature on the diffusion rate and diffusion distance of hydrogen, the solidification pressure on the critical nucleation radius and growth of hydrogen bubble were analyzed. The results show that hydrogen diffusion and precipitation was inhibited at low mold preheating temperature, high solidification pressure produced large critical nucleation radius of hydrogen bubble and restrained the nucleation and growth of gas bubble. Hydrogen was dissolved in aluminum alloy melt and the comparability of the structure was improved in low mould preheating temperature and high solidification pressure.%铝及其合金在熔炼过程中,往往存在吸氢现象.当熔体温度下降时,氢在熔体中的溶解度下降,会从熔体中析出,导致铸锭或工件产生气孔、疏松等缺陷.采用不同模具预热温度浇注和减压凝固,分析了模具预热温度对熔体中氢扩散速度及扩散距离的影响,凝固压强对氢气泡临界形核半径和长大的影响.结果表明,低的模具预热温度抑制熔体中氢的扩散和析出;凝固压力大时氢气泡的临界形核半径较大,抑制气泡的形核和长大.所以低的模具预热温度和高的凝固压强可使氢固溶在铝合金中,从而提高其组织的致密性.

  12. Hydrogen bonded networks in formamide [HCONH2] ( = 1 − 10) clusters: A computational exploration of preferred aggregation patterns

    Indian Academy of Sciences (India)

    A Subha Mahadevi; Y Indra Neela; G Narahari Sastry

    2012-01-01

    Application of quantum chemical calculations is vital in understanding hydrogen bonding observed in formamide clusters, a prototype model for motifs found in protein secondary structure. DFT calculations have been performed on four arrangements of formamide clusters [HCONH2], ( = 1 − 10) linear, circular, helical and stacked forms. These studies reveal the maximum cooperativity in the stacked arrangement followed by the circular, helical and linear arrangements and is based on interaction energy per monomer. In all these arrangements as we increase cluster size, an increasing trend in cooperativity of hydrogen bonding is observed. Atoms-in-molecule analysis establishes the nature of bonding between the formamide monomers on the basis of electron density values obtained at the bond critical point (BCP).

  13. Hydrogen storage on metal oxide model clusters using density-functional methods and reliable van der Waals corrections.

    Science.gov (United States)

    Gebhardt, Julian; Viñes, Francesc; Bleiziffer, Patrick; Hieringer, Wolfgang; Görling, Andreas

    2014-03-21

    We investigate the capability of low-coordinated sites on small model clusters to act as active centers for hydrogen storage. A set of small magic clusters with the formula (XY)6 (X = Mg, Ba, Be, Zn, Cd, Na, Li, B and Y = O, Se, S, F, I, N) and a "drumlike" hexagonal shape showing a low coordination number of three was screened. Oxide clusters turned out to be the most promising candidates for hydrogen storage. For these ionic compounds we explored the suitability of different van der Waals (vdW) corrections to density-functional calculations by comparing the respective H2 physisorption profile to highly accurate CCSD(T) (Coupled Cluster Singles Doubles with perturbative Triples) calculations. The Grimme D3 vdW correction in combination with the Perdew-Burke-Ernzerhof exchange-correlation functional was found to be the best approach compared to CCSD(T) hydrogen physisorption profiles and is, therefore, suited to study these and other light metal oxide systems. H2 adsorption on sites of oxide model clusters is found to meet the adsorption energy criteria for H2 storage, with bond strengths ranging from 0.15 to 0.21 eV. Energy profiles and estimates of kinetic constants for the H2 splitting reaction reveal that H2 is likely to be adsorbed molecularly on sites of (MgO)6, (BaO)6, and (BeO)6 clusters, suggesting a rapid H2 uptake/release at operating temperatures and moderate pressures. The small mass of beryllium and magnesium makes such systems appealing for meeting the gravimetric criterion for H2 storage. PMID:24499810

  14. Size dependent transition to solid hydrogen and argon clusters probed via spectroscopy of PTCDA embedded in helium nanodroplets

    Science.gov (United States)

    Dvorak, Matthieu; Müller, Markus; Bünermann, Oliver; Stienkemeier, Frank

    2014-04-01

    Complexes made of either ArN or (H2)N clusters (N = 1-170) and a single PTCDA molecule (3,4,9,10-perylene-tetracarboxylic-dianhydride) are assembled inside helium droplets and spectroscopically studied via laser-induced fluorescence spectroscopy. The frequency shift and line-broadening are analyzed as a function of N and of the pick-up order of the PTCDA and cluster material in order to track liquid or solid properties of the clusters. For argon, the solid phase is observed for N > 10 above which the pick-up order dramatically influences the localization of the chromophore with respect to the Ar cluster. If the droplets are doped first with Ar, the chromophore remains on the surface of a solid cluster whereas for the reversed pick-up order the molecule is surrounded by an argon shell. At N < 10 wetting and the formation of the first solvation shell are observed. For para-hydrogen, a transition to the solid is observed at N ˜ 20-25, confirming previous theoretical predictions on the existence of a liquid-like phase at such small sizes, even below the bulk hydrogen freezing temperature.

  15. Discovery of relatively hydrogen-poor giants in the Galactic globular cluster Omega Centauri

    CERN Document Server

    Hema, B P

    2014-01-01

    In this letter, the results of our low-resolution spectroscopic survey for identifying the hydrogen-deficient (H-deficient) stars in the red giant sample of the globular cluster Omega Cen are reported. Spectral analyses were carried out on the basis of the strengths of (0,0) MgH band and the Mg b triplet. In our sample, four giants were identified with weak/absent MgH bands in their observed spectra not as expected for their well determined stellar parameters. The Mg abundances for the program stars were determined from subordinate lines of the MgH band to the blue of the Mg b triplet, using the spectral synthesis technique. The derived Mg abundances for the program stars were as expected for the red giants of Omega Cen (Norris & Da Costa 1995), except for the four identified candidates. Determined Mg abundances of these four candidates are much lower than that expected for the red giants of Omega Cen, and are unacceptable based on the strengths of Mg b triplet in their observed spectra. Hence, the plausi...

  16. On the Nature of Optical Excitations in Hydrogenated Aluminium Cluster Al4H6: A Theoretical Study

    CERN Document Server

    Sahu, Sridhar

    2010-01-01

    In this paper, we present a theoretical investigation of photoabsorption spectrum of the newly synthesized hydrogenated cluster of aluminium, Al4H6. The calculations are performed using both the wave-function-based semi-empirical method employing the complete neglect of differential overlap (CNDO) model accompanied, by large-scale configuration interaction (CI) technique, and the ab initio time-dependent density functional theory (TDDFT) approach. We carefully analyze the many-particle wave functions of various excited states up to 8 eV, and find that they are dominated by single-particle band to band excitations. This is in sharp contrast to bare aluminium clusters, in general, and Al4, in particular, whose optical excitations are plasmonic in nature. We attribute this difference to be a consequence of hydrogenation.

  17. Hydrogen bond network fluctuations in small (H2O)n clusters (n=8-12-24)

    Science.gov (United States)

    Masella, Michel; Flament, Jean-Pierre

    1999-09-01

    Molecular dynamic studies of three (H2O)n clusters (n=8-12-24) were performed using our recently developed many-body model TCPE [J. Chem. Phys. 107, 9105 (1997)] in the microcanonical ensemble. The trajectories were analyzed using a new structural local index derived from one of the many-body energetic term of TCPE. In the energy domain where the clusters are in a liquidlike state, a dynamical equilibrium is theoretically predicted to exist among molecules in the PHB1 and the PHB2 state (i.e., among molecules which one of their protons is involved in one hydrogen bond, the PHB1 state, and molecules which both of their protons are involved in two hydrogen bonds, the PHB2 state). The enthalpy and entropy changes corresponding to that equilibrium for the three clusters range from 0.75 to 1.10 kcal mol-1 and from -7 to -3.8 cal mol-1 K-1. Such an equilibrium between two species of hydrogen bonded molecules could be related to that experimentally observed in the case of liquid water at ambient conditions. In particular, the entropy changes corresponding to PHB2/PHB1 equilibrium in the case of the three clusters are very close to those experimentally reported for liquid water (about 6.6±0.5 cal mol-1 K-1), suggesting that the equilibrium observed in the case of liquid water could correspond to a PHB2/PHB1 equilibrium. The analysis of hydrogen bond networks in terms of PHBm states appears thus to be an encouraging way in characterising the dynamical properties of water systems.

  18. Synthesis and characterization of Co and Ni catalysts supported on alumina, synthesized from aluminum industry wastes and its use in the reforming reaction of ethanol, to hydrogen production

    International Nuclear Information System (INIS)

    Alumina was synthesized from aluminum anodizing process wastes through a process of mechanical and thermal treatment of calcination,1373 K with a heating rate of 5 K/min to 8h, obtaining a pure alumina of corundum type, a crystal size of 9.77 nm. This material is used as a microporous support and have elaborated Cobalt heterogeneous catalysts (CO3O4 / Al2O3) and Nickel (NiO/Al2O3) which were calcined at different temperatures (573 K, 773 K, 973 K, 1173 K). From these is produced hydrogen by ethenol catalytic reforming. Two techniques were used for driving the mixture EtOH:H2O (1:3) of starting gas. A first technique has involved trawling through boiling of the mixture. High percentages were obtained of hydrogen but to a lesser reaction time, consuming all starting reagent, the most efficient catalyst has been the CO2O3 / Al2O3 calcined at 973K with a production of H2 of 50% v/v as well as CH4 and CO of 10%v/v. The second type of starting reagent carryover has been mild heating at 333 K and nitrogen sweep, with the following results 11% v/v H2, 12% v/v CH4 and 7% v/v CO. Addition of ethanol conversion maximums of 76% and hydrogen yield of 29%, of the theoretical yield based on the ethanol consumed. (author)

  19. Clustering

    Directory of Open Access Journals (Sweden)

    Jinfei Liu

    2013-04-01

    Full Text Available DBSCAN is a well-known density-based clustering algorithm which offers advantages for finding clusters of arbitrary shapes compared to partitioning and hierarchical clustering methods. However, there are few papers studying the DBSCAN algorithm under the privacy preserving distributed data mining model, in which the data is distributed between two or more parties, and the parties cooperate to obtain the clustering results without revealing the data at the individual parties. In this paper, we address the problem of two-party privacy preserving DBSCAN clustering. We first propose two protocols for privacy preserving DBSCAN clustering over horizontally and vertically partitioned data respectively and then extend them to arbitrarily partitioned data. We also provide performance analysis and privacy proof of our solution..

  20. Site Selection and Pseudo-Clustering Behaviors of Alloying Elements in Aluminum-Lean γ-TiAl Intermetallics

    Science.gov (United States)

    Aykol, Muratahan; Mekhrabov, Amdulla O.; Vedat Akdeniz, M.

    2010-02-01

    Site selection and pseudo-clustering behaviors of the various M alloying elements in Al-lean Ti50Al50- X M X ( X = 1, 2, 3, 4, and 5 at. pct) intermetallics have been investigated by means of the ordering energy-dependent and long-range-order forced fast Monte Carlo simulation method. The ordering energies have been calculated via pseudopotential approximation in the electronic theory of alloys up to the third coordination sphere (CS) taking the anisotropic nature of tetragonal L10-type structure of γ-TiAl into account. It was shown that the site occupation characteristics of the M alloying element atoms in γ-TiAl intermetallics are governed by the relative magnitude of partial ordering energies between Ti-M and Al-M atomic pairs. However, the sign of partial ordering energies of these atomic pairs at the first CS becomes important in determining the clustering behavior and controls the dissolution modes of alloying element atoms in the γ-TiAl matrix. The pseudo-clustering behavior of alloying elements reveals three dissolution modes, namely, random dissolution (mode I), planar clustering in two dimensions (mode II), and three-dimensional (3-D) clustering (mode III) of the M occupant atoms.

  1. An ALMT1 gene cluster controlling aluminium (aluminum) tolerance at the Alt4 locus of rye (Secale cereale L.)

    Science.gov (United States)

    Aluminium toxicity is a major problem in agriculture worldwide. Among the cultivated triticeae, rye (Secale cereale L.) is one of the most Al-tolerant and represents an important potential source of Al-tolerance for improvement of wheat. The Alt4 Al-tolerance locus of rye contains a cluster of genes...

  2. Nitriles as directionally tolerant hydrogen bond acceptors: IR-UV ion depletion spectroscopy of benzenepropanenitrile and its hydrate clusters

    Science.gov (United States)

    Robertson, Patrick A.; Lobo, Isabella A.; Wilson, David J. D.; Robertson, Evan G.

    2016-09-01

    Benzenepropanenitrile (BPN) and its hydrate clusters are studied by R2PI and IR-UV ion-depletion spectroscopy in the CH/OH stretch regions, aided by theoretical calculations. A single water molecule binds to the terminal nitrile 'lone-pair' of the anti-BPN host, but there is also evidence for a side-type structure with OH donating to the nitrile π-electrons. In the gauche-BPN cluster, water is located at an intermediate angle that facilitates O⋯HC(ortho) interaction. A wide range of attachment angles is possible, as the intrinsic preference for linear hydrogen bonding is mediated by additional CH⋯O interactions that depend on molecular geometry near the nitrile group.

  3. MODIFICATION OF TRANSITION METAL CATIONS TO POLYMER- STABILIZED PLATINUM COLLOIDAL CLUSTERS IN ENANTIOSELECTIVE HYDROGENATION OF METHYL PYRUVATE

    Institute of Scientific and Technical Information of China (English)

    Xiao-ping Yan; Bao-lin He; Jie Zhang; Han-fan Liu

    2005-01-01

    Modification of transition metal cations to polymer-stabilized Pt colloidal clusters modified with cinchonidine was studied in enantioselective hydrogenation of methyl pyruvate. Compared to the enantiomeric excess (e.e.) value (71.4%)obtained without the presence of metal cations, obvious e.e. enhancement (up to 82.5%) was resulted from the addition of Zn2+ but with a certain decrease in activity. The reaction parameters in the presence of Zn2+ were also studied. It was found that the Pt colloidal catalysts in the presence of metal cations performed very differently from that in the absence of metal cations.

  4. Theoretical study of hydrogen adsorption on Ca-decorated C{sub 48}B{sub 12} clusters

    Energy Technology Data Exchange (ETDEWEB)

    Qi, Pengtang; Chen, Hongshan, E-mail: chenhs@nwnu.edu.cn [Key Laboratory of Atomic and Molecular Physics & Functional Materials of Gansu Province, College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070 (China)

    2015-09-15

    The hydrogen adsorption on Ca-decorated C{sub 48}B{sub 12} clusters is studied using density functional theory. The favorable binding site for Ca atom is the hexagonal C{sub 4}B{sub 2} rings. The strong interaction between Ca atoms and C{sub 48}B{sub 12} cluster hinders the aggregation of Ca atoms on the cluster surface. C{sub 48}B{sub 12} is an electron deficient system with a large electron affinity of 2.952 eV. The decorated Ca atoms transfer their electrons to the cluster easily. The net charges on the Ca atoms are in the range of 1.101 to 1.563 e. When H{sub 2} molecules approach the Ca atoms, they are moderately polarized and adsorbed around the Ca atoms in molecular form. The adsorption strength can reach up to 0.133 eV/H{sub 2}. Each Ca atom in the Ca-decorated C{sub 48}B{sub 12} complexes can adsorb three H{sub 2} molecules. The fully decorated C{sub 48}B{sub 12}Ca{sub 6} can hold up to 18 H{sub 2} molecules.

  5. 临朐县铝型材产业集群形成机制研究%Study on the Formation Mechanism of Aluminum Profile Industry Cluster in Linqu county

    Institute of Scientific and Technical Information of China (English)

    井东; 王慧

    2016-01-01

    产业集群作为当今世界普遍的经济现象,是促进地方经济发展、提高区域竞争力的重要生产组织形式。本文结合临朐县铝型材产业集群现状特征,从社会网络机制的角度具体分析了临朐县铝型材产业集群的形成机理。此研究对提高临朐县铝型材产业集群竞争力、促进铝型材产业集群快速发展具有一定的理论和实践意义。%Industrial cluster as a common economic phenomenon in today's world, is an important production organization form to promote local economic development and improve regional competitiveness. In combination with the Linqu County aluminum material industry cluster status and characteristics, this paper from two aspects: social network mechanism and transaction costs mechanism specific research Linqu aluminum industry cluster internal social network and cluster and the local community in close contact is of great significance to improve the cluster competitiveness, promote cluster development.

  6. Core-electron excitation and fragmentation processes of hydrogen bonded acetic-acid clusters in the oxygen K-edge region

    International Nuclear Information System (INIS)

    Research highlights: → Core-electron excitation spectra and fragmentation processes of acetic-acid clusters. → O1s(CO) → π*CO transitions shift by +0.37/-0.92 eV upon cluster formation. → Hydrogen-bond strength of RCOOH clusters determines the cluster-band shift. → We propose 'local-fragmentation' and 'low-energy MnX+ formation' mechanisms. → Fragmentation after electronic relaxation follows either of these two mechanisms. - Abstract: In order to examine inner-shell electron excitation and induced chemical processes of hydrogen-bonded (HB) molecular clusters, time-of-flight (TOF) fragment-mass and excitation spectra of deuterium-labeled acetic-acid-d (AAD) have been studied under the effusive and cluster beam conditions. With O1s(CO) → π*CO excitation at 532 eV, the TOF spectra of AAD clusters were compared with those of the free molecule. Transient intensity-enhancement of CH3+/CH3CO+ fragments and growth of mixed-cluster cations, MnD+/MnCH3CO+ could be ascertained in the cluster beams, where AAD molecule is denoted by M. Cluster-specific excitation spectra have been generated by monitoring partial-ion-yields of the mixed-cluster cations. Resonance transitions of O1s(CO/OH) → π*CO were found to shift in energy by +0.37/-0.92 eV upon cluster formation. The production of MnD+ can be attributed to a low-energy pathway of deuteron (proton) transfer following fast electronic decays within the clusters made up of a stable dimer-unit with doubly-bridged HBs. The CH3+/CH3CO+ intensity variation in beam stagnation pressure clearly shows that a local-fragmentation mechanism as previously proposed is also applicable to the fragmentation processes of the small AAD clusters.

  7. Controlling Ethylene Hydrogenation Reactivity on Pt13 Clusters by Varying the Stoichiometry of the Amorphous Silica Support.

    Science.gov (United States)

    Crampton, Andrew S; Rötzer, Marian D; Schweinberger, Florian F; Yoon, Bokwon; Landman, Uzi; Heiz, Ueli

    2016-07-25

    Ethylene hydrogenation was investigated on size-selected Pt13 clusters supported on three amorphous silica (a-SiO2 ) thin films with different stoichiometries. Activity measurements of the reaction at 300 K revealed that on a silicon-rich and a stoichiometric film, Pt13 exhibits a similar activity to that of Pt(111), in line with the known structure insensitivity of the reaction. On an oxygen-rich film, a threefold increased rate was measured. Pulsing ethylene at 400 K, then measuring the activity at 300 K, resulted in complete loss of activity on the silicon-rich surface compared to only marginal losses on the other surfaces. The measured reactivity trends correlate with charging characteristics of a Pt13 cluster on the SiO2 films, predicted through first-principle calculations. The results reveal that the stoichiometry-dependent charging by the support can be used to tune the selectivity of reaction pathways during a catalytic hydrogenation reaction. PMID:27356301

  8. Isotope dependent, temperature regulated, energy repartitioning in a low-barrier, short-strong hydrogen bonded cluster

    International Nuclear Information System (INIS)

    We investigate and analyze the vibrational properties, including hydrogen/deuterium isotope effects, in a fundamental organic hydrogen bonded system using multiple experimental (infrared multiple photon dissociation and argon-tagged action spectroscopy) and computational techniques. We note a qualitative difference between the two experimental results discussed here and employ ab initio molecular dynamics simulations to explain these results. A deeper understanding of the differences between the isotopically labeled systems arises from an analysis of the simulated cluster spectroscopy and leads to a system-bath coupling interpretation. Specifically, when a few active modes, involving the shared hydrogen/deuterium stretch, are identified and labeled as “system,” with all other molecular vibrational modes being identified as “bath” modes, we find critical differences in the coupling between the system modes for the shared proton and shared deuteron cases. These differences affect the energy repartitioning between these modes resulting in a complex spectral evolution as a function of temperature. Furthermore, intensity borrowing across modes that are widely distributed in the frequency domain plays an important role on the simulated spectra

  9. Aluminum-Scandium Alloys: Material Characterization, Friction Stir Welding, and Compatibility With Hydrogen Peroxide (MSFC Center Director's Discretionary Fund Final Report, Proj. No. 04-14)

    Science.gov (United States)

    Lee, J. A.; Chen, P. S.

    2004-01-01

    This Technical Memorandum describes the development of several high-strength aluminum (Al) alloys that are compatible with hydrogen peroxide (H2O2) propellant for NASA Hypersonic-X (Hyper-X) vehicles fuel tanks and structures. The yield strengths for some of these Al-magnesium-based alloys are more than 3 times stronger than the conventional 5254-H112 Al alloy, while maintaining excellent H2O2 compatibility similar to class 1 5254 alloy. The alloy development strategy is to add scandium, zirconium, and other transitional metals with unique electrochemical properties, which will not act as catalysts, to decompose the highly concentrated 90 percent H2O2. Test coupons are machined from sheet metals for H2O2 long-term exposure testing and mechanical properties testing. In addition, the ability to weld the new alloys using friction stir welding has also been explored. The new high-strength alloys could represent an enabling material technology for Hyper-X vehicles, where flight weight reduction is a critical requirement.

  10. Li修饰的C24团簇的储氢性能∗%Hydrogen storage prop erties of Li-decorated C24 clusters

    Institute of Scientific and Technical Information of China (English)

    祁鹏堂; 陈宏善

    2015-01-01

    Hydrogen is considered as a potentially ideal substitution for fossil fuels in the future sustainable energy system because it is an abundant, clean and renewable energy carrier. A safe, efficient and economic storage method is the crucial prerequistite and the biggest challenge for the wide scale use of hydrogen. The nanomaterial is one of the most promising hydrogen storage materials because of its high surface to volume ratio, unique electronic structure and novel chemical and physical properties. It has been demonstrated that pristine nanostructures are not suitable for hydrogen storage, since they interact weakly with hydrogen molecule and their hydrogen storage density is very low. However, the hydrogen storage capacity of the nanostructures can be significantly enhanced through substitutional doping or decoration by metal atoms. Using density functional theory, we investigate the properties of hydrogen adsorption on Li-decorated C24clusters. Results show that the preferred binding site for Li atom is the pentagonal rings. The interaction of Li atoms with the clusters is stronger than that among Li atoms, thus hindering effectively aggregation of Li atoms on the surface of the cluster. The decorated Li atoms are positively charged due to electron transfer from Li to C atoms. When H2 molecules approach Li atoms, they are moderately polarized under the electric field, and adsorbed around the Li atoms in molecular form. Each Li atom in the Li-decorated C24 complexes can adsorb two to three H2 molecules. The H–H bond lengths of the adsorbed H2 molecules are slightly stretched. The average adsorption energies are in the range of 0.08 to 0.13 eV/H2, which are intermediate between physisorption and chemisorption. C24Li6 can hold up to 12 H2 molecules, corresponding to a hydrogen uptake density of 6.8 wt%. This value exceeds the 2020 hydrogen storage target of 5.5 wt%proposed by the U. S. Department of Energy.

  11. Benchmarking ab initio binding energies of hydrogen-bonded molecular clusters based on FTIR spectroscopy

    DEFF Research Database (Denmark)

    Bork, Nicolai Christian; Du, Lin; Reiman, Heidi;

    2014-01-01

    Gibbs free binding energies in molecular complexes and clusters based on gas phase FTIR spectroscopy. The acetonitrile-HCl molecular complex is identified via its redshifted H-Cl stretching vibrational mode. We determine the Gibbs free binding energy, ΔG°295 K, to between 4.8 and 7.9 kJ mol(-1) and......Models of formation and growth of atmospheric aerosols are highly dependent on accurate cluster binding energies. These are most often calculated by ab initio electronic structure methods but remain associated with significant uncertainties. We present a computational benchmarking study of the...

  12. Hydrogen

    OpenAIRE

    John O’M. Bockris

    2011-01-01

    The idea of a “Hydrogen Economy” is that carbon containing fuels should be replaced by hydrogen, thus eliminating air pollution and growth of CO2 in the atmosphere. However, storage of a gas, its transport and reconversion to electricity doubles the cost of H2 from the electrolyzer. Methanol made with CO2 from the atmosphere is a zero carbon fuel created from inexhaustible components from the atmosphere. Extensive work on the splitting of water by bacteria shows that if wastes are used as the...

  13. The Hydrogen-Burning Limit in the Globular Cluster NGC 6397 {GO part}

    Science.gov (United States)

    King, Ivan

    2000-07-01

    We propose a major enhancement of an earlier study of the bottom of the main sequence of NGC 6397, the globular cluster with the smallest distance modulus. In earlier work the lowest part of the MS had been lost among the numerically dominant field stars; but accurate astrometry, over a baseline of a few years, now allows an excellent proper-motion separation of faint cluster stars from the field. The purified CMD follows the main sequence to its ``end" {i.e., the terminal plunge of the LF}. Just as the MS CMD gives a mass-radius relation, we show in a new way how this LF can give a mass-luminosity relation; both of these offer unique checks on theory. Our single WFPC2 field, however, had only a small number of stars in this range, too few to set firm restraints on the theories. We propose now to increase the number of such stars by a large factor by {1} getting 2nd-epoch images for three more fields in the cluster and {2}, in an accompanying AR proposal, remeasuring our previous images, and others that exist, to the deeper limit that we know can be attained. The number and the magnitudes of these faintest stars will greatly strengthen the constraints that we place on structure and atmosphere theories of lower-main-sequence stars. In each field we will also measure the anisotropy of internal stellar motions, which is predicted to be large in a collapsed-core cluster such as this one.

  14. The Hydrogen-Burning Limit in the Globular Cluster NGC 6397 {AR part}

    Science.gov (United States)

    King, Ivan

    2000-07-01

    We propose a major enhancement of an earlier study of the bottom of the main sequence of NGC 6397, the globular cluster with the smallest distance modulus. In earlier work the lowest part of the MS had been lost among the numerically dominant field stars; but accurate astrometry, over a baseline of a few years, now allows an excellent proper-motion separation of faint cluster stars from the field. The purified CMD follows the main sequence to its ``end" {i.e., the terminal plunge of the LF}. Just as the MS CMD gives a mass-radius relation, we show in a new way how this LF can give a mass-luminosity relation; both of these offer unique checks on theory. Our single WFPC2 field, however, had only a small number of stars in this range, too few to set firm restraints on the theories. We propose now to increase the number of such stars by a large factor by {1} getting 2nd-epoch images for three more fields in the cluster and, {2} in an accompanying AR proposal, remeasuring our previous images, and others that exist, to the deeper limit that we know can be attained. The number and the magnitudes of these faintest stars will greatly strengthen the constraints that we place on structure and atmosphere theories of lower-main-sequence stars. In each field we will also measure the anisotropy of internal stellar motions, which is predicted to be large in a collapsed-core cluster such as this one. as this one.

  15. Hydrogen

    Directory of Open Access Journals (Sweden)

    John O’M. Bockris

    2011-11-01

    Full Text Available The idea of a “Hydrogen Economy” is that carbon containing fuels should be replaced by hydrogen, thus eliminating air pollution and growth of CO2 in the atmosphere. However, storage of a gas, its transport and reconversion to electricity doubles the cost of H2 from the electrolyzer. Methanol made with CO2 from the atmosphere is a zero carbon fuel created from inexhaustible components from the atmosphere. Extensive work on the splitting of water by bacteria shows that if wastes are used as the origin of feed for certain bacteria, the cost for hydrogen becomes lower than any yet known. The first creation of hydrogen and electricity from light was carried out in 1976 by Ohashi et al. at Flinders University in Australia. Improvements in knowledge of the structure of the semiconductor-solution system used in a solar breakdown of water has led to the discovery of surface states which take part in giving rise to hydrogen (Khan. Photoelectrocatalysis made a ten times increase in the efficiency of the photo production of hydrogen from water. The use of two electrode cells; p and n semiconductors respectively, was first introduced by Uosaki in 1978. Most photoanodes decompose during the photoelectrolysis. To avoid this, it has been necessary to create a transparent shield between the semiconductor and its electronic properties and the solution. In this way, 8.5% at 25 °C and 9.5% at 50 °C has been reached in the photo dissociation of water (GaP and InAs by Kainthla and Barbara Zeleney in 1989. A large consortium has been funded by the US government at the California Institute of Technology under the direction of Nathan Lewis. The decomposition of water by light is the main aim of this group. Whether light will be the origin of the post fossil fuel supply of energy may be questionable, but the maximum program in this direction is likely to come from Cal. Tech.

  16. Hydrogenated uniform Pt clusters supported on porous CaMnO(3) as a bifunctional electrocatalyst for enhanced oxygen reduction and evolution.

    Science.gov (United States)

    Han, Xiaopeng; Cheng, Fangyi; Zhang, Tianran; Yang, Jingang; Hu, Yuxiang; Chen, Jun

    2014-04-01

    Hydrogenated uniform Pt clusters supported on porous CaMnO3 nanocomposites are synthesized and investigated as a new electrocatalytic material for oxygen reduction and evolution reactions. Due to the synergistic effect of Pt and CaMnO3, the nanocomposites exhibit superior activity and durability to the benchmark Pt/C catalyst.

  17. Selective Propene Epoxidation on Immobilized Au6-10 Clusters: The Effect of Hydrogen and Water on Activity and Selectivity

    DEFF Research Database (Denmark)

    Lee, Sungsik; Molina, Luis M.; López, María J.;

    2009-01-01

    Epoxidation made easy: Subnanometer gold clusters immobilized on amorphous alumina result in a highly active and selective catalyst for propene epoxidation. The highest selectivity is found for gas mixtures involving oxygen and water, thus avoiding the use of hydrogen. Ab initio DFT calculations ...

  18. Regeneration of aluminum hydride

    Science.gov (United States)

    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.

  19. Hydrogen bonding interaction of small acetaldehyde clusters studied with core-electron excitation spectroscopy in the oxygen K-edge region

    International Nuclear Information System (INIS)

    In order to examine inner-shell electron excitation spectra of molecular clusters with strong multipole interactions, excitation spectra and time-of-flight (TOF) fragment-mass spectra of small acetaldehyde (AA) clusters have been studied under the beam conditions. The TOF spectra at the oxygen K-edge region showed an intense growth of the protonated clusters, MnH+ (M=CH3CHO) in the cluster beams. 'cluster-specific' excitation spectra could be generated by monitoring partial-ion-yields of the protonated clusters. The most intense band of O1s→π*CO was found to shift to a higher energy by 0.15 eV relative to the monomer band upon clusterization. X-ray absorption spectra (XAS) were also calculated for the representative dimer configurations using a computer modelling program based on the density functional theory. The XAS prediction for the most stable (non-planar) configuration was found to give a close comparison with the cluster-band shift observed. The band shift was interpreted as being due to the HOMO-LUMO interaction within the complex where a contribution of vibrationally blue-shifting hydrogen bonding could be identified.

  20. Experimental and theoretical investigations of energy transfer and hydrogen-bond breaking in small water and HCl clusters.

    Science.gov (United States)

    Samanta, Amit K; Czakó, Gábor; Wang, Yimin; Mancini, John S; Bowman, Joel M; Reisler, Hanna

    2014-08-19

    Water is one of the most pervasive molecules on earth and other planetary bodies; it is the molecule that is searched for as the presumptive precursor to extraterrestrial life. It is also the paradigm substance illustrating ubiquitous hydrogen bonding (H-bonding) in the gas phase, liquids, crystals, and amorphous solids. Moreover, H-bonding with other molecules and between different molecules is of the utmost importance in chemistry and biology. It is no wonder, then, that for nearly a century theoreticians and experimentalists have tried to understand all aspects of H-bonding and its influence on reactivity. It is somewhat surprising, therefore, that several fundamental aspects of H-bonding that are particularly important for benchmarking theoretical models have remained unexplored experimentally. For example, even the binding strength between two gas-phase water molecules has never been determined with sufficient accuracy for comparison with high-level electronic structure calculations. Likewise, the effect of cooperativity (nonadditivity) in small H-bonded networks is not known with sufficient accuracy. An even greater challenge for both theory and experiment is the description of the dissociation dynamics of H-bonded small clusters upon acquiring vibrational excitation. This is because of the long lifetimes of many clusters, which requires running classical trajectories for many nanoseconds to achieve dissociation. In this Account, we describe recent progress and ongoing research that demonstrates how the combined and complementary efforts of theory and experiment are enlisted to determine bond dissociation energies (D0) of small dimers and cyclic trimers of water and HCl with unprecedented accuracy, describe dissociation dynamics, and assess the effects of cooperativity. The experimental techniques rely on IR excitation of H-bonded X-H stretch vibrations, measuring velocity distributions of fragments in specific rovibrational states, and determining product

  1. Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H2O)n, n = 8, 20 and 24

    Energy Technology Data Exchange (ETDEWEB)

    Iwata, Suehiro; Akase, Dai; Aida, Misako; Xantheas, Sotiris S.

    2016-08-04

    The relative stability and the characteristics of the hydrogen bond networks in the cubic cages of (H2O)8, dodecahedral cages of (H2O)20,and tetrakaidodecahedral cages of (H2O)24 are studied. The charge-transfer and dispersion interaction terms of every pair of the hydrogen bonds are evaluated by using the perturbation theory based on the locally-projected molecular orbital (LPMO PT). Every water molecule and every hydrogen-bonded pair in polyhedral clusters are classified by the types of the adjacent molecules and hydrogen bonds. The relative binding energies among the polyhedral clusters are grouped by these classifications. The necessary condition for the stable conformers and the rules of the ordering of the relative stability among the isomers are derived from the analysis. The O–O distances and the pair-wise charge-transfer terms are dependent not only on the types of the hydrogen donor and acceptor waters but also on the types of the adjacent waters. This dependence is analyzed with Mulliken’s charge-transfer theory. The work is partially supported by the Grant-in-Aid for Science Research of JSPS (SI, DA, MA). SSX was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Battelle operates the Pacific Northwest National Laboratory for the US Department of Energy.

  2. Pd clusters supported on amorphous, low-porosity carbon spheres for hydrogen production from formic acid.

    Science.gov (United States)

    Bulushev, Dmitri A; Bulusheva, Lyubov G; Beloshapkin, Sergey; O'Connor, Thomas; Okotrub, Alexander V; Ryan, Kevin M

    2015-04-29

    Amorphous, low-porosity carbon spheres on the order of a few micrometers in size were prepared by carbonization of squalane (C30H62) in supercritical CO2 at 823 K. The spheres were characterized and used as catalysts' supports for Pd. Near-edge X-ray absorption fine structure studies of the spheres revealed sp(2) and sp(3) hybridized carbon. To activate carbons for interaction with a metal precursor, often oxidative treatment of a support is needed. We showed that boiling of the obtained spheres in 28 wt % HNO3 did not affect the shape and bulk structure of the spheres, but led to creation of a considerable amount of surface oxygen-containing functional groups and increase of the content of sp(2) hybridized carbon on the surface. This carbon was seen by scanning transmission electron microscopy in the form of waving graphene flakes. The H/C atomic ratio in the spheres was relatively high (0.4) and did not change with the HNO3 treatment. Palladium was deposited by impregnation with Pd acetate followed by reduction in H2. This gave uniform Pd clusters with a size of 2-4 nm. The Pd supported on the original C spheres showed 2-3 times higher catalytic activity in vapor phase formic acid decomposition and higher selectivity for H2 formation (98-99%) than those for the catalyst based on the HNO3 treated spheres. Using of such low-porosity spheres as a catalyst support should prevent mass transfer limitations for fast catalytic reactions.

  3. Mass analyzed threshold ionization of hydrogen bonded clusters of biological molecules: the 3-methylindole·C6H6 complex

    International Nuclear Information System (INIS)

    The mass analyzed threshold ionization (MATI) technique has been used for measuring the adiabatic ionization energy of the 3-methylindole·C6H6 cluster (58 018 cm-1) and the binding energies in its ground ionic (4448 cm-1) and ground neutral state (1775 cm-1). We compare our results with those recently obtained for the 3-methylindole·H2O and the indole·C6H6 cluster. The small influence of methylation on the binding energies confirms the π-hydrogen bonding character in the 3-methylindole·C6H6 complex

  4. Selective propene epoxidation on immobilized Au{sub 6-10} clusters : the effect of hydrogen and water on activity and selectivity.

    Energy Technology Data Exchange (ETDEWEB)

    Lee, S.; Molina, J. M.; Lopez, M. J.; Alonso, J. A.; Hammer, B.; Lee, B.; Siefert, S.; Winans, R. W.; Elam, J. W.; Pellin, M. J.; Vajda, S.; Univ. de Valladolid; Univ. of Aarhus

    2009-01-01

    Subnanometer gold clusters immobilized on amorphous alumina result in a highly active and selective catalyst for propene epoxidation. The highest selectivity is found for gas mixtures involving oxygen and water, thus avoiding the use of hydrogen. Ab initio DFT calculations are used to identify key reaction intermediates and reaction pathways. The results confirm the high catalyst activity owing to the formation of propene oxide metallacycles. Al green, Au yellow, O red, and C gray.

  5. Luminescent properties of aluminum hydride

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-10-15

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

  6. Hydrogen activation, diffusion, and clustering on CeO{sub 2}(111): A DFT+U study

    Energy Technology Data Exchange (ETDEWEB)

    Fernández-Torre, Delia [Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid (Spain); Instituto de Estructura de la Materia, CSIC, C/ Serrano 121, E-28006 Madrid (Spain); Carrasco, Javier [CIC Energigune, Albert Einstein 48, 01510 Miñano, Álava (Spain); Instituto de Catálisis y Petroleoquímica, CSIC, C/ Marie Curie 2, E-28049 Madrid (Spain); Ganduglia-Pirovano, M. Verónica [Instituto de Catálisis y Petroleoquímica, CSIC, C/ Marie Curie 2, E-28049 Madrid (Spain); Pérez, Rubén, E-mail: ruben.perez@uam.es [Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid (Spain); Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, E-28049 Madrid (Spain)

    2014-07-07

    We present a comprehensive density functional theory+U study of the mechanisms underlying the dissociation of molecular hydrogen, and diffusion and clustering of the resulting atomic species on the CeO{sub 2}(111) surface. Contrary to a widely held view based solely on a previous theoretical prediction, our results show conclusively that H{sub 2} dissociation is an activated process with a large energy barrier ∼1.0 eV that is not significantly affected by coverage or the presence of surface oxygen vacancies. The reaction proceeds through a local energy minimum – where the molecule is located close to one of the surface oxygen atoms and the H–H bond has been substantially weaken by the interaction with the substrate –, and a transition state where one H atom is attached to a surface O atom and the other H atom sits on-top of a Ce{sup 4+} ion. In addition, we have explored how several factors, including H coverage, the location of Ce{sup 3+} ions as well as the U value, may affect the chemisorption energy and the relative stability of isolated OH groups versus pair and trimer structures. The trimer stability at low H coverages and the larger upward relaxation of the surface O atoms within the OH groups are consistent with the assignment of the frequent experimental observation by non-contact atomic force and scanning tunneling microscopies of bright protrusions on three neighboring surface O atoms to a triple OH group. The diffusion path of isolated H atoms on the surface goes through the adsorption on-top of an oxygen in the third atomic layer with a large energy barrier of ∼1.8 eV. Overall, the large energy barriers for both, molecular dissociation and atomic diffusion, are consistent with the high activity and selectivity found recently in the partial hydrogenation of acetylene catalyzed by ceria at high H{sub 2}/C{sub 2}H{sub 2} ratios.

  7. Hydrogen-bonded ring closing and opening of protonated methanol clusters H(+)(CH3OH)(n) (n = 4-8) with the inert gas tagging.

    Science.gov (United States)

    Li, Ying-Cheng; Hamashima, Toru; Yamazaki, Ryoko; Kobayashi, Tomohiro; Suzuki, Yuta; Mizuse, Kenta; Fujii, Asuka; Kuo, Jer-Lai

    2015-09-14

    The preferential hydrogen bond (H-bond) structures of protonated methanol clusters, H(+)(MeOH)n, in the size range of n = 4-8, were studied by size-selective infrared (IR) spectroscopy in conjunction with density functional theory calculations. The IR spectra of bare clusters were compared with those with the inert gas tagging by Ar, Ne, and N2, and remarkable changes in the isomer distribution with the tagging were found for clusters with n≥ 5. The temperature dependence of the isomer distribution of the clusters was calculated by the quantum harmonic superposition approach. The observed spectral changes with the tagging were well interpreted by the fall of the cluster temperature with the tagging, which causes the transfer of the isomer distribution from the open and flexible H-bond network types to the closed and rigid ones. Anomalous isomer distribution with the tagging, which has been recently found for protonated water clusters, was also found for H(+)(MeOH)5. The origin of the anomaly was examined by the experiments on its carrier gas dependence. PMID:26235389

  8. Aluminum Hydroxide

    Science.gov (United States)

    ... penicillamine (Cuprimine, Depen), prednisone (Deltasone, Orasone), products containing iron, tetracycline (Sumycin, Tetracap, and others), ticlopidine (Ticlid), and vitamins.be aware that aluminum hydroxide may interfere with other medicines, making them less ...

  9. Tracking Rh atoms in Zeolite HY: First Steps of Metal Cluster Formation and Influence of Metal Nuclearity on Catalysis of Ethylene Hydrogenation and Ethylene Dimerization

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Dong; Xu, Pinghong; Browning, Nigel D.; Gates, Bruce C.

    2016-07-07

    The initial steps of rhodium cluster formation from zeolite-supported mononuclear Rh(C2H4)2 complexes in H2 at 373 K and 1 bar were investigated by infrared and extended X-ray absorption fine structure spectroscopies and scanning transmission electron microscopy (STEM). The data show that ethylene ligands on the rhodium react with H2 to give supported rhodium hydrides and trigger the formation of rhodium clusters. STEM provided the first images of the smallest rhodium clusters (Rh2) and their further conversion into larger clusters. The samples were investigated in a plug-flow reactor as catalysts for the conversion of ethylene + H2 in a molar ratio of 4:1 at 1 bar and 298 K, with the results showing how the changes in catalyst structure affect the activity and selectivity; the rhodium clusters are more active for hydrogenation of ethylene than the single-site complexes, which are more selective for dimerization of ethylene to give butenes

  10. Cooperative effects and strengths of hydrogen bonds in open-chain cis-triaziridine clusters (n = 2-8): a DFT investigation.

    Science.gov (United States)

    Song, Hua-Jie; Xiao, He-Ming; Dong, Hai-Shan; Zhu, Wei-Hua

    2006-02-16

    We employ DFT/B3LYP method to investigate linear open-chain clusters (n = 2-8) of the cis-triaziridine molecule that is a candidate molecule for high energy density materials (HEDM). Our calculations indicate that the pervasive phenomena of cooperative effects are observed in the clusters of n = 3-8, which are reflected in changes in lengths of N...H hydrogen bonds, stretching frequencies, and intensities of N-H bonds, dipole moments, and charge transfers as cluster size increases. The n(N) --> sigma*(N-H) interactions, i.e., the charge transfers from lone pairs (n(N)) of the N atoms into antibonds (sigma*) of the N-H bonds acting as H-donors, can be used to explain the observed cooperative phenomena. The approaches based upon natural bond orbital (NBO) method and theory of atoms in molecule (AIM) to evaluating N...H strengths are found to be equivalent. In the process of N...H bonding, cooperative nature of n(N) --> sigma*(N-H) interactions promotes formation of stronger N...H bonds as reflected in increases in the capacities of cis-triaziridine clusters to concentrate electrons at the bond critical points of N...H bonds. The calculated nonadditive energies also show that the cooperative effects due to n(N) --> sigma*(N-H) interactions indeed provide additional stabilities for the clusters. PMID:16466259

  11. Tracking Rh Atoms in Zeolite HY: First Steps of Metal Cluster Formation and Influence of Metal Nuclearity on Catalysis of Ethylene Hydrogenation and Ethylene Dimerization.

    Science.gov (United States)

    Yang, Dong; Xu, Pinghong; Browning, Nigel D; Gates, Bruce C

    2016-07-01

    The initial steps of rhodium cluster formation from zeolite-supported mononuclear Rh(C2H4)2 complexes in H2 at 373 K and 1 bar were investigated by infrared and extended X-ray absorption fine structure spectroscopies and scanning transmission electron microscopy (STEM). The data show that ethylene ligands on the rhodium react with H2 to give supported rhodium hydrides and trigger the formation of rhodium clusters. STEM provided the first images of the smallest rhodium clusters (Rh2) and their further conversion into larger clusters. The samples were investigated in a plug-flow reactor as catalysts for the conversion of ethylene + H2 in a molar ratio of 4:1 at 1 bar and 298 K, with the results showing how the changes in catalyst structure affect the activity and selectivity; the rhodium clusters are more active for hydrogenation of ethylene than the single-site complexes, which are more selective for dimerization of ethylene to give butenes. PMID:27315020

  12. Hydride mobility in trinuclear sulfido clusters with the core [Rh3(μ-H)(μ3-S)2]: molecular models for hydrogen migration on metal sulfide hydrotreating catalysts.

    Science.gov (United States)

    Jiménez, M Victoria; Lahoz, Fernando J; Lukešová, Lenka; Miranda, José R; Modrego, Francisco J; Nguyen, Duc H; Oro, Luis A; Pérez-Torrente, Jesús J

    2011-07-11

    The treatment of [{Rh(μ-SH){P(OPh)(3)}(2)}(2)] with [{M(μ-Cl)(diolef)}(2)] (diolef=diolefin) in the presence of NEt(3) affords the hydrido-sulfido clusters [Rh(3)(μ-H)(μ(3)-S)(2)(diolef){P(OPh)(3)}(4)] (diolef=1,5-cyclooctadiene (cod) for 1, 2,5-norbornadiene (nbd) for 2, and tetrafluorobenzo[5,6]bicyclo[2.2.2]octa-2,5,7-triene (tfb) for 3) and [Rh(2)Ir(μ-H)(μ(3)-S)(2)(cod){P(OPh)(3)}(4)] (4). Cluster 1 can be also obtained by treating [{Rh(μ-SH){P(OPh)(3)}(2)}(2)] with [{Rh(μ-OMe)(cod)}(2)], although the main product of the reaction with [{Ir(μ-OMe)(cod)}(2)] was [RhIr(2)(μ-H)(μ(3)-S)(2)(cod)(2){P(OPh)(3)}(2)] (5). The molecular structures of clusters 1 and 4 have been determined by X-ray diffraction methods. The deprotonation of a hydrosulfido ligand in [{Rh(μ-SH)(CO)(PPh(3))}(2)] by [M(acac)(diolef)] (acac=acetylacetonate) results in the formation of hydrido-sulfido clusters [Rh(3)(μ-H)(μ(3)-S)(2)(CO)(2) (diolef)(PPh(3))(2)] (diolef=cod for 6, nbd for 7) and [Rh(2)Ir(μ-H)(μ(3)-S)(2)(CO)(2)(cod)(PPh(3))(2)] (8). Clusters 1-3 and 5 exist in solution as two interconverting isomers with the bridging hydride ligand at different edges. Cluster 8 exists as three isomers that arise from the disposition of the PPh(3) ligands in the cluster (cis and trans) and the location of the hydride ligand. The dynamic behaviour of clusters with bulky triphenylphosphite ligands, which involves hydrogen migration from rhodium to sulfur with a switch from hydride to proton character, is significant to understand hydrogen diffusion on the surface of metal sulfide hydrotreating catalysts. PMID:21633978

  13. Deletion of a gene cluster for [Ni-Fe] hydrogenase maturation in the anaerobic hyperthermophilic bacterium Caldicellulosiruptor bescii identifies its role in hydrogen metabolism.

    Science.gov (United States)

    Cha, Minseok; Chung, Daehwan; Westpheling, Janet

    2016-02-01

    The anaerobic, hyperthermophlic, cellulolytic bacterium Caldicellulosiruptor bescii grows optimally at ∼80 °C and effectively degrades plant biomass without conventional pretreatment. It utilizes a variety of carbohydrate carbon sources, including both C5 and C6 sugars, released from plant biomass and produces lactate, acetate, CO2, and H2 as primary fermentation products. The C. bescii genome encodes two hydrogenases, a bifurcating [Fe-Fe] hydrogenase and a [Ni-Fe] hydrogenase. The [Ni-Fe] hydrogenase is the most widely distributed in nature and is predicted to catalyze hydrogen production and to pump protons across the cellular membrane creating proton motive force. Hydrogenases are the key enzymes in hydrogen metabolism and their crystal structure reveals complexity in the organization of their prosthetic groups suggesting extensive maturation of the primary protein. Here, we report the deletion of a cluster of genes, hypABFCDE, required for maturation of the [Ni-Fe] hydrogenase. These proteins are specific for the hydrogenases they modify and are required for hydrogenase activity. The deletion strain grew more slowly than the wild type or the parent strain and produced slightly less hydrogen overall, but more hydrogen per mole of cellobiose. Acetate yield per mole of cellobiose was increased ∼67 % and ethanol yield per mole of cellobiose was decreased ∼39 %. These data suggest that the primary role of the [Ni-Fe] hydrogenase is to generate a proton gradient in the membrane driving ATP synthesis and is not the primary enzyme for hydrogen catalysis. In its absence, ATP is generated from increased acetate production resulting in more hydrogen produced per mole of cellobiose.

  14. Structural, electronic, and magnetic properties of boron cluster anions doped with aluminum:BnAlˉ (2 ≤ n ≤ 9)

    Institute of Scientific and Technical Information of China (English)

    Gu Jian-Bing; Yang Xiang-Dong; Wang Huai-Qian; Li Hui-Fang

    2012-01-01

    The geometrical structures,relative stabilities,electronic and magnetic properties of small BnAlˉ (2 ≤ n ≤ 9) clusters are systematically investigated by using the first-principles density functional theory.The results show that the Al atom prefers to reside either on the outer-side or above the surface,but not in the centre of the clusters in all of the most stable BnAlˉ (2 ≤ n ≤ 9) isomers and the one excess electron is strong enough to modify the geometries of some specific sizes of the neutral clusters.All the results of the analysis for the fragmentation energies,the second-order difference of energies,and the highest occupied-lowest unoccupied molecular orbital energy gaps show that B4Alˉ and B8Alˉ clusters each have a higher relative stability.Especially,the B8Alˉ cluster has the most enhanced chemical stability.Furthermore,both the local magnetic moments and the total magnetic moments display a pronounced oddeven oscillation with the number of boron atoms,and the magnetic effects arise mainly from the boron atoms except for the B7Alˉ and B9Alˉ clusters.

  15. Cluster-assisted generation of multi-charged ions in nanosecond laser ionization of pulsed hydrogen sulfide beam at 1064 and 532 nm

    Institute of Scientific and Technical Information of China (English)

    Niu Dong-Mei; Li Hai-Yang; Luo Xiao-Lin; Liang Feng; Cheng Shuang; Li An-Lin

    2006-01-01

    The multi-charged sulfur ions of Sq+ (q ≤ 6) have been generated when hydrogen sulfide cluster beams are irradiated by a nanosecond laser of 1064 and 532 nm with an intensity of 1010 ~ 1012W·cm-2. S6+ is the dominant multicharged species at 1064 nm, while S4+, S3+ and S2+ ions are the main multi-charged species at 532 nm. A three-step model (i.e., multiphoton ionization triggering, inverse bremsstrahlung heating, electron collision ionizing) is proposed to explain the generation of these multi-charged ions at the laser intensity stated above. The high ionization level of the clusters and the increasing charge state of the ion products with increasing laser wavelength are supposed mainly due to the rate-limiting step, i.e., electron heating by absorption energy from the laser field via inverse bremsstrahlung, which is proportional to λ2, λ being the laser wavelength.

  16. Hydrogen evolution reaction catalyst

    Science.gov (United States)

    Subbaraman, Ram; Stamenkovic, Vojislav; Markovic, Nenad; Tripkovic, Dusan

    2016-02-09

    Systems and methods for a hydrogen evolution reaction catalyst are provided. Electrode material includes a plurality of clusters. The electrode exhibits bifunctionality with respect to the hydrogen evolution reaction. The electrode with clusters exhibits improved performance with respect to the intrinsic material of the electrode absent the clusters.

  17. Neutral hydrogen gas, past and future star formation in galaxies in and around the `Sausage' merging galaxy cluster

    Science.gov (United States)

    Stroe, Andra; Oosterloo, Tom; Röttgering, Huub J. A.; Sobral, David; van Weeren, Reinout; Dawson, William

    2015-09-01

    CIZA J2242.8+5301 (z = 0.188, nicknamed `Sausage') is an extremely massive (M200 ˜ 2.0 × 1015 M⊙), merging cluster with shock waves towards its outskirts, which was found to host numerous emission line galaxies. We performed extremely deep Westerbork Synthesis Radio Telescope H I observations of the `Sausage' cluster to investigate the effect of the merger and the shocks on the gas reservoirs fuelling present and future star formation (SF) in cluster members. By using spectral stacking, we find that the emission line galaxies in the `Sausage' cluster have, on average, as much H I gas as field galaxies (when accounting for the fact cluster galaxies are more massive than the field galaxies), contrary to previous studies. Since the cluster galaxies are more massive than the field spirals, they may have been able to retain their gas during the cluster merger. The large H I reservoirs are expected to be consumed within ˜0.75-1.0 Gyr by the vigorous SF and active galactic nuclei activity and/or driven out by the outflows we observe. We find that the star formation rate (SFR) in a large fraction of H α emission line cluster galaxies correlates well with the radio broad-band emission, tracing supernova remnant emission. This suggests that the cluster galaxies, all located in post-shock regions, may have been undergoing sustained SFR for at least 100 Myr. This fully supports the interpretation proposed by Stroe et al. and Sobral et al. that gas-rich cluster galaxies have been triggered to form stars by the passage of the shock.

  18. Neutral hydrogen gas, past and future star-formation in galaxies in and around the 'Sausage' merging galaxy cluster

    CERN Document Server

    Stroe, Andra; Rottgering, Huub J A; Sobral, David; van Weeren, Reinout; Dawson, William

    2015-01-01

    CIZA J2242.8+5301 ($z = 0.188$, nicknamed 'Sausage') is an extremely massive ($M_{200}\\sim 2.0 \\times 10^{15}M_\\odot$ ), merging cluster with shock waves towards its outskirts, which was found to host numerous emission-line galaxies. We performed extremely deep Westerbork Synthesis Radio Telescope HI observations of the 'Sausage' cluster to investigate the effect of the merger and the shocks on the gas reservoirs fuelling present and future star formation (SF) in cluster members. By using spectral stacking, we find that the emission-line galaxies in the 'Sausage' cluster have, on average, as much HI gas as field galaxies (when accounting for the fact cluster galaxies are more massive than the field galaxies), contrary to previous studies. Since the cluster galaxies are more massive than the field spirals, they may have been able to retain their gas during the cluster merger. The large HI reservoirs are expected to be consumed within $\\sim0.75-1.0$ Gyr by the vigorous SF and AGN activity and/or driven out by t...

  19. Rhodium based clusters for oxygen reduction and hydrogen oxidation in 0.5 M H2SO4, tolerant to methanol and carbon monoxide, respectively

    Energy Technology Data Exchange (ETDEWEB)

    Uribe-Godinez, J.; Jimenez-Sandoval, O.; Borja-Arco, E.; Altamirano-Gutierrez, A. [Centro de Investigacion y de Estudios Avanzados del Instituto Politecnico Nacional, Queritaro (Mexico); Castellanos, R.H. [Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada-Queretaro, Queretaro (Mexico)

    2008-07-01

    Rhodium (Rh6(CO)16) and novel Rh-based clusters were prepared using thermolysis techniques under different conditions in N2 and H2 reaction media, as well as in n-nonane, o-xylene, 1,2-dichlorobenzene and dimethylsulfoxide. The clusters were used as novel electrocatalysts for oxygen reduction reaction (ORR) in the absence and presence of 1.0 and 2.0 M methanol solutions. The catalysts were also used for hydrogen oxidation reaction (HOR) with pure hydrogen (H2) and in the presence of carbon monoxide (CO). Rotating disk electrode measurements were used to analyze the materials. The study showed that the electrocatalyst support ratio plays a significant role in the electrochemical behaviour of the materials. Rh6(CO)16 and Rh2(1,2-DCB) presented the best electrocatalytic behaviour for ORR and HOR in the absence and presence of methanol and CO. The study demonstrated that the rhodium-based materials are capable of performing ORR and HOR while being tolerant of both methanol and CO. 3 refs., 3 figs.

  20. Fundamental studies of methanol synthesis from CO(2) hydrogenation on Cu(111), Cu clusters, and Cu/ZnO(0001).

    Science.gov (United States)

    Yang, Yixiong; Evans, Jaime; Rodriguez, Jose A; White, Michael G; Liu, Ping

    2010-09-01

    A combination of experimental and theoretical methods were employed to investigate the synthesis of methanol via CO(2) hydrogenation (CO(2) + 3H(2)--> CH(3)OH + H(2)O) on Cu(111) and Cu nanoparticle surfaces. High pressure reactivity studies show that Cu nanoparticles supported on a ZnO(0001[combining macron]) single crystal exhibit a higher catalytic activity than the Cu(111) planar surface. Complementary density functional theory (DFT) calculations of methanol synthesis were also performed for a Cu(111) surface and unsupported Cu(29) nanoparticles, and the results support a higher activity for Cu nanoparticles. The DFT calculations show that methanol synthesis on Cu surfaces proceeds through a formate intermediate and the overall reaction rate is limited by both formate and dioxomethylene hydrogenation. Moreover, the superior activity of the nanoparticle is associated with its fluxionality and the presence of low-coordinated Cu sites, which stabilize the key intermediates, e.g. formate and dioxomethylene, and lower the barrier for the rate-limiting hydrogenation process. The reverse water-gas-shift (RWGS) reaction (CO(2) + H(2)--> CO + H(2)O) was experimentally observed to compete with methanol synthesis and was also considered in our DFT calculations. In agreement with experiment, the rate of the RWGS reaction on Cu nanoparticles is estimated to be approximately 2 orders of magnitude faster than methanol synthesis at T = 573 K. The experiments and calculations also indicate that CO produced by the fast RWGS reaction does not undergo subsequent hydrogenation to methanol, but instead simply accumulates as a product. Methanol production from CO hydrogenation via the RWGS pathway is hindered by the first hydrogenation of CO to formyl, which is not stable and prefers to dissociate into CO and H atoms on Cu. Our calculated results suggest that the methanol yield over Cu-based catalysts could be improved by adding dopants or promoters which are able to stabilize formyl

  1. Aluminum-induced cell death of barley-root border cells is correlated with peroxidase- and oxalate oxidase-mediated hydrogen peroxide production.

    Science.gov (United States)

    Tamás, L; Budíková, S; Huttová, J; Mistrík, I; Simonovicová, M; Siroká, B

    2005-06-01

    The function of root border cells (RBC) during aluminum (Al) stress and the involvement of oxalate oxidase, peroxidase and H(2)O(2) generation in Al toxicity were studied in barley roots. Our results suggest that RBC effectively protect the barley root tip from Al relative to the situation in roots cultivated in hydroponics where RBC are not sustained in the area surrounding the root tip. The removal of RBC from Al-treated roots increased root growth inhibition, Al and Evans blue uptake, inhibition of RBC production, the level of dead RBC, peroxidase and oxalate oxidase activity and the production of H(2)O(2). Our results suggest that even though RBC actively produce active oxygen species during Al stress, their role in the protection of root tips against Al toxicity is to chelate Al in their dead cell body. PMID:15759117

  2. Aluminum-induced cell death of barley-root border cells is correlated with peroxidase- and oxalate oxidase-mediated hydrogen peroxide production.

    Science.gov (United States)

    Tamás, L; Budíková, S; Huttová, J; Mistrík, I; Simonovicová, M; Siroká, B

    2005-06-01

    The function of root border cells (RBC) during aluminum (Al) stress and the involvement of oxalate oxidase, peroxidase and H(2)O(2) generation in Al toxicity were studied in barley roots. Our results suggest that RBC effectively protect the barley root tip from Al relative to the situation in roots cultivated in hydroponics where RBC are not sustained in the area surrounding the root tip. The removal of RBC from Al-treated roots increased root growth inhibition, Al and Evans blue uptake, inhibition of RBC production, the level of dead RBC, peroxidase and oxalate oxidase activity and the production of H(2)O(2). Our results suggest that even though RBC actively produce active oxygen species during Al stress, their role in the protection of root tips against Al toxicity is to chelate Al in their dead cell body.

  3. 硫化氢缓解铝胁迫对水稻幼苗叶片抗氧化系统的调控%Alleviation of Exogenous Hydrogen Sulfide on Rice Seedlings to Aluminum Stress

    Institute of Scientific and Technical Information of China (English)

    孟丹; 安敏敏; 杨立明

    2015-01-01

    Hydrogen sulfide (H2S), an important signal molecular in plants, can alleviate the toxicity of metal stress to crops. In this study, the effects of H2 S donor NaHS alleviating AlCl3-induced stress were con-ducted in the leaves of rice seedlings. We examined the metabolic responses of rice seedlings to aluminum stress focusing on reactive oxygen species ( ROS) metabolism including superoxide dismutase and catalase ac-tivity. The observed enzyme activities were higher in aluminum-stressed seedlings than in control plants, NaHS decreased the activities of superoxide dismutase and catalase, and the contents of superoxide radical and hy-drogen peroxide. Taken together these results suggest that H2 S could regulate antioxidant system in rice seed-lings leading to the alleviation of iluminum stress.%硫化氢( H2 S)是植物体内重要的信号分子,可显著缓解重金属对水稻的毒害.以硫氢化钠(NaHS)作为硫化氢的供体,分别采用0.4 mmol/L NaHS,75μmol/L AlCl3,75μmol/L AlCl3+0.4 mmol/L NaHS处理水稻幼苗,测定H2 S对水稻幼苗内氧化还原系统的影响.结果表明,铝胁迫显著增加了水稻幼苗体内过氧化氢和超氧阴离子的含量,以及超氧化物歧化酶( SOD),过氧化氢酶( CAT)等活性氧清除酶系的活性,而施加H2 S供体NaHS显著降低了过氧化氢和超氧阴离子的含量,以及SOD和CAT的活性.

  4. Assembly of organic moiety with metal-oxide cluster to generate a new three dimensional supramolecular/hydrogen bonded network based on isopolymolybdate

    Indian Academy of Sciences (India)

    DONIA ZAMMEL; ICHRAF NAGAZI; AMOR HADDAD

    2016-07-01

    A new octa-molybdate formulated as (C₂H₆N₄)₂ [β-Mo₈O₂₆].4H₂O (1) has been isolated by conventional solution method and structurally characterized by single-crystal X-ray diffraction method, IR spectroscopy, UV-Vis absorption, thermogravimetric analysis and cyclic voltammetry. Compound 1 crystallizes in the Triclinic system, space group P-1 with unit cell dimensions, a = 8.348 (2)Å, b = 10.154 (2)Å, c = 10.823 (3)Å, α = 68.35◦ (2), β = 71.59◦ (2), γ= 78.55◦ (2), V = 805.5 (3)ų, and Z = 2. The crystal structure of 1 is built up from octa-molybdate [β-Mo₈O₂₆]⁴⁻ clusters connected through hydrogen-bonding interactions into a three-dimensional supramolecular network.

  5. Anticooperativity of FHF hydrogen bonds in clusters of the type F- × (HF)n, RF × (HF)n and XF × (HF)n, R = alkyl and X = H, Br, Cl, F

    Science.gov (United States)

    Kucherov, S. Yu.; Bureiko, S. F.; Denisov, G. S.

    2016-02-01

    Properties of twenty five hydrogen-bonded complexes, namely, F- × (HF)n (n = 1-6), RF × (HF)n (R = t-Bu, i-Pr, Et, Me; n = 1-3), XF × (HF)n (X = H, Br, Cl; n = 1-2), and FF…HF with the hydrogen bond energy varying in a wide range have been calculated using ab initio methods at the MP2/6-31++G** level. For the first time, the energies, geometrical parameters and vibrational frequencies are obtained for the series of clusters, where the bonding character changes from covalent to van der Waals on the variation of proton-acceptor ability of the base, and the energies are in the range of 45-1 kcal/mol. The mutual influence of multiple hydrogen bonds of F…HF type in clusters, in which a fluorine anion or an atom participates in hydrogen bond formation as the acceptor, is systematically investigated. The relative changes in the values of the considered parameters on the sequential addition of an HF molecule (anticooperativity) were determined. It was shown that non-additivity of the interaction is most strongly pronounced in the energy and vibrational frequency values, geometrical parameters of hydrogen bonds are less sensitive to the mutual influence. The anticooperative effect is more pronounced on the hydrogen bridge length R(F...F) than on the geometry of proton donor r(HF). The hydrogen bond formation and the increase of the number n of ligands lead to successive lengthening of the r(XF) bond adjacent to the hydrogen bridge. The length of an XF bond changes stronger on formation of each hydrogen bond than the HF bond length.

  6. Effects of co-implanted oxygen or aluminum atoms on hydrogen migration and damage structure in multiple-beam irradiated Al sub 2 O sub 3

    CERN Document Server

    Katano, Y; Yamamoto, S; Nakazawa, T; Yamaki, D; Noda, K

    2000-01-01

    Depth profiles of implanted H atoms were measured for single crystalline Al sub 2 O sub 3 samples irradiated at 923 K with dual or triple beams of 0.25 MeV H-, 0.6 MeV He-, 2.4 MeV O-ions or 2.6 MeV Al-ions. The peaks occur at 1.55 and 1.45 mu m in the depth profiles measured for the H + Al dual beam irradiation and H + O dual beam case, respectively. The ratio of the peak areas is over 4, which is much larger than the implanted H atom ratio of 1.1, indicating that implanted Al atoms suppress the mobility of H atoms. However, the ratio becomes almost 1 between the triple beam samples with H + He + O-ions and with H + He + Al-ions at comparable doses. The fact demonstrates that implanted He atoms overwhelm the effects of the implanted self-cation/anion excess atoms on the migration behaviors of implanted hydrogen and radiation produced point defects, with the resulting sluggish cavity growth observed.

  7. A study on aromatic C-H⋯X (X = N, O) hydrogen bonds in 1,2,4,5-tetrafluorobenzene clusters using infrared spectroscopy and ab initio calculations

    Science.gov (United States)

    Venkatesan, V.; Fujii, A.; Mikami, N.

    2005-06-01

    The (1:1) clusters of 1,2,4,5-tetrafluorobenzene (TFB) with CH 3CN, CH 3OCH 3, and NH 3 were studied both experimentally and computationally. Using fluorescence-detected infrared (FDIR) spectroscopy, the aromatic C-H⋯X (X = N, O) hydrogen bond formation in the clusters was directly evidenced by a low-frequency shift and intensity enhancement of the aromatic C-H stretching vibration in the TFB moiety. The molecular structures, stabilization energies, and vibrational frequencies of the clusters were computed at the MP2/6-31+G* level. The observed low-frequency shifts of the aromatic C-H stretch in the clusters correlate with the proton affinities of the acceptor molecules.

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

    Directory of Open Access Journals (Sweden)

    Jun-qin Wang

    2015-01-01

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

  9. Research on Sustainable Development of County Characteristic Industrial Clusters:Case of the Aluminum Processing Industrial Clusters in Gongyi%县域特色产业集群的可持续发展研究——以巩义市铝加工特色产业集群为例

    Institute of Scientific and Technical Information of China (English)

    王建业

    2012-01-01

    特色产业集群的发展是区域经济发展的关键动力,其研究应立足于区域经济的实际。巩义市特色产业集群众多,尤其是铝加工产业集群特点鲜明,发展速度很快,但是在其发展过程中也存在着不少的问题。因此,以巩义铝加工特色产业集群为例,在调研其发展现状的基础上,采用SWOT分析法,对其内部的优势、劣势以及外部的机会和威胁进行了分析,在此基础上提出了其可持续发展的策略。%The development of characteristic industrial clusters is the key driving force of regional economic development.The research of characteristic industrial clusters should combine with the actual of regional economy.There are a lot of characteristic industrial clusters in Gongyi.The aluminum processing industrial clusters has distinctive characteristics.It develops rapidly,but there are also a lot of problems in the course of its development.In the case of the aluminum processing industrial clusters in Gongyi,this paper analyzes the strengths,weaknesses,opportunities and threats of industrial cluster by using SWOT method,brings forward some suggestions of sustainable development.

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

    OpenAIRE

    Jun-qin Wang; Jian-feng Gao; Zhi-gang Wu; Guo-li Ou; Yu Wang

    2015-01-01

    The research on hydrogen generation and application has attracted widespread attention around the world. This paper is to demonstrate that sodium aluminum hydride can be synthesized under simple and mild reaction condition. Being activated through organics, aluminum powder reacts with hydrogen and sodium hydride to produce sodium aluminum hydride under atmospheric pressure. The properties and composition of the sample were characterized by FTIR, XRD, SEM, and so forth. The results showed that...

  11. An early response regulatory cluster induced by low temperature and hydrogen peroxide in seedlings of chilling-tolerant japonica rice

    Directory of Open Access Journals (Sweden)

    Jia Yulin

    2007-06-01

    Full Text Available Abstract Background Plants respond to low temperature through an intricately coordinated transcriptional network. The CBF/DREB-regulated network of genes has been shown to play a prominent role in freeze-tolerance of Arabidopsis through the process of cold acclimation (CA. Recent evidence also showed that the CBF/DREB regulon is not unique to CA but evolutionarily conserved between chilling-insensitive (temperate and chilling-sensitive (warm-season plants. In this study, the wide contrast in chilling sensitivity between indica and japonica rice was used as model to identify other regulatory clusters by integrative analysis of promoter architecture (ab initio and gene expression profiles. Results Transcriptome analysis in chilling tolerant japonica rice identified a subset of 121 'early response' genes that were upregulated during the initial 24 hours at 10°C. Among this group were four transcription factors including ROS-bZIP1 and another larger sub-group with a common feature of having as1/ocs-like elements in their promoters. Cold-induction of ROS-bZIP1 preceded the induction of as1/ocs-like element-containing genes and they were also induced by exogenous H2O2 at ambient temperature. Coordinated expression patterns and similar promoter architectures among the 'early response' genes suggest that they belong to a potential regulon (ROS-bZIP – as1/ocs regulatory module that responds to elevated levels of ROS during chilling stress. Cultivar-specific expression signatures of the candidate genes indicate a positive correlation between the activity of the putative regulon and genotypic variation in chilling tolerance. Conclusion A hypothetical model of an ROS-mediated regulon (ROS-bZIP – as1/ocs triggered by chilling stress was assembled in rice. Based on the current results, it appears that this regulon is independent of ABA and CBF/DREB, and that its activation has an important contribution in configuring the rapid responses of rice seedlings

  12. Shijiazhuang will Build the World’s Biggest Replacingcopper-with-aluminum Cable Production Base

    Institute of Scientific and Technical Information of China (English)

    2014-01-01

    <正>Shijiazhuang City will build the world’s biggest replacing-copper-with-aluminum cable production base,the annual output value can reach 100 billion yuan,in the future it will develop replacing-copper-with-aluminum highend industry cluster.This piece of news was learned by the reporter at the Rare Earth highiron Aluminum Alloy[Nonferrous Business Opportunity:Aluminum alloy door]Cable Conductor New Technology Application Seminar held at the provincial capital.

  13. Effect of Polar Environments on the Aluminum Oxide Shell Surrounding Aluminum Particles: Simulations of Surface Hydroxyl Bonding and Charge.

    Science.gov (United States)

    Padhye, Richa; Aquino, Adelia J A; Tunega, Daniel; Pantoya, Michelle L

    2016-06-01

    Density functional theory (DFT) calculations were performed to understand molecular variations on an alumina surface due to exposure to a polar environment. The analysis has strong implications for the reactivity of aluminum (Al) particles passivated by an alumina shell. Recent studies have shown a link between the carrier fluid used for Al powder intermixing and the reactivity of Al with fluorine containing reactive mixtures. Specifically, flame speeds show a threefold increase when polar liquids are used to intermix aluminum and fluoropolymer powder mixtures. It was hypothesized that the alumina lattice structure could be transformed due to hydrogen bonding forces exerted by the environment that induce modified bond distances and charges and influence reactivity. In this study, the alumina surface was analyzed using DFT calculations and model clusters as isolated systems embedded in polar environments (acetone and water). The conductor-like screening model (COSMO) was used to mimic environmental effects on the alumina surface. Five defect models for specific active -OH sites were investigated in terms of structures and vibrational -OH stretching frequencies. The observed changes of the surface OH sites invoked by the polar environment were compared to the bare surface. The calculations revealed a strong connection between the impact of carrier fluid polarity on the hydrogen bonding forces between the surface OH sites and surrounding species. Changes were observed in the OH characteristic properties such as OH distances (increase), atomic charges (increase), and OH stretching frequencies (decrease); these consequently improve OH surface reactivity. The difference between medium (acetone) and strong (water) polar environments was minimal in the COSMO approximation. PMID:27175545

  14. ALUMINUM BOX BUNDLING PRESS

    Directory of Open Access Journals (Sweden)

    Iosif DUMITRESCU

    2015-05-01

    Full Text Available In municipal solid waste, aluminum is the main nonferrous metal, approximately 80- 85% of the total nonferrous metals. The income per ton gained from aluminum recuperation is 20 times higher than from glass, steel boxes or paper recuperation. The object of this paper is the design of a 300 kN press for aluminum box bundling.

  15. Purification technology of molten aluminum

    Institute of Scientific and Technical Information of China (English)

    孙宝德; 丁文江; 疏达; 周尧和

    2004-01-01

    Various purification methods were explored to eliminate the dissolved hydrogen and nonmetallic inclusions from molten aluminum alloys. A novel rotating impeller head with self-oscillation nozzles or an electromagnetic valve in the gas circuit was used to produce pulse gas currents for the rotary impeller degassing method. Water simulation results show that the size of gas bubbles can be decreased by 10%-20% as compared with the constant gas current mode. By coating ceramic filters or particles with active flux or enamels, composite filters were used to filter the scrap A356 alloy and pure aluminum. Experimental results demonstrate that better filtration efficiency and operation performance can be obtained. Based on numerical calculations, the separation efficiency of inclusions by high frequency magnetic field can be significantly improved by using a hollow cylinder-like separator or utilizing the effects of secondary flow of the melt in a square separator. A multi-stage and multi-media purification platform based on these methods was designed and applied in on-line processing of molten aluminum alloys. Mechanical properties of the processed scrap A356 alloy are greatly improved by the composite purification.

  16. Graphene-aluminum nanocomposites

    International Nuclear Information System (INIS)

    Highlights: → We investigated the mechanical properties of aluminum and aluminum nanocomposites. → Graphene composite had lower strength and hardness compared to nanotube reinforcement. → Processing causes aluminum carbide formation at graphene defects. → The carbides in between grains is a source of weakness and lowers tensile strength. - Abstract: Composites of graphene platelets and powdered aluminum were made using ball milling, hot isostatic pressing and extrusion. The mechanical properties and microstructure were studied using hardness and tensile tests, as well as electron microscopy, X-ray diffraction and differential scanning calorimetry. Compared to the pure aluminum and multi-walled carbon nanotube composites, the graphene-aluminum composite showed decreased strength and hardness. This is explained in the context of enhanced aluminum carbide formation with the graphene filler.

  17. Graphene-aluminum nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Bartolucci, Stephen F., E-mail: stephen.bartolucci@us.army.mil [U.S. Army Benet Laboratories, Armaments Research Development and Engineering Center, Watervliet, NY 12189-4000 (United States); Paras, Joseph [U.S. Army Benet Laboratories, Armaments Research Development and Engineering Center, Watervliet, NY 12189-4000 (United States); Rafiee, Mohammad A. [Department of Mechanical Engineering and Materials Science, Rice University, Houston, TX 77005 (United States); Rafiee, Javad [Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States); Lee, Sabrina; Kapoor, Deepak [U.S. Army Benet Laboratories, Armaments Research Development and Engineering Center, Watervliet, NY 12189-4000 (United States); Koratkar, Nikhil, E-mail: koratn@rpi.edu [Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States)

    2011-10-15

    Highlights: {yields} We investigated the mechanical properties of aluminum and aluminum nanocomposites. {yields} Graphene composite had lower strength and hardness compared to nanotube reinforcement. {yields} Processing causes aluminum carbide formation at graphene defects. {yields} The carbides in between grains is a source of weakness and lowers tensile strength. - Abstract: Composites of graphene platelets and powdered aluminum were made using ball milling, hot isostatic pressing and extrusion. The mechanical properties and microstructure were studied using hardness and tensile tests, as well as electron microscopy, X-ray diffraction and differential scanning calorimetry. Compared to the pure aluminum and multi-walled carbon nanotube composites, the graphene-aluminum composite showed decreased strength and hardness. This is explained in the context of enhanced aluminum carbide formation with the graphene filler.

  18. Dynamics and fragmentation of van der Waals and hydrogen bonded cluster cations: (NH3)n and (NH3BH3)n ionized at 10.51 eV.

    Science.gov (United States)

    Yuan, Bing; Shin, Joong-Won; Bernstein, Elliot R

    2016-04-14

    natural bond orbital description of the valence electron distribution for the various clusters and monomers. Comparison of the present results with those found for solid NH3BH3 suggests that NH3BH3 can be a good hydrogen storage material. PMID:27083729

  19. Aspects of aluminum toxicity

    Energy Technology Data Exchange (ETDEWEB)

    Hewitt, C.D.; Savory, J.; Wills, M.R. (Univ. of Virginia Health Sciences Center, Charlottesville (USA))

    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.

  20. The Density Functional Study of Thiophene Adsorption on Zeolite Clusters

    Institute of Scientific and Technical Information of China (English)

    Lü Renqing; Cao Zuogang; Shen Guoping

    2007-01-01

    The density functional theory and the cluster model methods have been employed to investigate the interactions between thiophene and the HZSM-5 zeolites. The molecular complexes formed by the adsorption of thiophene on silanol H3SiOH with two coordination forms, and the model Br(o)nsted acid sites of zeolite cluster H3Si(OH)Al(OH)2SiH3 upon the interaction with thiophene have been comparatively studied.Full optimization and frequency analysis of all cluster models have been carried out using the B3LYP hybrid method at 6-31G basis level for hydrogen atoms and 6-31+G(d) basis set level for silicon, aluminum, oxygen,carbon, and sulfur atoms. The calculated results showed that the nature of interactions leading to the formation of the zeolite cluster-thiophene and silanol-thiophene complexes was associated with the van der Waals force confirmed by a slight change of geometric structures and properties. Thiophene is adsorbed on bridging hydroxyl group prior to silanol OH group judging from the magnitude of adsorption heat. The cluster model calculation reproducing the experimental prediction to form the experimental adsorption spectra of thiophene in HZSM-5 zeolite has illustrated the validity of the proposed adsorption models.

  1. The corrosion of aluminum in dilute solutions: laboratory studies

    Energy Technology Data Exchange (ETDEWEB)

    Draley, J.E.; Arendt, J.W.; English, G.C.; Story, E.F.; Wainscott, M.M.; Berger, R.W.

    1945-06-19

    After it had been decided that aluminum was to be used as a corrosion-resistant material with good heat transfer properties, it was desired to determine the operating conditions to be used in the water-cooled Handford plant in order to avoid danger of corrosion penetration of thin aluminum parts. The studies here reported were undertaken with the object of determining these conditions by investigating the effects of all the known variables which might influence the corrosion behavior of aluminum in a water-coolded plant at HEW. The addition of hydrogen peroxide to the testing solutions was the only effort made to simulate special conditions at the plant.

  2. Process for strengthening aluminum based ceramics and material

    Energy Technology Data Exchange (ETDEWEB)

    Moorhead, Arthur J.; Kim, Hyoun-Ee

    1998-12-01

    A process for strengthening aluminum based ceramics is provided. A gaseous atmosphere consisting essentially of silicon monoxide gas is formed by exposing a source of silicon to an atmosphere consisting essentially of hydrogen and a sufficient amount of water vapor. The aluminum based ceramic is exposed to the gaseous silicon monoxide atmosphere for a period of time and at a temperature sufficient to produce a continuous, stable silicon-containing film on the surface of the aluminum based ceramic that increases the strength of the ceramic.

  3. Study of electrocatalytic properties of iridium carbonyl cluster and rhodium carbonyl cluster compounds for the oxygen reduction and hydrogen oxidation reactions in 0.5 MH{sub 2}SO{sub 4} in presence and absence of methanol and carbon monoxide, respectively

    Energy Technology Data Exchange (ETDEWEB)

    Uribe-Godinez, J.; Borja-Arco, E.; Castellanos, R.H. [Centro de Investigacion y Desarrollo Tecnologico en Electroquimica, Escobedo (Mexico); Jimenez-Sandoval, O. [Centro de Investigacion y de Estudios Avanzados del Inst. Politecnico Nacional, Querataro (Mexico)

    2006-07-01

    The suitability of carbonyl cluster compounds as a substitute to platinum (Pt) in fuel cell catalysts was investigated. Iridium (Ir{sub 4}(CO){sub 12} and rhodium (Rh{sub 6}(CO){sub 116}) cluster compounds were investigated as potential new electrocatalysts for oxygen reduction reaction (ORR) in the presence and absence of methanol at different concentrations, as well as for the hydrogen oxidation reaction (HOR) with pure hydrogen and a hydrogen/carbon monoxide mixture. The materials were studied using room temperature rotating disk electrode (RDE) measurements and cyclic and linear sweep voltammetry techniques (LSV). Tafel slope and exchange current density were calculated using the LSV polarization curves. Cyclic voltamperometry results suggested that the electrocatalysts were tolerant to methanol. However, electrochemical behaviour of the materials altered in the presence of CO, and peaks corresponding to CO oxidation were observed in both cases. The rhodium carbonyl showed a higher current density for the ORR than the iridium carbonyl. The current potential curves in the presence of methanol were similar to those obtained without methanol. Results confirmed the tolerance properties of the materials to perform the ORR. Decreased current density values were observed during HOR, and were attributed to changes in the hydrogen solubility and diffusion coefficient due to the presence of CO. The Tafel slopes indicated that the mechanics of the HOR were Heyrovsky-Volmer. Results showed that the materials are capable of performing both ORR and HOR in an acid medium. It was noted that the iridium carbonyl cluster followed a 4-electron transfer mechanism towards the formation of water. It was concluded that the compounds are suitable for use as both cathodes and anodes in proton exchange membrane fuel cells (PEMFCs) and as cathodes in direct methanol fuel cells (DMFCs). 3 refs., 2 tabs., 3 figs.

  4. Is the Aluminum Hypothesis Dead?

    OpenAIRE

    Lidsky, Theodore I.

    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 w...

  5. High energy density aluminum battery

    Energy Technology Data Exchange (ETDEWEB)

    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.

  6. A comparative study between all-electron scalar relativistic calculation and all-electron calculation on the adsorption of hydrogen molecule onto small gold clusters

    Indian Academy of Sciences (India)

    Xiang-Jun Kuang; Xin-Qiang Wang; Gao-Bin Liu

    2013-03-01

    A comparative study between all-electron relativistic (AER) calculation and all-electron (AE) calculation on the H2 molecule adsorption onto small gold clusters has been performed. Compared with the corresponding AuH2 cluster obtained by AE method, the AuH2 cluster obtained by AER method has much shorter Au-H bond-length, much longer H-H distance, larger binding energy and adsorption energy, higher vertical ionization potentials (VIP), greater charge transfer, higher vibrational frequency of Au-H mode and lower vibrational frequency of H-H mode. The delocalization of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) for AuH2 cluster obtained by AER method is obvious. All these characteristics suggest that the scalar relativistic effect might strengthen the Au-H bond and weaken the H-H bond. It is believed that the scalar relativistic effect is favourable to the H2 molecule adsorption onto small gold cluster and the reactivity enhancement of H2 molecule. It may be one of the reasons why the dissociative adsorptions take place in some AuH2 clusters. With increasing size of AuH2 clusters, the influence of scalar relativistic effect becomes more significant. Some further studies focused on the influence of scalar relativistic effect on the adsorption behaviour of other small molecules onto gold clusters are necessary in the future.

  7. Lateral displacement in soft-landing process and electronic properties of size-selected Pt7 clusters on the aluminum oxide film on NiAl(1 1 0)

    Science.gov (United States)

    Beniya, Atsushi; Isomura, Noritake; Hirata, Hirohito; Watanabe, Yoshihide

    2013-06-01

    Adsorption states of size-selected Pt7 clusters soft-landed on an Al2O3/NiAl(1 1 0) were investigated using scanning tunneling microscopy and spectroscopy at 300 K. Pt7 clusters lay flat on the surface with a planar structure and were preferentially adsorbed on domain boundaries (DBs) of the Al2O3 film. Because the clusters are thermally immobile, adsorption to DBs is controlled by transient mobility on the surface. The mean lateral displacement by transient migration is estimated to be ˜8 nm. Distinct conductivity resonances through unoccupied states of the Pt7 clusters were observed near 2 V.

  8. Nanostructures from hydrogen implantation of metals.

    Energy Technology Data Exchange (ETDEWEB)

    McWatters, Bruce Ray (Sandia National Laboratories, Albuquerque, NM); Causey, Rion A.; DePuit, Ryan J.; Yang, Nancy Y. C.; Ong, Markus D.

    2009-09-01

    This study investigates a pathway to nanoporous structures created by hydrogen implantation in aluminum. Previous experiments for fusion applications have indicated that hydrogen and helium ion implantations are capable of producing bicontinuous nanoporous structures in a variety of metals. This study focuses specifically on hydrogen and helium implantations of aluminum, including complementary experimental results and computational modeling of this system. Experimental results show the evolution of the surface morphology as the hydrogen ion fluence increases from 10{sup 17} cm{sup -2} to 10{sup 18} cm{sup -2}. Implantations of helium at a fluence of 10{sup 18} cm{sup -2} produce porosity on the order of 10 nm. Computational modeling demonstrates the formation of alanes, their desorption, and the resulting etching of aluminum surfaces that likely drives the nanostructures that form in the presence of hydrogen.

  9. Investigation of the NH-π hydrogen bond interaction in the aniline-alkene (C2H4,C3H6,C4H8) cluster cations by infrared depletion spectroscopy

    International Nuclear Information System (INIS)

    The vibrational spectra of the NH stretching vibrations of aniline-alkene cluster cations have been measured using infrared depletion method. Aniline-ethene cation showed three strong absorption bands at 3448, 3314 and 3220 cm-1. The comparison with MO calculation has shown that the main intermolecular interaction is the NH-π type hydrogen bond between one of the NH bonds of aniline cation and π-electron of ethene, which is different from that observed for the neutral aniline-ethene cluster. The bands at 3448 and 3220 cm-1 have been assigned to the stretching vibrations of free NH and bonded NH, respectively, and the band at 3314 cm-1 to the binary overtone of the NH2 deformation vibration. Similar results have been obtained for aniline-propene and aniline-butene cluster cations. The red shift of the stretching vibration of free NH bond of aniline cation agreed with that expected from the correlation with the proton affinity of the acceptor molecule obtained for the aniline-aromatic cluster cations (NH-π type)

  10. New Process for Grain Refinement of Aluminum. Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Joseph A. Megy

    2000-09-22

    A new method of grain refining aluminum involving in-situ formation of boride nuclei in molten aluminum just prior to casting has been developed in the subject DOE program over the last thirty months by a team consisting of JDC, Inc., Alcoa Technical Center, GRAS, Inc., Touchstone Labs, and GKS Engineering Services. The Manufacturing process to make boron trichloride for grain refining is much simpler than preparing conventional grain refiners, with attendant environmental, capital, and energy savings. The manufacture of boride grain refining nuclei using the fy-Gem process avoids clusters, salt and oxide inclusions that cause quality problems in aluminum today.

  11. The aluminum smelting process.

    Science.gov (United States)

    Kvande, Halvor

    2014-05-01

    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.

  12. Initiating, growing and cracking of hydrogen blisters

    Institute of Scientific and Technical Information of China (English)

    REN Xuechong; SHAN Guangbin; CHU Wuyang; SU Yanjing; GAO Kewei; QIAO Lijie; JIANG Bo; CHEN Gang; CUI Yinhui

    2005-01-01

    The growing process of a hydrogen blister in a wheel steel was observed in situ with an optical microscope, and the fracture surfaces formed from broken blisters on a wheel steel and bulk metallic glass were investigated. The initiating, growing, cracking and breaking of hydrogen blisters are as follows. Supersaturated vacancies can increase greatly during charging and gather together into a vacancy cluster (small cavity). Hydrogen atoms become hydrogen molecules in the vacancy cluster and hydrogen molecules can stabilize the vacancy cluster. The small cavity becomes the nucleus of hydrogen blister. The blister will grow with entering of vacancies and hydrogen atoms. With increasing hydrogen pressure, plastic deformation occurs first, the hydrogen blister near the surface extrudes, and then cracks initiate along the wall of the blister with further increasing hydrogen pressure. A cracked blister can grow further through propagating of cracks until it breaks.

  13. Clinical biochemistry of aluminum

    Energy Technology Data Exchange (ETDEWEB)

    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.

  14. Advances in aluminum pretreatment

    Energy Technology Data Exchange (ETDEWEB)

    Sudour, Michel; Maintier, Philippe [PPG Industries France, 3 Z.A.E. Les Dix Muids, B.P. 89, F-59583 Marly (France); Simpson, Mark [PPG Industries Inc., 1200 Piedmont Troy, Michigan 48083 (United States); Quaglia, Paolo [PPG Industries Italia, Via Garavelli 21, I-15028 Quattordio (Italy)

    2004-07-01

    As automotive manufacturers continue to look for ways to reduce vehicle weight, aluminum is finding more utility as a body panel component. The substitution of cold-rolled steel and zinc-coated substrates with aluminum has led to new challenges in vehicle pretreatment. As a result, changes to traditional pretreatment chemistries and operating practices are necessary in order to produce an acceptable coating on aluminum body panels. These changes result in increased sludging and other undesirable characteristics. In addition to the chemistry changes, there are also process-related problems to consider. Many existing automotive pretreatment lines simply were not designed to handle aluminum and its increased demands on filtration and circulation equipment. To retrofit such a system is capital intensive and in addition to requiring a significant amount of downtime, may not be totally effective. Thus, the complexities of pre-treating aluminum body panels have actually had a negative effect on efforts to introduce more aluminum into new vehicle design programs. Recent research into ways of reducing the negative effects has led to a new understanding of the nature of zinc phosphate bath -aluminum interactions. Many of the issues associated with the pretreatment of aluminum have been identified and can be mitigated with only minor changes to the zinc phosphate bath chemistry. The use of low levels of soluble Fe ions, together with free fluoride, has been shown to dramatically improve the efficiency of a zinc phosphate system processing aluminum. Appearance of zinc phosphate coatings, coating weights and sludge are all benefited by this chemistry change. (authors)

  15. Probing the Intact Cluster Catalysis Concept by Tetrahedral Clusters With Framework Chirality

    Institute of Scientific and Technical Information of China (English)

    G. Süss-Fink; L. Vieille-Petit

    2005-01-01

    @@ 1Results and Discussion In order to bring evidence for or against the hypothesis of catalytic hydrogenation by intact trinuclear arene ruthenium clusters containing an oxo cap, the substrate being hydrogenated inside the hydrophobic pocket spanned by the three arene ligands ("supramolecular cluster catalysis")[1], we synthesized cationic Ru3O clusters (See Fig. 1) with three different arene ligands (intrinsically chiral tetrahedra).

  16. Burning characteristics of individual aluminum/aluminum oxide particles

    OpenAIRE

    Ruttenberg, Eric C.

    1996-01-01

    Approved for public release; distribution is unlimited An experimental investigation was conducted in which the burning characteristics of individual aluminum/aluminum oxide particles were measured using a windowed combustion bomb at atmospheric pressure and under gravity-fall conditions. A scanning electron microscope (SEM) was used to measure the size distribution of the initial aluminum particles and the aluminum oxide residue. Analysis of the residue indicated that the mass of aluminum...

  17. Purifying Aluminum by Vacuum Distillation

    Science.gov (United States)

    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.

  18. Dimeric [Mo2 S12 ](2-) Cluster: A Molecular Analogue of MoS2 Edges for Superior Hydrogen-Evolution Electrocatalysis.

    Science.gov (United States)

    Huang, Zhongjie; Luo, Wenjia; Ma, Lu; Yu, Mingzhe; Ren, Xiaodi; He, Mingfu; Polen, Shane; Click, Kevin; Garrett, Benjamin; Lu, Jun; Amine, Khalil; Hadad, Christopher; Chen, Weilin; Asthagiri, Aravind; Wu, Yiying

    2015-12-01

    Proton reduction is one of the most fundamental and important reactions in nature. MoS2 edges have been identified as the active sites for hydrogen evolution reaction (HER) electrocatalysis. Designing molecular mimics of MoS2 edge sites is an attractive strategy to understand the underlying catalytic mechanism of different edge sites and improve their activities. Herein we report a dimeric molecular analogue [Mo2 S12 ](2-) , as the smallest unit possessing both the terminal and bridging disulfide ligands. Our electrochemical tests show that [Mo2 S12 ](2-) is a superior heterogeneous HER catalyst under acidic conditions. Computations suggest that the bridging disulfide ligand of [Mo2 S12 ](2-) exhibits a hydrogen adsorption free energy near zero (-0.05 eV). This work helps shed light on the rational design of HER catalysts and biomimetics of hydrogen-evolving enzymes. PMID:26482571

  19. Dimeric [Mo₂S₁₂]²⁻ Cluster: A Molecular Analogue of MoS₂ Edges for Superior Hydrogen-Evolution Electrocatalysis

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Zhongjie; Luo, Wenjia; Ma, Lu; Yu, Mingzhe; Ren, Xiaodi; He, Mingfu; Polen, Shan; Click, Kevin; Garrett, Benjamin R.; Lu, Jun; Amine, Khalil

    2015-12-07

    Proton reduction is one of the most fundamental and important reactions in nature. MoS2 edges have been identified as the active sites for hydrogen evolution reaction (HER) electrocatalysis. Designing molecular mimics of MoS2 edge sites is an attractive strategy to understand the underlying catalytic mechanism of different edge sites and improve their activities. Herein we report a dimeric molecular analogue [Mo₂S₁₂]²⁻, as the smallest unit possessing both the terminal and bridging disulfide ligands. Our electrochemical tests show that [Mo₂S₁₂]²⁻ is a superior heterogeneous HER catalyst under acidic conditions. Computations suggest that the bridging disulfide ligand of [Mo₂S₁₂]²⁻ exhibits a hydrogen adsorption free energy near zero (-0.05eV). This work helps shed light on the rational design of HER catalysts and biomimetics of hydrogen-evolving enzymes.

  20. Corrosion Inhibitors for Aluminum.

    Science.gov (United States)

    Muller, Bodo

    1995-01-01

    Describes a simple and reliable test method used to investigate the corrosion-inhibiting effects of various chelating agents on aluminum pigments in aqueous alkaline media. The experiments that are presented require no complicated or expensive electronic equipment. (DDR)

  1. CORROSION PROTECTION OF ALUMINUM

    Science.gov (United States)

    Dalrymple, R.S.; Nelson, W.B.

    1963-07-01

    Treatment of aluminum-base metal surfaces in an autoclave with an aqueous chromic acid solution of 0.5 to 3% by weight and of pH below 2 for 20 to 50 hrs at 160 to 180 deg C produces an extremely corrosion-resistant aluminum oxidechromium film on the surface. A chromic acid concentration of 1 to 2% and a pH of about 1 are preferred. (D.C.W.)

  2. Liquid Hydrogen Absorber for MICE

    Energy Technology Data Exchange (ETDEWEB)

    Ishimoto, S.; Suzuki, S.; Yoshida, M.; Green, Michael A.; Kuno, Y.; Lau, Wing

    2010-05-30

    Liquid hydrogen absorbers for the Muon Ionization Cooling Experiment (MICE) have been developed, and the first absorber has been tested at KEK. In the preliminary test at KEK we have successfully filled the absorber with {approx}2 liters of liquid hydrogen. The measured hydrogen condensation speed was 2.5 liters/day at 1.0 bar. No hydrogen leakage to vacuum was found between 300 K and 20 K. The MICE experiment includes three AFC (absorber focusing coil) modules, each containing a 21 liter liquid hydrogen absorber made of aluminum. The AFC module has safety windows to separate its vacuum from that of neighboring modules. Liquid hydrogen is supplied from a cryocooler with cooling power 1.5 W at 4.2 K. The first absorber will be assembled in the AFC module and installed in MICE at RAL.

  3. Defect recovery in aluminum irradiated with protons at 20 K

    DEFF Research Database (Denmark)

    Linderoth, S.; Rajainmäki, H.; Nieminen, R. M.

    1987-01-01

    Aluminum single crystals have been irradiated with 7.0-MeV protons at 20 K. The irradiation damage and its recovery are studied with positron-lifetime spectroscopy between 20 and 500 K. Stage-I recovery is observed at 40 K. At 240 K, loss of freely migrating vacancies is observed. Hydrogen in vac...

  4. Is it homogeneous or heterogeneous catalysis derived from [RhCp*Cl2]2? In operando XAFS, kinetic, and crucial kinetic poisoning evidence for subnanometer Rh4 cluster-based benzene hydrogenation catalysis.

    Science.gov (United States)

    Bayram, Ercan; Linehan, John C; Fulton, John L; Roberts, John A S; Szymczak, Nathaniel K; Smurthwaite, Tricia D; Özkar, Saim; Balasubramanian, Mahalingam; Finke, Richard G

    2011-11-23

    Determining the true, kinetically dominant catalytically active species, in the classic benzene hydrogenation system pioneered by Maitlis and co-workers 34 years ago starting with [RhCp*Cl(2)](2) (Cp* = [η(5)-C(5)(CH(3))(5)]), has proven to be one of the most challenging case studies in the quest to distinguish single-metal-based "homogeneous" from polymetallic, "heterogeneous" catalysis. The reason, this study will show, is the previous failure to use the proper combination of: (i) in operando spectroscopy to determine the dominant form(s) of the precatalyst's mass under catalysis (i.e., operating) conditions, and then crucially also (ii) the previous lack of the necessary kinetic studies, catalysis being a "wholly kinetic phenomenon" as J. Halpern long ago noted. An important contribution from this study will be to reveal the power of quantitiative kinetic poisoning experiments for distinguishing single-metal, or in the present case subnanometer Rh(4) cluster-based catalysis, from larger, polymetallic Rh(0)(n) nanoparticle catalysis, at least under favorable conditions. The combined in operando X-ray absorption fine structure (XAFS) spectroscopy and kinetic evidence provide a compelling case for Rh(4)-based, with average stoichiometry "Rh(4)Cp*(2.4)Cl(4)H(c)", benzene hydrogenation catalysis in 2-propanol with added Et(3)N and at 100 °C and 50 atm initial H(2) pressure. The results also reveal, however, that if even ca. 1.4% of the total soluble Rh(0)(n) had formed nanoparticles, then those Rh(0)(n) nanoparticles would have been able to account for all the observed benzene hydrogenation catalytic rate (using commercial, ca. 2 nm, polyethyleneglycol-dodecylether hydrosol stabilized Rh(0)(n) nanoparticles as a model system). The results--especially the poisoning methodology developed and employed--are of significant, broader interest since determining the nature of the true catalyst continues to be a central, often vexing issue in any and all catalytic reactions

  5. Is It Homogeneous or Heterogeneous Catalysis Derived from [RhCp*Cl2]2? In Operando-XAFS, Kinetic and Crucial Kinetic Poisoning Evidence for Subnanometer Rh4 Cluster-Based Benzene Hydrogenation Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Bayram, Ercan; Linehan, John C.; Fulton, John L.; Roberts, John A.; Szymczak, Nathaniel; Smurthwaite, Tricia D.; Ozkar, Saim; Balasubramanian, Mahalingam; Finke, Richard G.

    2011-11-23

    Determining the true, kinetically dominant catalytically active species, in the classic benzene hydrogenation system pioneered by Maitlis and co-workers 34 years ago starting with [RhCp*Cl2]2 (Cp* = [{eta}5-C5(CH3)5]), has proven to be one of the most challenging case studies in the quest to distinguish single-metal-based 'homogeneous' from polymetallic, 'heterogeneous' catalysis. The reason, this study will show, is the previous failure to use the proper combination of (i) operando spectroscopy to determine the dominant form(s) of the precatalyst's mass under catalysis (i.e., operating) conditions, plus then and crucially also (ii) the previous lack of the necessary kinetic studies, catalysis being a 'wholly kinetic phenomenon' as J. Halpern long ago noted. An important contribution from this study will be to reveal the power of quantitiative kinetic poisoning experiments for distinguishing single-metal, or in this case subnanometer Rh4 cluster-based catalysis from larger, polymetallic Rh(0)n nanoparticle catalysis, at least under favorable conditions. The combined operando-XAFS (X-ray absorption fine structure) spectroscopy and kinetic evidences provide a compelling case for Rh4-based, with average stoichiometry 'Rh4Cp*2.4Cl4Hc', benzene hydrogenation catalysis in 2-propanol with added Et3N and at 100 C and 50 atm initial H2 pressure. The results also reveal, however, that if even ca. 1.4% of the total soluble Rh(0)n had formed nanoparticles, then those Rh(0)n nanoparticles would have been able to account for all the observed benzene hydrogenation catalytic rate (using commercial, ca. 2 nm, polyethyleneglycol-dodecylether hydrosol stabilized Rh(0)n nanoparticles as a model system). The results 'especially the poisoning methodology developed and employed' are of significant, broader interest since determining the nature of the true catalyst continues to be a central, often vexing issue in any and all catalytic

  6. Characterization of aluminum nanopowders after long-term storage

    International Nuclear Information System (INIS)

    Highlights: • The aluminum nanopowders produced by electrical explosion of wires after long-term storage (27 and 10 years) under natural conditions are characterized. • The phase composition and thermal stability of aluminum nanopowders after long-term storage are determined. • The surface chemical changes in the aged aluminum nanopowders are examined. • The high reactivity of aluminum nanopowder is due to the presence of the protective oxide–hydroxide layer on the particles surface. - Abstract: The characteristics of aluminum nanopowders obtained by electrical explosion of wires, passivated by air and stored for a long time under natural conditions are analyzed. The aluminum nanopowder produced in hydrogen had been stored for 27 years; the nanopowders produced in argon and nitrogen had been stored for 10 years. The powders were studied using X-ray diffraction analysis (XRD), scanning electron microscopy (SEM), differential scanning calorimetry (DSC), thermogravimetry (TG) and Fourier transform infrared spectrometry (FTIR). The influence of the obtaining conditions and storage period of nanopowders on their thermal stability under heating in air is shown. The aluminum nanopowders after long-term storage in air under ambient conditions are found to be extremely active

  7. The mechanism of nucleation of hydrogen blister in metals

    Institute of Scientific and Technical Information of China (English)

    REN XueChong; ZHOU QingJun; CHU WuYang; LI JinXu; SU YanJing; QIAO LiJie

    2007-01-01

    The nucleating, growing and cracking of hydrogen blister have been investigated experimentally and theoretically. The results show that atomic hydrogen induces superabundant vacancies in metals. The superabundant vacancies and hydrogen aggregate into a hydrogen-vacancy cluster (microcavity). The hydrogen atoms in the microcavity become hydrogen molecules which can stabilize the cluster. And the hydrogen blister nucleates. With the entry of vacancies and hydrogen atoms, the blister nucleus grows and the pressure in the cavity increases. When the stress induced by hydrogen pressure on the blister is up to the cohesive strength, cracks will initiate from the wall of the blister.

  8. Aluminum, parathyroid hormone, and osteomalacia

    Energy Technology Data Exchange (ETDEWEB)

    Burnatowska-Hledin, M.A.; Kaiser, L.; Mayor, G.H.

    1983-01-01

    Aluminum exposure in man is unavoidable. The occurrence of dialysis dementia, vitamin D-resistant osteomalacia, and hypochromic microcytic anemia in dialysis patients underscores the potential for aluminum toxicity. Although exposure via dialysate and hyperalimentation leads to significant tissue aluminum accumulation, the ubiquitous occurrence of aluminum and the severe pathology associated with large aluminum burdens suggest that smaller exposures via the gastrointestinal tract and lungs could represent an important, though largely unrecognized, public health problem. It is clear that some aluminum absorption occurs with the ingestion of small amounts of aluminum in the diet and medicines, and even greater aluminum absorption is seen in individuals consuming large amounts of aluminum present in antacids. Aluminum absorption is enhanced in the presence of elevated circulating parathyroid hormone. In addition, elevated PTH leads to the preferential deposition of aluminum in brain and bone. Consequently, PTH is likely to be involved in the pathogenesis of toxicities in those organs. PTH excess also seems to lead to the deposition of aluminum in the parathyroid gland. The in vitro demonstration that aluminum inhibits parathyroid hormone release is consistent with the findings of a euparathyroid state in dialysis patients with aluminum related vitamin D-resistant osteomalacia. Nevertheless, it seems likely that hyperparathyroidism is at least initially involved in the pathogenesis of aluminum neurotoxicity and osteomalacia; the increases in tissue aluminum stores are followed by suppression of parathyroid hormone release, which is required for the evolution of osteomalacia. Impaired renal function is not a prerequisite for increased tissue aluminum burdens, nor for aluminum-related organ toxicity. Consequently, it is likely that these diseases will be observed in populations other than those with chronic renal disease.

  9. Selection of a mineral binder with potentialities for the stabilization/solidification of aluminum metal

    Energy Technology Data Exchange (ETDEWEB)

    Cau Dit Coumes, C., E-mail: celine.cau-dit-coumes@cea.fr [Commissariat à l’Energie Atomique et aux Energies Alternatives, CEA/DEN/MAR/DTCD/SPDE, BP17171, 30207 Bagnols-sur-Cèze cedex (France); Lambertin, D.; Lahalle, H.; Antonucci, P. [Commissariat à l’Energie Atomique et aux Energies Alternatives, CEA/DEN/MAR/DTCD/SPDE, BP17171, 30207 Bagnols-sur-Cèze cedex (France); Cannes, C.; Delpech, S. [Institut de Physique Nucléaire, CNRS, Univ. Paris-Sud 11, 91406 Orsay Cedex (France)

    2014-10-15

    Highlights: • Binders capable of reducing the pore solution pH compared with Portland cements are reviewed. • The binders are then tested against aluminum corrosion. • Corrosion of aluminum metal is minimal with magnesium phosphate cement. • The H{sub 2} release can be reduced still further by adding LiNO{sub 3} to the mixing solution. • Electrochemical characterizations show that aluminum tends to a passive state. - Abstract: In a strongly alkaline medium, such as that encountered in conventional cementitious materials based on Portland cement, aluminum metal is corroded, with continued production of hydrogen. In order to develop a mineral matrix having enhanced compatibility with aluminum, a literature review was first undertaken to identify binders capable of reducing the pore solution pH compared with Portland cement. An experimental study was then carried out to measure the hydrogen production resulting from corrosion of aluminum metal rods encapsulated in the different selected cement pastes. The best results were achieved with magnesium phosphate cement, which released very little hydrogen over the duration of the study. This production could be reduced still further by adding a corrosion inhibitor (lithium nitrate) to the mixing solution. Open circuit potential measurement and Electrochemical Impedance Spectroscopy of aluminum electrode encapsulated in two pastes based on Portland cement and magnesium phosphate cement showed different redox behaviors. In the Portland cement paste, the electrochemical data confirmed the corrosion of aluminum whereas this latter tended to a passive state in the magnesium phosphate binder.

  10. Fabrication of aluminum foam from aluminum scrap Hamza

    Directory of Open Access Journals (Sweden)

    O. A. Osman1 ,

    2015-02-01

    Full Text Available In this study the optimum parameters affecting the preparation of aluminum foam from recycled aluminum were studied, these parameters are: temperature, CaCO3 to aluminum scrap wt. ratio as foaming agent, Al2O3 to aluminum scrap wt. ratio as thickening agent, and stirring time. The results show that, the optimum parameters are the temperature ranged from 800 to 850oC, CaCO3 to aluminum scrap wt. ratio was 5%, Al2O3 to aluminum scrap wt. ratio was 3% and stirring time was 45 second with stirring speed 1200 rpm. The produced foam apparent densities ranged from 0.40-0.60 g/cm3. The microstructure of aluminum foam was examined by using SEM, EDX and XRD, the results show that, the aluminum pores were uniformly distributed along the all matrices and the cell walls covered by thin oxide film.

  11. The effect of grain size on aluminum anodes for Al-air batteries in alkaline electrolytes

    Science.gov (United States)

    Fan, Liang; Lu, Huimin

    2015-06-01

    Aluminum is an ideal material for metallic fuel cells. In this research, different grain sizes of aluminum anodes are prepared by equal channel angular pressing (ECAP) at room temperature. Microstructure of the anodes is examined by electron backscatter diffraction (EBSD) in scanning electron microscope (SEM). Hydrogen corrosion rates of the Al anodes in 4 mol L-1 NaOH are determined by hydrogen collection method. The electrochemical properties of the aluminum anodes are investigated in the same electrolyte using electrochemical impedance spectroscopy (EIS) and polarization curves. Battery performance is also tested by constant current discharge at different current densities. Results confirm that the electrochemical properties of the aluminum anodes are related to grain size. Finer grain size anode restrains hydrogen evolution, improves electrochemical activity and increases anodic utilization rate. The proposed method is shown to effectively improve the performance of Al-air batteries.

  12. H-plasma-assisted aluminum induced crystallization of amorphous silicon

    Institute of Scientific and Technical Information of China (English)

    Li Juan; Liu Ning; Luo Chong; Meng Zhiguo; Xiong Shaozhen; Hoi Sing Kwok

    2012-01-01

    A technique to improve and accelerate aluminum induced crystallization (AIC) by using hydrogen plasma is proposed.Raman spectroscopy and secondary ion mass spectrometry of crystallized poly-Si thin films show that hydrogen plasma radicals reduce the crystallization time of AIC.This technique shortens the annealing time from 10 to 4 h and increases the Hall mobility from 22.1 to 42.5 cm2/(V·s).The possible mechanism of AIC assisted by hydrogen radicals is also discussed.

  13. Aluminum Hydroxide and Magnesium Hydroxide

    Science.gov (United States)

    Aluminum Hydroxide, Magnesium Hydroxide are antacids used together to relieve heartburn, acid indigestion, and upset stomach. They ... They combine with stomach acid and neutralize it. Aluminum Hydroxide, Magnesium Hydroxide are available without a prescription. ...

  14. China’s Aluminum Resources

    Institute of Scientific and Technical Information of China (English)

    2004-01-01

    <正> The aluminum industry makes one of the keyindustries in China’s industrial and agriculturalmodernization and features a high degree ofrelevance with all industries.Of all the 124existing industries in China,113 use aluminum,representing an industrial relevance rate of91%.The consumption of aluminum is also ofhigh relevance with China’s GDP.

  15. Statistical analysis of constituent particles in 7075-T6 aluminum alloy

    Science.gov (United States)

    Harlow, D. G.; Wei, R. P.; Wang, M. Z.

    2006-11-01

    Pitting corrosion is a primary degradation mechanism that affects the durability and integrity of aluminum alloy structures especially in aircraft. The heterogeneity of aluminum alloys is directly responsible for pitting corrosion because about 200 constituent particles per mm2 are on polished surfaces. Corrosion pits commence at surface particles and evolve into severe pits by sustained growth through particle clusters. Severe pits are nuclei for subsequent corrosion fatigue cracking. Thus, heterogeneous clusters of constituent particles are critical to the quality of aluminum alloys subjected to deleterious environments. Models for structural reliability including corrosion fundamentally depend on quantitative descriptions of the spatial statistics of the particles and particle clusters, including their location, size, and density. The primary purpose of this effort is to statistically estimate the distribution functions of the key geometrical properties of the constituent particles in 7075-T6 aluminum alloy and their role in pitting corrosion.

  16. Pingguo Aluminum Faces Dilemma

    Institute of Scientific and Technical Information of China (English)

    2013-01-01

    <正>Chinalco Guangxi Pinggjuo Branch is an exemplary company of Chinalco. Many of its indicators including technology, management standard, and profit rank in leading position in the industry, but such a pace-setter company is also facing the dilemma of overstock of Alumina products, and loss in electrolytic aluminum business.

  17. Applied Electrochemistry of Aluminum

    DEFF Research Database (Denmark)

    Li, Qingfeng; Qiu, Zhuxian

    Electrochemistry of aluminum is of special importance from both theoretical and technological point of view. It covers a wide range of electrolyte systems from molten fluoride melts at around 1000oC to room temperature molten salts, from aqueous to various organic media and from liquid to solid...

  18. Molecular adsorption of H2 on small cationic nickel clusters

    NARCIS (Netherlands)

    Swart, I.; Gruene, P.; Fielicke, A.; Meijer, G.; Weckhuysen, B.M.; de Groot, F.M.F.

    2008-01-01

    The adsorption of H2 on metal clusters is of interest in several fields, including metallurgy, catalysis and hydrogen storage. Hydrogen interacting with small Ni clusters is of special interest, as Ni is widely used as a hydrogenation catalyst. In general, reactions of H2 with extended Ni surfaces a

  19. Cluster-assisted generation of multi-charged ions in nanosecond laser ionization of pulsed hydrogen sulfide beam at 1064 and 532 nm

    Science.gov (United States)

    Niu, Dong-Mei; Li, Hai-Yang; Luo, Xiao-Lin; Liang, Feng; Cheng, Shuang; Li, An-Lin

    2006-07-01

    The multi-charged sulfur ions of Sq+ (qlaser of 1064 and 532 nm with an intensity of 1010~ 1012W.cm-2. S6+ is the dominant multi-charged species at 1064 nm, while S4+, S3+ and S2+ ions are the main multi-charged species at 532 nm. A three-step model (i.e., multiphoton ionization triggering, inverse bremsstrahlung heating, electron collision ionizing) is proposed to explain the generation of these multi-charged ions at the laser intensity stated above. The high ionization level of the clusters and the increasing charge state of the ion products with increasing laser wavelength are supposed mainly due to the rate-limiting step, i.e., electron heating by absorption energy from the laser field via inverse bremsstrahlung, which is proportional to λ2, λ being the laser wavelength.

  20. Dependence of hydrogen-induced lattice defects and hydrogen embrittlement of cold-drawn pearlitic steels on hydrogen trap state, temperature, strain rate and hydrogen content

    International Nuclear Information System (INIS)

    The effects of the hydrogen state, temperature, strain rate and hydrogen content on hydrogen embrittlement susceptibility and hydrogen-induced lattice defects were evaluated for cold-drawn pearlitic steel that absorbed hydrogen in two trapping states. Firstly, tensile tests were carried out under various conditions to evaluate hydrogen embrittlement susceptibility. The results showed that peak 2 hydrogen, desorbed at temperatures above 200 °C as determined by thermal desorption analysis (TDA), had no significant effect on hydrogen embrittlement susceptibility. In contrast, hydrogen embrittlement susceptibility increased in the presence of peak 1 hydrogen, desorbed from room temperature to 200 °C as determined by TDA, at temperatures higher than −30 °C, at lower strain rates and with higher hydrogen content. Next, the same effects on hydrogen-induced lattice defects were also evaluated by TDA using hydrogen as a probe. Peak 2 hydrogen showed no significant effect on either hydrogen-induced lattice defects or hydrogen embrittlement susceptibility. It was found that hydrogen-induced lattice defects formed under the conditions where hydrogen embrittlement susceptibility increased. This relationship indicates that hydrogen embrittlement susceptibility was higher under the conditions where the formation of hydrogen-induced lattice defects tended to be enhanced. Since hydrogen-induced lattice defects formed by the interaction between hydrogen and strain were annihilated by annealing at a temperature of 200 °C, they were presumably vacancies or vacancy clusters. One of the common atomic-level changes that occur in cold-drawn pearlitic steel showing higher hydrogen embrittlement susceptibility is the formation of vacancies and vacancy clusters

  1. Purification of scrap aluminum foil and aluminum melt covering and protecting & atomic purification theory

    Institute of Scientific and Technical Information of China (English)

    倪红军; 孙宝德; 刘满平; 丁文江

    2003-01-01

    A new flux, JDN-I, including rare earth compounds, for purification of the scraps of 99.99% aluminum foil was introduced. The experimental results indicate that its function of degassing and deoxidizing is excellent. The hydrogen content of the scrap aluminum foil melt purified by JDN-I flux decreases greatly from 4.5 mL/kg to 1.2 mL/kg at 720 ℃. The tensile strength of the samples refined with JDN-I flux increases by 19.2% and the elongation increases by 38.3% in comparison with those without flux. The purification mechanism of JDN-I was discussed and a theory of covering, protecting & atomic purification was also put forward.

  2. 叠氮二乙基铝和镓多聚体结构和性质的密度泛函理论研究%Structure properties of Diethylmetallic Azides Clusters of Aluminum and Gallium by DFT

    Institute of Scientific and Technical Information of China (English)

    夏其英; 马登学; 杨吉民

    2009-01-01

    (Et2MN3)n(n=1 to 3, M=Al, Ga) clusters were studied by DFT/B3LYP method with SDD basis set. The dimer(Et2MN3)2 and trimer(Et2MN3)3(M=Al, Ga) are found to exhibit four membered M2N2 and six membered M3N3 ring structure, respectively.Compared with the monomer, the order of the bond length changes for the dimer(Et2MN3)2 and trimer(Et2MN3)3(M=Al, Ga) is as follows: Nα-M>Nα-Nβ>Nβ-Nγ≈M-C. Binding energies of the dimer (Et2AlN3)2 and trimer(Et2AlN3)3 clusters are 35.44 and 45.61 kJ·mol-1 lower than that of (Et2GaN3)2 and(Et2GaN3)3 clusters, respectively. Thermodynamic properties show that the dimer is the main composition of the(Et2MN3)n(n=1 to 3, M=Al, Ga) clusters at 298.2 K. The dimerization and trimerization are very favorable thermodynamically below 500 K.%采用DFT-B3LYP/SDD方法系统研究了(Et2MN3)n(n=1-3,M=Al, Ga) 体系.二聚体(Et2MN3)2和三聚体(Et2MN3)3(M=Al, Ga)分别拥有四元环M2N2和六元环M3N3结构.与单体相比,二聚体(Et2MN3)2和三聚体(Et2MN3)3(M=Al, Ga)的键长变化次序均为Nα-M>Nα-Nβ>Nβ-Nγ≈M-C.二聚体(Et2AlN3)2的结合能比(Et2GaN3)2低35.44 kJ·mol-1,而三聚体(Et2AlN3)3的结合能比(Et2GaN3)3低45.61 kJ·mol-1.热力学性质表明叠氮二乙基铝和镓体系在298.2 K温度下均以二聚体为主.在低于500 K的温度下,二聚化和三聚化反应在热力学上是有利的.

  3. Hydrogen sensor

    Science.gov (United States)

    Duan, Yixiang; Jia, Quanxi; Cao, Wenqing

    2010-11-23

    A hydrogen sensor for detecting/quantitating hydrogen and hydrogen isotopes includes a sampling line and a microplasma generator that excites hydrogen from a gas sample and produces light emission from excited hydrogen. A power supply provides power to the microplasma generator, and a spectrometer generates an emission spectrum from the light emission. A programmable computer is adapted for determining whether or not the gas sample includes hydrogen, and for quantitating the amount of hydrogen and/or hydrogen isotopes are present in the gas sample.

  4. Water's Hydrogen Bond Strength

    CERN Document Server

    Chaplin, Martin

    2007-01-01

    Water is necessary both for the evolution of life and its continuance. It possesses particular properties that cannot be found in other materials and that are required for life-giving processes. These properties are brought about by the hydrogen bonded environment particularly evident in liquid water. Each liquid water molecule is involved in about four hydrogen bonds with strengths considerably less than covalent bonds but considerably greater than the natural thermal energy. These hydrogen bonds are roughly tetrahedrally arranged such that when strongly formed the local clustering expands, decreasing the density. Such low density structuring naturally occurs at low and supercooled temperatures and gives rise to many physical and chemical properties that evidence the particular uniqueness of liquid water. If aqueous hydrogen bonds were actually somewhat stronger then water would behave similar to a glass, whereas if they were weaker then water would be a gas and only exist as a liquid at sub-zero temperature...

  5. Reversible hydrogen storage materials

    Science.gov (United States)

    Ritter, James A.; Wang, Tao; Ebner, Armin D.; Holland, Charles E.

    2012-04-10

    In accordance with the present disclosure, a process for synthesis of a complex hydride material for hydrogen storage is provided. The process includes mixing a borohydride with at least one additive agent and at least one catalyst and heating the mixture at a temperature of less than about 600.degree. C. and a pressure of H.sub.2 gas to form a complex hydride material. The complex hydride material comprises MAl.sub.xB.sub.yH.sub.z, wherein M is an alkali metal or group IIA metal, Al is the element aluminum, x is any number from 0 to 1, B is the element boron, y is a number from 0 to 13, and z is a number from 4 to 57 with the additive agent and catalyst still being present. The complex hydride material is capable of cyclic dehydrogenation and rehydrogenation and has a hydrogen capacity of at least about 4 weight percent.

  6. Aluminum recycling from reactor walls: A source of contamination in a-Si:H thin films

    International Nuclear Information System (INIS)

    In this article, the authors investigate the contamination of hydrogenated amorphous silicon thin films with aluminum recycled from the walls and electrodes of the deposition reactor. Thin films of hydrogenated amorphous silicon were prepared under various conditions by a standard radio frequency plasma enhanced chemical vapor deposition process in two reactors, the chambers of which were constructed of either aluminum or stainless steel. The authors have studied the electronic properties of these thin films and have found that when using an aluminum reactor chamber, the layers are contaminated with aluminum recycled from the chamber walls and electrode. This phenomenon is observed almost independently of the deposition conditions. The authors show that this contamination results in slightly p-doped films and could be detrimental to the deposition of device grade films. The authors also propose a simple way to control and eventually suppress this contamination.

  7. Hydrogen system (hydrogen fuels feasibility)

    International Nuclear Information System (INIS)

    This feasibility study on the production and use of hydrogen fuels for industry and domestic purposes includes the following aspects: physical and chemical properties of hydrogen; production methods steam reforming of natural gas, hydrolysis of water; liquid and gaseous hydrogen transportation and storage (hydrogen-hydride technology); environmental impacts, safety and economics of hydrogen fuel cells for power generation and hydrogen automotive fuels; relevant international research programs

  8. 21 CFR 73.1645 - Aluminum powder.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 1 2010-04-01 2010-04-01 false Aluminum powder. 73.1645 Section 73.1645 Food and... ADDITIVES EXEMPT FROM CERTIFICATION Drugs § 73.1645 Aluminum powder. (a) Identity. (1) The color additive aluminum powder shall be composed of finely divided particles of aluminum prepared from virgin aluminum....

  9. Aluminum ions accelerated the oxidative stress of copper-mediated melanin formation

    Science.gov (United States)

    Di, Junwei; Bi, Shuping

    2003-11-01

    A comparison between the effects of aluminum and cupric ions on the dopachrome (DC) conversion and the cooperation effect of the both ions in the DOPA oxidation to melanin pathway has been studied by UV-Vis spectrophotometric method. Both aluminum and cupric ions catalyze the DC conversion reaction, which is an important step in the melanin synthesis pathway. However, cupric ions catalyze the conversion of DC to yield 5,6-dihydroxyindole-2-carboxylic acid (DHICA) but the product of DC conversion catalyzed by aluminum is 5,6-dihydroxyindole (DHI). DOPA oxidation catalyzed by aluminum and cupric ions is studied in the presence of hydrogen peroxide. The results from our experiments provide evidence that aluminum can markedly increase the oxidative stress of copper-mediated the melanin formation and influence the properties of the melanin by means of changing the ratio of DHICA/DHI in the acidic environment (pH 5.5).

  10. Weighted Clustering

    DEFF Research Database (Denmark)

    Ackerman, Margareta; Ben-David, Shai; Branzei, Simina;

    2012-01-01

    We investigate a natural generalization of the classical clustering problem, considering clustering tasks in which different instances may have different weights.We conduct the first extensive theoretical analysis on the influence of weighted data on standard clustering algorithms in both the...... partitional and hierarchical settings, characterizing the conditions under which algorithms react to weights. Extending a recent framework for clustering algorithm selection, we propose intuitive properties that would allow users to choose between clustering algorithms in the weighted setting and classify...

  11. Hybrid Aluminum Composite Materials Based on Carbon Nanostructures

    Directory of Open Access Journals (Sweden)

    Tatiana S. Koltsova

    2015-09-01

    Full Text Available We investigated formation of carbon nanofibers grown by chemical deposition (CVD method using an acetylene-hydrogen mixture on the surface of micron-sized aluminum powder particles. To obtain uniform distribution of the carbon nanostructures on the particles we deposited nickel catalyst on the surface by spraying from the aqueous solution of nickel nitrate. It was found that increasing the time of the synthesis lowers the rate of growth of carbon nanostructures due to the deactivation of the catalyst. The Raman spectroscopy measurements confirm the presence of disordered carbon corresponding to CNFs in the specimen. X-ray photoelectron spectroscopy showed the presence of aluminum carbide in the hot pressed samples. An aluminum composite material prepared using 1 wt.% CNFs obtained by uniaxial cold pressing and sintering showed 30% increase in the hardness compared to pure aluminum, whereas the composites prepared by hot pressing showed 80% increase in the hardness. Composite materials have satisfactory ductility. Thus, the aluminum based material reinforced with carbon nanostructures should be appropriate for creating high-strength and light compacts for aerospace and automotive applications and power engineering.DOI: http://dx.doi.org/10.5755/j01.ms.21.3.7355

  12. Tritium permeability of nickel plated stainless steel 21-6-9 and of gold plated aluminum

    International Nuclear Information System (INIS)

    Tritium permeabilities of alloy 21-6-9 and of aluminum have been determined over the 200 to 750 0C and 300 to 460 0C ranges, respectively. Permeation behavior through cold worked alloy 21-6-9 was similar to that for other austenitic alloys, but behavior of annealed alloy 21-6-9 was markedly different and suggested a structural transition near 560 0C. Permeabilities determined for nonoxidized aluminum were different from those given in earlier publications, but are believed to represent better hydrogen permeation through aluminum

  13. Invisible Display in Aluminum

    DEFF Research Database (Denmark)

    Prichystal, Jan Phuklin; Hansen, Hans Nørgaard; Bladt, Henrik Henriksen

    2005-01-01

    Bang & Olufsen a/s has been working with ideas for invisible integration of displays in metal surfaces. Invisible integration of information displays traditionally has been possible by placing displays behind transparent or semitransparent materials such as plastic or glass. The wish...... for an integrated display in a metal surface is often ruled by design and functionality of a product. The integration of displays in metal surfaces requires metal removal in order to clear the area of the display to some extent. The idea behind an invisible display in Aluminum concerns the processing of a metal...

  14. Electrodeposition of aluminum and aluminum-magnesium alloys at room temperature

    Institute of Scientific and Technical Information of China (English)

    阚洪敏; 祝跚珊; 张宁; 王晓阳

    2015-01-01

    Electrodeposition of aluminum from benzene-tetrahydrofuran−AlCl3−LiAlH4 was studied at room temperature. Galvanostatic electrolysis was used to investigate the effect of various parameters on deposit morphology and crystal size, including current density, temperature, molar ratio of benzene/tetrahydrofuran and stirring speed. The deposit microstructure was adjusted by changing the parameters, and the optimum operating conditions were determined. Dense, bright and adherent aluminum coatings were obtained over a wide range of current densities (10−25 mA/cm2), molar ratio of benzene and tetrahydrofuran (4:1 to 7:8) and stirring speeds (200−500 r/min). Smaller grain sizes and well-adhered deposits were obtained at lower temperatures. Aluminum-magnesium alloys could potentially be used as hydrogen storage materials. A novel method for Al−Mg deposition was proposed by using pure Mg anodes in the organic solvents system benzene-tetrahydrofuran−AlCl3−LiAlH4. XRD shows that the aluminum−magnesium alloys are mainly Al3Mg2 and Al12Mg17.

  15. Neurofibrillary pathology and aluminum in Alzheimer's disease

    OpenAIRE

    Shin, R. W.; Lee, V. M. Y; Trojanowski, J Q

    1995-01-01

    Since the first reports of aluminum-induced neurofibrillary degeneration in experimental animals, extensive studies have been performed to clarify the role played by aluminum in the pathogenesis of Alzheimer's disease (AD). Additional evidence implicating aluminum in AD includes elevated levels of aluminum in the AD brain, epidemiological data linking aluminum exposure to AD, and interactions between aluminum and protein components in the pathological lesions o...

  16. Heredity of Aluminum Melt by Electric Pulse Modification (Ⅱ)

    Institute of Scientific and Technical Information of China (English)

    QI Jin-gang; WANG Jian-zhong; DU Hui-ling; CAO Li-yun

    2007-01-01

    Heredity of high pure aluminum melts under different pulse electric field was investigated by means of repetitious remelt experiment. The results indicate that the genetic coefficient by measurement of grain size of cast structure has a close relation with pulse voltage. Moreover, the hereditary law accords with the function of In=1+e-αn+β. The stability of genetic carrier (cluster) comprises in the competition between repetitious cooling and heating impulse and the effect of electric pulse modification.

  17. Aluminum Nanoholes for Optical Biosensing

    Directory of Open Access Journals (Sweden)

    Carlos Angulo Barrios

    2015-07-01

    Full Text Available Sub-wavelength diameter holes in thin metal layers can exhibit remarkable optical features that make them highly suitable for (biosensing applications. Either as efficient light scattering centers for surface plasmon excitation or metal-clad optical waveguides, they are able to form strongly localized optical fields that can effectively interact with biomolecules and/or nanoparticles on the nanoscale. As the metal of choice, aluminum exhibits good optical and electrical properties, is easy to manufacture and process and, unlike gold and silver, its low cost makes it very promising for commercial applications. However, aluminum has been scarcely used for biosensing purposes due to corrosion and pitting issues. In this short review, we show our recent achievements on aluminum nanohole platforms for (biosensing. These include a method to circumvent aluminum degradation—which has been successfully applied to the demonstration of aluminum nanohole array (NHA immunosensors based on both, glass and polycarbonate compact discs supports—the use of aluminum nanoholes operating as optical waveguides for synthesizing submicron-sized molecularly imprinted polymers by local photopolymerization, and a technique for fabricating transferable aluminum NHAs onto flexible pressure-sensitive adhesive tapes, which could facilitate the development of a wearable technology based on aluminum NHAs.

  18. Thermal coatings for titanium-aluminum alloys

    Science.gov (United States)

    Cunnington, George R.; Clark, Ronald K.; Robinson, John C.

    1993-01-01

    Titanium aluminides and titanium alloys are candidate materials for use in hot structure and heat-shield components of hypersonic vehicles because of their good strength-to-weight characteristics at elevated temperature. However, in order to utilize their maximum temperature capability, they must be coated to resist oxidation and to have a high total remittance. Also, surface catalysis for recombination of dissociated species in the aerodynamic boundary layer must be minimized. Very thin chemical vapor deposition (CVD) coatings are attractive candidates for this application because of durability and very light weight. To demonstrate this concept, coatings of boron-silicon and aluminum-boron-silicon compositions were applied to the titanium-aluminides alpha2 (Ti-14Al-21Nb), super-alpha2 (Ti-14Al-23-Nb-2V), and gamma (Ti-33Al-6Nb-1Ta) and to the titanium alloy beta-21S (Ti-15Mo-3Al-3Nb-0.2Si). Coated specimens of each alloy were subjected to a set of simulated hypersonic vehicle environmental tests to determine their properties of oxidation resistance, surface catalysis, radiative emittance, and thermal shock resistance. Surface catalysis results should be viewed as relative performance only of the several coating-alloy combinations tested under the specific environmental conditions of the LaRC Hypersonic Materials Environmental Test System (HYMETS) arc-plasma-heated hypersonic wind tunnel. Tests were also conducted to evaluate the hydrogen transport properties of the coatings and any effects of the coating processing itself on fatigue life of the base alloys. Results are presented for three types of coatings, which are as follows: (1) a single layer boron silicon coating, (2) a single layer aluminum-boron-silicon coating, and (3) a multilayer coating consisting of an aluminum-boron-silicon sublayer with a boron-silicon outer layer.

  19. Isotopic clusters

    International Nuclear Information System (INIS)

    Spectra of isotopically mixed clusters (dimers of SF6) are calculated as well as transition frequencies. The result leads to speculations about the suitability of the laser-cluster fragmentation process for isotope separation. (Auth.)

  20. Feasibility Study and Demonstration of an Aluminum and Ice Solid Propellant

    Directory of Open Access Journals (Sweden)

    Timothee L. Pourpoint

    2012-01-01

    Full Text Available Aluminum-water reactions have been proposed and studied for several decades for underwater propulsion systems and applications requiring hydrogen generation. Aluminum and water have also been proposed as a frozen propellant, and there have been proposals for other refrigerated propellants that could be mixed, frozen in situ, and used as solid propellants. However, little work has been done to determine the feasibility of these concepts. With the recent availability of nanoscale aluminum, a simple binary formulation with water is now feasible. Nanosized aluminum has a lower ignition temperature than micron-sized aluminum particles, partly due to its high surface area, and burning times are much faster than micron aluminum. Frozen nanoscale aluminum and water mixtures are stable, as well as insensitive to electrostatic discharge, impact, and shock. Here we report a study of the feasibility of an nAl-ice propellant in small-scale rocket experiments. The focus here is not to develop an optimized propellant; however improved formulations are possible. Several static motor experiments have been conducted, including using a flight-weight casing. The flight weight casing was used in the first sounding rocket test of an aluminum-ice propellant, establishing a proof of concept for simple propellant mixtures making use of nanoscale particles.

  1. Hualu Aluminum Will Construct Large Coal-Power-Aluminum Aluminum Processing Industrial Chain

    Institute of Scientific and Technical Information of China (English)

    2015-01-01

    The reporter learned from relevant departments of Baiyin City that in order to further push forward industrial upgrading,fulfill expansion and consolidation of the enterprise,Gansu Hualu Aluminum Co.,Ltd(Hualu Aluminum)will implement Out-Of-City-Into-Park project,

  2. Meaningful Clusters

    Energy Technology Data Exchange (ETDEWEB)

    Sanfilippo, Antonio P.; Calapristi, Augustin J.; Crow, Vernon L.; Hetzler, Elizabeth G.; Turner, Alan E.

    2004-05-26

    We present an approach to the disambiguation of cluster labels that capitalizes on the notion of semantic similarity to assign WordNet senses to cluster labels. The approach provides interesting insights on how document clustering can provide the basis for developing a novel approach to word sense disambiguation.

  3. Electrocatalytic studies of osmium-ruthenium carbonyl cluster compounds for their application as methanol-tolerant cathodes for oxygen reduction reaction and carbon monoxide-tolerant anodes for hydrogen oxidation reaction

    Energy Technology Data Exchange (ETDEWEB)

    Borja-Arco, E.; Uribe-Godinez, J.; Castellanos, R.H. [Centro de Investigacion y Desarrollo Tecnologico en Electroquimica, Escobedo (Mexico); Altamirano-Gutierrez, A.; Jimenez-Sandoval, O. [Centro de Investigacion y de Estudios Avanzados del Inst. Politecnico Nacional, Querataro (Mexico)

    2006-07-01

    This paper provided details of an electrokinetic study of novel electrocatalytic materials capable of performing both the oxygen reduction reaction (ORR) and the hydrogen oxidation reaction (HOR). Osmium-ruthenium carbonyl cluster compounds (Os{sub x}Ru{sub 3}(CO){sub n}) were synthesized by chemical condensation in non-polar organic solvents at different boiling points and refluxing temperatures. Three different non-polar organic solvents were used: (1) n-nonane; o-xylene; and 1,2-dichlorobenzene. The electrocatalysts were characterized by Fourier Transform Infra-red (FTIR) spectroscopy, scanning electron microscopy (SEM) and X-ray diffraction (XRD). A rotating disk electrode technique was used to analyze the materials. Results of the analysis showed that the materials performed ORR in both the presence and absence of carbon monoxide (CO), and that electrocatalysts were not poisoned by the presence of CO. Cyclic voltamperometry for the disk electrodes showed that the electrochemical behaviour of the compounds in the acid electrolyte was similar in the presence or absence of methanol. The Tafel slope, exchange current density and the transfer coefficient were also investigated. The electrokinetic parameters for the ORR indicated that the materials with the highest electrocatalytic activity were synthesized in 1,2-dichlorobenzene. Electrocatalytic activity during HOR were prepared in n-nonane. It was concluded that the new materials are good candidates for use as both a cathode and an anode in proton exchange membrane fuel cells (PEMFCs) and direct methanol fuel cells (DMFCs). 7 refs., 2 tabs., 7 figs.

  4. Reaction of the C3(X1Σg+) carbon cluster with H2S(X1A1), hydrogen sulfide: Photon-induced formation of C3S, tricarbon sulfur

    International Nuclear Information System (INIS)

    In this paper we report on the neutral-neutral reaction of the C3 carbon cluster with H2S in solid inert argon at 12 K, conditions that mimic, in part, the surfaces of interstellar grains. In the first step of the reaction, a C3•H2S complex is formed via an almost barrierless entrance addition mechanism. This complex, stabilized by an estimated 7.45 kJ/mol (CCSD(T)/aug-cc-pVTZ//B3LYP/6-311++G(d,p) level), is formed by the interaction of a terminal carbon of C3 with a hydrogen in H2S. This con-covalent complex displays a band at 2044.1 cm−1 observed via Fourier transform infrared absorption spectroscopy. With the help of the MP2/aug-ccpVDZ level method, this band is assigned to the CC asymmetric vibration mode. When the complex is exposed to UV-visible photons (hν < 5.5 eV) the tricarbon sulfur C3S molecule is identified, based on the appearance of a characteristic CC stretching band at 2047.5 cm−1. Calculated ground-state potential energy surfaces also confirm the concomitant formation of molecular H2. This facile reaction pathway involves an attainable transition state of 174.4 kJ/mol. Conversely, competing lower-energy reaction pathways that would lead to the generation of H2C3S (propadienethione), or C2H2 (acetylene) and CS, involve much more complex, multi-stage pathways, and are not observed experimentally

  5. Gas evolution in aluminum electrolytic capacitors

    Energy Technology Data Exchange (ETDEWEB)

    Gomez-Aleixandre, C.; Albella, J.M.; Martinez-Duart, J.M.

    1984-03-01

    Gas evolution in aluminum electrolytic capacitors constitutes one of their main drawbacks in comparison to other types of capacitors lacking a liquid electrolyte. In this respect, one of the most common causes of failure shown by liquid electrolyte capacitors is electrolyte leakage through the seal or even explosions produced by internal pressure buildup. In order to prevent these hazards, some substances, known as depolarizers, are usually added to the capacitor electrolyte with the purpose of absorbing the hydrogen evolved at the cathode (1, 2). Although the gas evolution problem in electrolytic capacitors has been known for a long time, there is a lack of literature on both direct measurements of the gas evolved and assessments of the amount of depolarizer active for the hydrogen absorption process. Aluminum electrolytic capacitors of 100..mu..F and 40V nominal voltage, miniature type (diam 8 mm, height 18.5 mm), were manufactured under standard specifications. The capacitors were filled with about 0.5 ml of an electrolyte consisting essentially of a solution of boric, adipic, and phosphoric acids in ethylene glycol. Picric acid and p-benzoquinone in molar concentrations of 0.01M and 0.05M, respectively, were added as depolarizers, yielding an electrolyte with a resistivity of about 80 ..cap omega..-cm and a pH of 5.1. The pressure inside the capacitors was monitored by a conventional Ushaped manometer made from a capillary glass tube filled with distilled water. The number of mols of gas generated in the capacitor (/eta/ /SUB g/ ) was calculated from the measured pressure (sensitivity 0.1 mm Hg) and the value of the internal volume of the manometercapacitor system.

  6. Hydrogenation-induced microstructure changes in titanium

    Energy Technology Data Exchange (ETDEWEB)

    Laptev, R., E-mail: laptevrs@tpu.ru; Lider, A., E-mail: lider@tpu.ru; Bordulev, Yu., E-mail: bus@tpu.ru; Kudiiarov, V., E-mail: kudiyarov@tpu.ru; Garanin, G., E-mail: garaningv@tpu.ru

    2015-10-05

    Highlights: • Hydrogen induced microstructure changes in Ti studied by PL and DB spectroscopies. • Vacancies and vacancy clusters formed at concentration from 1.31 to 2.27 at.%. • Cluster-hydrogen and vacancy-hydrogen complexes formed at concentration up to 32 at.%. - Abstract: Microstructure changes of commercially pure titanium in a wide range of hydrogen concentrations from 0.8 at.% to 32.0 at.% were studied by means of positron lifetime spectroscopy and Doppler broadening spectroscopy. We have obtained new experimental data on the evolution of positron annihilation parameters τ{sub f}, τ{sub d} and their corresponding intensities I{sub f}, I{sub d,} as well as relative changes of parameters S/S{sub 0} and W/W{sub 0} depending on the hydrogen concentration in commercially pure titanium after gas-phase hydrogenation at 873 K. Results suggest that the hydrogenation of Ti samples up to concentrations of 1.31–2.27 at.% and subsequent cooling to a room temperature leads to the formation of vacancies and vacancy clusters. Further increase of the hydrogen concentration up to 32.0 at.% leads to the interaction of hydrogen with these defects and the formation of “cluster-hydrogen” and “vacancy-hydrogen” complexes.

  7. Validity of the Aluminum Equivalent Approximation in Space Radiation Shielding

    Science.gov (United States)

    Badavi, Francis F.; Adams, Daniel O.; Wilson, John W.

    2009-01-01

    thickness, the current range will be sufficient to evaluate the qualitative usefulness of the aluminum equivalent approximation. Upon establishing the inaccuracies of the aluminum equivalent approximation through numerical simulations of the GCR radiation field attenuation for PE and aluminum equivalent PE spherical shells, we Anther present results for a limited set of commercially available, hydrogen rich, multifunctional polymeric constituents to assess the effect of the aluminum equivalent approximation on their radiation attenuation response as compared to the generic PE.

  8. Spray Rolling Aluminum Strip

    Energy Technology Data Exchange (ETDEWEB)

    Lavernia, E.J.; Delplanque, J-P; McHugh, K.M.

    2006-05-10

    Spray forming is a competitive low-cost alternative to ingot metallurgy for manufacturing ferrous and non-ferrous alloy shapes. It produces materials with a reduced number of processing steps, while maintaining materials properties, with the possibility of near-net-shape manufacturing. However, there are several hurdles to large-scale commercial adoption of spray forming: 1) ensuring strip is consistently flat, 2) eliminating porosity, particularly at the deposit/substrate interface, and 3) improving material yield. Through this program, a new strip/sheet casting process, termed spray rolling, has been developed, which is an innovative manufacturing technique to produce aluminum net-shape products. Spray rolling combines the benefits of twin-roll casting and conventional spray forming, showing a promising potential to overcome the above hurdles associated with spray forming. Spray rolling requires less energy and generates less scrap than conventional processes and, consequently, enables the development of materials with lower environmental impacts in both processing and final products. Spray Rolling was developed as a collaborative project between the University of California-Davis, the Colorado School of Mines, the Idaho National Engineering and Environmental Laboratory, and an industry team. The following objectives of this project were achieved: (1) Demonstration of the feasibility of the spray rolling process at the bench-scale level and evaluation of the materials properties of spray rolled aluminum strip alloys; and (2) Demonstration of 2X scalability of the process and documentation of technical hurdles to further scale up and initiate technology transfer to industry for eventual commercialization of the process.

  9. Ultrahigh vacuum system with aluminum

    International Nuclear Information System (INIS)

    A bakeable vacuum chamber (1500C continuous) consists of aluminum alloy beam pipe (6063-T6) and bellows (5052-F) with an aluminum alloy flange (2219-T87) and a metal seal [Helicoflex-HN: pure aluminum (1050) O-ring with an elastic core (Ni base super alloy Inconel 750) which supplies the sealing force] has been constructed. The beam pipe and the flange (6063-T6/2219-T87), and the bellows and the flange (5052-F/2219-T87) were welded by an alternate current (50 Hz) TIG process using an aluminum alloy filler wire (4043). The mechanical properties of the aluminum alloy (2219-T87) is suitable for using the Helicoflex O-ring but the groove surface for the gasket is weak for scratching. Cromium-nitride coating by ion plating method was carried out on the aluminum surface of the gasket groove [thickness: 16 μm, micro Vickers hardness: 1800]. Ordinary stainless steel vacuum system can be replaced by the aluminum vacuum system in an accelerator. (author)

  10. Hydrogen Production

    Energy Technology Data Exchange (ETDEWEB)

    None

    2014-09-01

    This 2-page fact sheet provides a brief introduction to hydrogen production technologies. Intended for a non-technical audience, it explains how different resources and processes can be used to produce hydrogen. It includes an overview of research goals as well as “quick facts” about hydrogen energy resources and production technologies.

  11. The OLYMPUS internal hydrogen target

    Energy Technology Data Exchange (ETDEWEB)

    Bernauer, J.C., E-mail: bernauer@mit.edu [Massachusetts Institute of Technology, Laboratory for Nuclear Science, Cambridge, MA 02139 (United States); Carassiti, V.; Ciullo, G. [Istituto Nazionale di Fisica Nucleare and Università, 44100 Ferrara (Italy); Henderson, B.S. [Massachusetts Institute of Technology, Laboratory for Nuclear Science, Cambridge, MA 02139 (United States); Ihloff, E.; Kelsey, J. [Massachusetts Institute of Technology, Laboratory for Nuclear Science, Cambridge, MA 02139 (United States); MIT-Bates Linear Accelerator Center, Middleton, MA 01949 (United States); Lenisa, P. [Istituto Nazionale di Fisica Nucleare and Università, 44100 Ferrara (Italy); Milner, R. [Massachusetts Institute of Technology, Laboratory for Nuclear Science, Cambridge, MA 02139 (United States); MIT-Bates Linear Accelerator Center, Middleton, MA 01949 (United States); Schmidt, A. [Massachusetts Institute of Technology, Laboratory for Nuclear Science, Cambridge, MA 02139 (United States); Statera, M. [Istituto Nazionale di Fisica Nucleare and Università, 44100 Ferrara (Italy)

    2014-08-01

    An internal hydrogen target system was developed for the OLYMPUS experiment at DESY, in Hamburg, Germany. The target consisted of a long, thin-walled, tubular cell within an aluminum scattering chamber. Hydrogen entered at the center of the cell and exited through the ends, where it was removed from the beamline by a multistage pumping system. A cryogenic coldhead cooled the target cell to counteract heating from the beam and increase the density of hydrogen in the target. A fixed collimator protected the cell from synchrotron radiation and the beam halo. A series of wakefield suppressors reduced heating from beam wakefields. The target system was installed within the DORIS storage ring and was successfully operated during the course of the OLYMPUS experiment in 2012. Information on the design, fabrication, and performance of the target system is reported.

  12. The OLYMPUS Internal Hydrogen Target

    CERN Document Server

    Bernauer, J C; Ciullo, G; Henderson, B S; Ihloff, E; Kelsey, J; Lenisa, P; Milner, R; Schmidt, A; Statera, M

    2014-01-01

    An internal hydrogen target system was developed for the OLYMPUS experiment at DESY, in Hamburg, Germany. The target consisted of a long, thin-walled, tubular cell within an aluminum scattering chamber. Hydrogen entered at the center of the cell and exited through the ends, where it was removed from the beamline by a multistage pumping system. A cryogenic coldhead cooled the target cell to counteract heating from the beam and increase the density of hydrogen in the target. A fixed collimator protected the cell from synchrotron radiation and the beam halo. A series of wakefield suppressors reduced heating from beam wakefields. The target system was installed within the DORIS storage ring and was successfully operated during the course of the OLYMPUS experiment in 2012. Information on the design, fabrication, and performance of the target system is reported.

  13. Epitaxial clusters in single crystal hosts

    Energy Technology Data Exchange (ETDEWEB)

    Bohr, J. (Risoe National Lab., Roskilde (Denmark). Dept. of Solid State Physics)

    1991-01-01

    It is a general phenomenon for single crystal hosts that insoluble materials precipitate in the form of epitaxially aligned clusters. Such precipitates (or inclusions) are therefore coherently aligned and offer a unique model system for X-ray diffraction studies. In this paper, the general phenomenon of epitaxial clusters is discussed, and specific X-ray experiments on krypton as well as lead clusters in aluminum are presented. A hypothesis for the origin of epitaxial alignment is described and interfacial roughening is discussed. Also discussed is superheating and supercooling at the melting transition. (orig.).

  14. [Microbiological corrosion of aluminum alloys].

    Science.gov (United States)

    Smirnov, V F; Belov, D V; Sokolova, T N; Kuzina, O V; Kartashov, V R

    2008-01-01

    Biological corrosion of ADO quality aluminum and aluminum-based construction materials (alloys V65, D16, and D16T) was studied. Thirteen microscopic fungus species and six bacterial species proved to be able to attack aluminum and its alloys. It was found that biocorrosion of metals by microscopic fungi and bacteria was mediated by certain exometabolites. Experiments on biocorrosion of the materials by the microscopic fungus Alternaria alternata, the most active biodegrader, demonstrated that the micromycete attack started with the appearance of exudate with pH 8-9 on end faces of the samples. PMID:18669265

  15. Hydrogen economy

    Energy Technology Data Exchange (ETDEWEB)

    Pahwa, P.K.; Pahwa, Gulshan Kumar

    2013-10-01

    In the future, our energy systems will need to be renewable and sustainable, efficient and cost-effective, convenient and safe. Hydrogen has been proposed as the perfect fuel for this future energy system. The availability of a reliable and cost-effective supply, safe and efficient storage, and convenient end use of hydrogen will be essential for a transition to a hydrogen economy. Research is being conducted throughout the world for the development of safe, cost-effective hydrogen production, storage, and end-use technologies that support and foster this transition. This book discusses hydrogen economy vis-a-vis sustainable development. It examines the link between development and energy, prospects of sustainable development, significance of hydrogen energy economy, and provides an authoritative and up-to-date scientific account of hydrogen generation, storage, transportation, and safety.

  16. Data Clustering

    Science.gov (United States)

    Wagstaff, Kiri L.

    2012-03-01

    On obtaining a new data set, the researcher is immediately faced with the challenge of obtaining a high-level understanding from the observations. What does a typical item look like? What are the dominant trends? How many distinct groups are included in the data set, and how is each one characterized? Which observable values are common, and which rarely occur? Which items stand out as anomalies or outliers from the rest of the data? This challenge is exacerbated by the steady growth in data set size [11] as new instruments push into new frontiers of parameter space, via improvements in temporal, spatial, and spectral resolution, or by the desire to "fuse" observations from different modalities and instruments into a larger-picture understanding of the same underlying phenomenon. Data clustering algorithms provide a variety of solutions for this task. They can generate summaries, locate outliers, compress data, identify dense or sparse regions of feature space, and build data models. It is useful to note up front that "clusters" in this context refer to groups of items within some descriptive feature space, not (necessarily) to "galaxy clusters" which are dense regions in physical space. The goal of this chapter is to survey a variety of data clustering methods, with an eye toward their applicability to astronomical data analysis. In addition to improving the individual researcher’s understanding of a given data set, clustering has led directly to scientific advances, such as the discovery of new subclasses of stars [14] and gamma-ray bursts (GRBs) [38]. All clustering algorithms seek to identify groups within a data set that reflect some observed, quantifiable structure. Clustering is traditionally an unsupervised approach to data analysis, in the sense that it operates without any direct guidance about which items should be assigned to which clusters. There has been a recent trend in the clustering literature toward supporting semisupervised or constrained

  17. Chrome - Free Aluminum Coating System

    Science.gov (United States)

    Bailey, John H.; Gugel, Jeffrey D.

    2010-01-01

    This slide presentation concerns the program to qualify a chrome free coating for aluminum. The program was required due to findings by OSHA and EPA, that hexavalent chromium, used to mitigate corrosion in aerospace aluminum alloys, poses hazards for personnel. This qualification consisted of over 4,000 tests. The tests revealed that a move away from Cr+6, required a system rather than individual components and that the maximum corrosion protection required pretreatment, primer and topcoat.

  18. Biomimetic hydrogen production

    Energy Technology Data Exchange (ETDEWEB)

    Krassen, Henning

    2009-05-15

    Hydrogenases catalyze the reduction of protons to molecular hydrogen with outstanding efficiency. An electrode surface which is covered with active hydrogenase molecules becomes a promising alternative to platinum for electrochemical hydrogen production. To immobilize the hydrogenase on the electrode, the gold surface was modified by heterobifunctional molecules. A thiol headgroup on one side allowed the binding to the gold surface and the formation of a self-assembled monolayer. The other side of the molecules provided a surface with a high affinity for the hydrogenase CrHydA1 from Chlamydomonas reinhardtii. With methylviologen as a soluble energy carrier, electrons were transferred from carboxy-terminated electrodes to CrHydA1 and conducted to the active site (H-cluster), where they reduce protons to molecular hydrogen. A combined approach of surface-enhanced infrared absorption spectroscopy, gas chromatography, and surface plasmon resonance allowed quantifying the hydrogen production on a molecular level. Hydrogen was produced with a rate of 85 mol H{sub 2} min{sup -1} mol{sup -1}. On a 1'- benzyl-4,4'-bipyridinum (BBP)-terminated surface, the electrons were mediated by the monolayer and no soluble electron carrier was necessary to achieve a comparable hydrogen production rate (approximately 50% of the former system). The hydrogen evolution potential was determined to be -335 mV for the BBP-bound hydrogenase and -290 mV for the hydrogenase which was immobilized on a carboxy-terminated mercaptopropionic acid SAM. Therefore, both systems significantly reduce the hydrogen production overpotential and allow electrochemical hydrogen production at an energy level which is close to the commercially applied platinum electrodes (hydrogen evolution potential of -270 mV). In order to couple hydrogen production and photosynthesis, photosystem I (PS1) from Synechocystis PCC 6803 and membrane-bound hydrogenase (MBH) from Ralstonia eutropha were bound to each other

  19. A Virtual Aluminum Reduction Cell

    Science.gov (United States)

    Zhang, Hongliang; Zhou, Chenn Q.; Wu, Bing; Li, Jie

    2013-11-01

    The most important component in the aluminum industry is the aluminum reduction cell; it has received considerable interests and resources to conduct research to improve its productivity and energy efficiency. The current study focused on the integration of numerical simulation data and virtual reality technology to create a scientifically and practically realistic virtual aluminum reduction cell by presenting complex cell structures and physical-chemical phenomena. The multiphysical field simulation models were first built and solved in ANSYS software (ANSYS Inc., Canonsburg, PA, USA). Then, the methodology of combining the simulation results with virtual reality was introduced, and a virtual aluminum reduction cell was created. The demonstration showed that a computer-based world could be created in which people who are not analysis experts can see the detailed cell structure in a context that they can understand easily. With the application of the virtual aluminum reduction cell, even people who are familiar with aluminum reduction cell operations can gain insights that make it possible to understand the root causes of observed problems and plan design changes in much less time.

  20. Cluster Chemistry

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    @@ Cansisting of eight scientists from the State Key Laboratory of Physical Chemistry of Solid Surfaces and Xiamen University, this creative research group is devoted to the research of cluster chemistry and creation of nanomaterials.After three-year hard work, the group scored a series of encouraging progresses in synthesis of clusters with special structures, including novel fullerenes, fullerene-like metal cluster compounds as well as other related nanomaterials, and their properties study.

  1. Model Experiment of Thermal Runaway Reactions Using the Aluminum-Hydrochloric Acid Reaction

    Science.gov (United States)

    Kitabayashi, Suguru; Nakano, Masayoshi; Nishikawa, Kazuyuki; Koga, Nobuyoshi

    2016-01-01

    A laboratory exercise for the education of students about thermal runaway reactions based on the reaction between aluminum and hydrochloric acid as a model reaction is proposed. In the introductory part of the exercise, the induction period and subsequent thermal runaway behavior are evaluated via a simple observation of hydrogen gas evolution and…

  2. Hydrogen Spectrum

    Science.gov (United States)

    Murdin, P.

    2000-11-01

    The series of absorption or emission lines that are characteristic of the hydrogen atom. According to the Bohr theory of the hydrogen atom, devised by Danish physicist Neils Bohr (1885-1962) in 1913, the hydrogen atom can be envisaged as consisting of a central nucleus (a proton) around which a single electron revolves. The electron is located in one of a number of possible permitted orbits, each...

  3. Low-aluminum content iron-aluminum alloys

    Energy Technology Data Exchange (ETDEWEB)

    Sikka, V.K.; Goodwin, G.M.; Alexander, D.J. [and others

    1995-06-01

    The low-aluminum-content iron-aluminum program deals with the development of a Fe-Al alloy with aluminum content such as a produce the minimum environmental effect at room temperature. The FAPY is an Fe-16 at. % Al-based alloy developed at the Oak Ridge National Laboratory as the highest aluminum-containing alloy with essentially no environmental effect. The chemical composition for FAPY in weight percent is: aluminum = 8.46, chromium = 5.50, zirconium = 0.20, carbon = 0.03, molybdenum = 2.00, yttrium = 0.10 and iron = 83.71. The ignots of the alloy can be hot worked by extrusion, forging, and rolling processes. The hot-worked cast structure can be cold worked with intermediate anneals at 800{degrees}C. Typical room-temperature ductility of the fine-grained wrought structure is 20 to 25% for this alloy. In contrast to the wrought structure, the cast ductility at room temperature is approximately 1% with a transition temperature of approximately 100 to 150{degrees}C, above which ductility values exceed 20%. The alloy has been melted and processed into bar, sheet, and foil. The alloy has also been cast into slabs, step-blocks of varying thicknesses, and shapes. The purpose of this section is to describe the welding response of cast slabs of three different thicknesses of FAPY alloy. Tensile, creep, and Charpy-impact data of the welded plates are also presented.

  4. Fuzzy Clustering

    DEFF Research Database (Denmark)

    Berks, G.; Keyserlingk, Diedrich Graf von; Jantzen, Jan;

    2000-01-01

    -mean clustering is an easy and well improved tool, which has been applied in many medical fields. We used c-mean fuzzy clustering after feature extraction from an aphasia database. Factor analysis was applied on a correlation matrix of 26 symptoms of language disorders and led to five factors. The factors...

  5. Hydrogen generation from water and aluminum promoted by sodium stannate

    OpenAIRE

    Soler Turu, Lluis; Candela Soto, Angélica Maria; Macanás de Benito, Jorge; Muñoz Tapia, Maria; Casado Giménez, Juan

    2010-01-01

    A new process to obtain H2 from H2O using Al corrosion in Na2SnO3 solutions is described. Results showed an enhancement of H2 production rates using Na2SnO3 instead of NaOH at the same pH. A side reaction of Al in Na2SnO3 solutions has been found, which consumes Al to produce metallic Sn. H2 yield depends chiefly on Al/Na2SnO3 molar ratio for experiments with Na2SnO3 concentrations above 0.025 M, reaching higher yields with higher Al/Na2SnO3 ratios. The maximum H2 production rates are proport...

  6. Compositional changes of Pd-Au bimetallic nanoclusters upon hydrogenation

    OpenAIRE

    Di Vece, M; Bals, S.; Verbeeck, J.; Lievens, P.; van Tendeloo, G.

    2009-01-01

    Changes in the size distribution and composition of bimetallic Pd-Au nanoclusters have been observed after hydrogen exposure. This effect is caused by hydrogen-induced Ostwald ripening whereby the hydrogen reduces the binding energy of the cluster atoms leading to their detachment from the cluster. The composition changes due to a difference in mobility of the detached palladium and gold atoms on the surface. Fast palladium atoms contribute to the formation of larger nanoclusters, while the s...

  7. The effects of surface treatment and stannate as an electrolyte additive on the corrosion and electrochemical performances of pure aluminum in an alkaline methanol-water solution

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, X.X. [Department of Chemistry, Zhejiang University, Zheda Road 38, Hangzhou 310027, Zhejiang (China); Wang, J.M., E-mail: wjm@zju.edu.cn [Department of Chemistry, Zhejiang University, Zheda Road 38, Hangzhou 310027, Zhejiang (China); Wang, Q.L.; Kong, D.S.; Shao, H.B. [Department of Chemistry, Zhejiang University, Zheda Road 38, Hangzhou 310027, Zhejiang (China); Zhang, J.Q.; Cao, C.N. [Department of Chemistry, Zhejiang University, Zheda Road 38, Hangzhou 310027, Zhejiang (China); State Key Laboratory for Corrosion and Protection of Metal, Institute of Metal Research, Chinese Academy of Sciences, 62 Wencui Road, Shenyang 110016 (China)

    2010-06-01

    Pure aluminum electrodes were treated in alkaline stannate solutions, and the effects of some factors such as NaOH content and treating time were explored. The corrosion and electrochemical performances of the modified aluminum anodes in 4.0 M KOH methanol-water mixed solutions containing a methanol/water volume ratio of 7:3 (30% water) with and without stannate were investigated by means of hydrogen collection, polarization curve, galvanostatic discharge, scanning electron microscopy (SEM), and energy dispersive analysis of X-ray (EDAX). Metallic tin with high hydrogen evolution overpotential was deposited in aluminum surfaces by the modification treatments using stannate, resulting in the relatively low corrosion rate and markedly enhanced discharge performance of the modified aluminum anodes. In our experimental range the aluminum electrode treated in the solution with 0.1 M NaOH for 30 min showed lower corrosion rate and better discharge performance. The addition of Na{sub 2}SnO{sub 3} in 4.0 M KOH methanol-water mixed solutions with 30% water inhibited the corrosion of the aluminum electrodes modified in the treating solution with 0.1 M NaOH for 30 min, resulting from the deposition of tin with high hydrogen evolution overpotential in aluminum surfaces. The deposition of metallic tin on the electrode surface and the existence of stannate in the electrolytes were responsible for the notable enhancement in the discharge performance of the modified aluminum anode.

  8. Scaleable Clean Aluminum Melting Systems

    Energy Technology Data Exchange (ETDEWEB)

    Han, Q.; Das, S.K. (Secat, Inc.)

    2008-02-15

    The project entitled 'Scaleable Clean Aluminum Melting Systems' was a Cooperative Research and Development Agreements (CRADAs) between Oak Ridge National Laboratory (ORNL) and Secat Inc. The three-year project was initially funded for the first year and was then canceled due to funding cuts at the DOE headquarters. The limited funds allowed the research team to visit industrial sites and investigate the status of using immersion heaters for aluminum melting applications. Primary concepts were proposed on the design of furnaces using immersion heaters for melting. The proposed project can continue if the funding agency resumes the funds to this research. The objective of this project was to develop and demonstrate integrated, retrofitable technologies for clean melting systems for aluminum in both the Metal Casting and integrated aluminum processing industries. The scope focused on immersion heating coupled with metal circulation systems that provide significant opportunity for energy savings as well as reduction of melt loss in the form of dross. The project aimed at the development and integration of technologies that would enable significant reduction in the energy consumption and environmental impacts of melting aluminum through substitution of immersion heating for the conventional radiant burner methods used in reverberatory furnaces. Specifically, the program would couple heater improvements with furnace modeling that would enable cost-effective retrofits to a range of existing furnace sizes, reducing the economic barrier to application.

  9. Hydrogen generation by aluminum corrosion in seawater promoted by suspensions of aluminum hydroxide

    Energy Technology Data Exchange (ETDEWEB)

    Soler, Lluis; Candela, Angelica Maria; Macanas, Jorge; Munoz, Maria; Casado, Juan [Centre Grup de Tecniques de Separacio en Quimica (GTS), Unitat de Quimica Analitica, Departament de Quimica, Universitat Autonoma de Barcelona, Edifici C - Campus de la UAB s/n, 08193 Bellaterra, Barcelona, Catalonia (Spain)

    2009-10-15

    Nowadays, new processes of H{sub 2} generation from water via Al corrosion are mainly limited by Al passivation. Here we report on the systematic assessment of H{sub 2} production by corrosion of Al in seawater suspensions prepared with NaAlO{sub 2}. The reported results are encouraging, since it was observed that seawater suspensions tested can prevent Al passivation during H{sub 2} evolution, reaching 100% yields at ca. 700 cm{sup 3} H{sub 2} min{sup -1}. XRD analysis revealed the formation of solid Al(OH){sub 3} (bayerite) in initial seawater suspensions. So, model suspensions were prepared using NaAlO{sub 2} + Al(OH){sub 3} in distilled water, which even improved the results obtained in seawater. Suspended particles of Al(OH){sub 3} act as nuclei in a mechanism of seeded crystallization, which prevents Al surface passivation. Moreover, a synergistic effect of Al(OH){sub 3} suspensions in combination with NaAlO{sub 2} solutions was key in promoting Al corrosion. The effect of NaCl in aqueous suspensions was also studied, but it was insignificant compared to this synergistic effect. The composition of suspensions was optimized and a 0.01 M NaAlO{sub 2} solution with 20 g dm{sup -3} Al(OH){sub 3} was selected as candidate to generate H{sub 2} at pH ca. 12 with high efficiency. Consecutive runs of the selected composition were performed obtaining ca. 90% yields in all of them. (author)

  10. Weighted Clustering

    CERN Document Server

    Ackerman, Margareta; Branzei, Simina; Loker, David

    2011-01-01

    In this paper we investigate clustering in the weighted setting, in which every data point is assigned a real valued weight. We conduct a theoretical analysis on the influence of weighted data on standard clustering algorithms in each of the partitional and hierarchical settings, characterising the precise conditions under which such algorithms react to weights, and classifying clustering methods into three broad categories: weight-responsive, weight-considering, and weight-robust. Our analysis raises several interesting questions and can be directly mapped to the classical unweighted setting.

  11. Cluster analysis

    CERN Document Server

    Everitt, Brian S; Leese, Morven; Stahl, Daniel

    2011-01-01

    Cluster analysis comprises a range of methods for classifying multivariate data into subgroups. By organizing multivariate data into such subgroups, clustering can help reveal the characteristics of any structure or patterns present. These techniques have proven useful in a wide range of areas such as medicine, psychology, market research and bioinformatics.This fifth edition of the highly successful Cluster Analysis includes coverage of the latest developments in the field and a new chapter dealing with finite mixture models for structured data.Real life examples are used throughout to demons

  12. Cluster editing

    DEFF Research Database (Denmark)

    Böcker, S.; Baumbach, Jan

    2013-01-01

    The Cluster Editing problem asks to transform a graph into a disjoint union of cliques using a minimum number of edge modifications. Although the problem has been proven NP-complete several times, it has nevertheless attracted much research both from the theoretical and the applied side. The...... algorithms for biological problems. © 2013 Springer-Verlag....... problem has been the inspiration for numerous algorithms in bioinformatics, aiming at clustering entities such as genes, proteins, phenotypes, or patients. In this paper, we review exact and heuristic methods that have been proposed for the Cluster Editing problem, and also applications of these...

  13. Rechargeable Aluminum-Ion Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Paranthaman, Mariappan Parans [ORNL; Liu, Hansan [ORNL; Sun, Xiao-Guang [ORNL; Dai, Sheng [ORNL; Brown, Gilbert M [ORNL

    2015-01-01

    This chapter reports on the development of rechargeable aluminum-ion batteries. A possible concept of rechargeable aluminum/aluminum-ion battery based on low-cost, earth-abundant Al anode, ionic liquid EMImCl:AlCl3 (1-ethyl-3-methyl imidazolium chloroaluminate) electrolytes and MnO2 cathode has been proposed. Al anode has been reported to show good reversibility in acid melts. However, due to the problems in demonstrating the reversibility in cathodes, alternate battery cathodes and battery concepts have also been presented. New ionic liquid electrolytes for reversible Al dissolution and deposition are needed in the future for replacing corrosive EMImCl:AlCl3 electrolytes.

  14. Experimental studies of thermal and chemical interactions between molten aluminum and nuclear dispersion fuels with water

    International Nuclear Information System (INIS)

    Because of the possibility of rapid physical and chemical molten fuel-water interactions during a core melt accident in noncommercial or experimental reactors, it is important to understand the interactions that might occur if these materials were to contact water. An existing vertical 1-D shock tube facility was improved and a gas sampling device to measure the gaseous hydrogen in the upper chamber of the shock tube was designed and built to study the impact of a water column driven downward by a pressurized gas onto both molten aluminum (6061 alloy) and oxide and silicide depleted nuclear dispersion fuels in aluminum matrices. The experiments were carried out with melt temperatures initially at 750 to 1,000 C and water at room temperature and driving pressures of 0.5 and 1 MPa. Very high transient pressures, in many cases even larger than the thermodynamic critical pressure of the water (∼ 20 MPa), were generated due to the interactions between the water and the crucible and its contents. The molten aluminum always reacted chemically with the water but the reaction did not increase consistently with increasing melt temperature. An aluminum ignition occurred when water at room temperature impacted 28.48 grams of molten aluminum at 980.3 C causing transient pressures greater than 69 MPa. No signs of aluminum ignition were observed in any of the experiments with the depleted nuclear dispersion fuels, U3O8-Al and U3Si2-Al. The greater was the molten aluminum-water chemical reaction, the finer was the debris recovered for a given set of initial conditions. Larger coolant velocities (larger driving pressures) resulted in more melt fragmentation but did not result in more molten aluminum-water chemical reaction. Decreasing the water temperature also resulted in more melt fragmentation and did not suppress the molten aluminum-water chemical reaction

  15. SCALEUP OF ALUMINUM PHOSPHATE CATALYST FOR PILOT PLANT LPDMEtm RUN

    Energy Technology Data Exchange (ETDEWEB)

    Andrew W. Wang

    2002-01-01

    The Liquid Phase Dimethyl Ether (LPDME{trademark}) process converts synthesis gas to dimethyl ether in a single slurry bubble column reactor. A mixed slurry of methanol synthesis catalyst and methanol dehydration catalyst in a neutral mineral oil simultaneously synthesizes methanol from syngas and converts some of it to dimethyl ether and water. The reaction scheme is shown below: 2H{sub 2} + CO = CH{sub 3}OH; 2CH{sub 3}OH = CH{sub 3}OCH{sub 3} + H{sub 2}O; H{sub 2}O + CO = CO{sub 2} + H{sub 2}. Most of the water produced in this reaction is converted to hydrogen by reduction with carbon monoxide (water gas shift reaction). This synergy permits higher per pass conversion than methanol synthesis alone. The enhancement in conversion occurs because dehydration of the methanol circumvents the equilibrium constraint of the syngas-to-methanol step. The slurry bubble column reactor provides the necessary heat transfer capacity to handle the greater heat duty associated with high conversion. In order to improve the stability of the catalyst system, non-stoichiometric aluminum phosphate was proposed as the dehydration catalyst for the LPDME{trademark} process. This aluminum phosphate material is a proprietary catalyst. This catalyst system of a standard methanol catalyst and the aluminum phosphate provided stable process performance that met the program targets under our standard test process conditions in the laboratory. These targets are (1) an initial methanol equivalent productivity of 28 gmol/kg/hr, (2) a CO{sub 2}-free, carbon selectivity of 80% to dimethyl ether and (3) stability of both catalysts equivalent to that of the methanol catalyst in the absence of the aluminum phosphate. A pilot plant trial of the LPDME{trademark} process using the aluminum phosphate catalyst was originally planned for March 1998 at the DOE-owned, Air Products (APCI)-operated facility at LaPorte, Texas. Because the aluminum phosphate catalyst is not commercially available, we initiated a

  16. SCALEUP OF ALUMINUM PHOSPHATE CATALYST FOR PILOT PLANT LPDMEtm RUN

    Energy Technology Data Exchange (ETDEWEB)

    Andrew W. Wang

    2002-05-15

    The Liquid Phase Dimethyl Ether (LPDME{trademark}) process converts synthesis gas to dimethyl ether in a single slurry bubble column reactor. A mixed slurry of methanol synthesis catalyst and methanol dehydration catalyst in a neutral mineral oil simultaneously synthesizes methanol from syngas and converts some of it to dimethyl ether and water. The reaction scheme is: 2H{sub 2} + CO = CH{sub 3}OH 2CH{sub 3}OH = CH{sub 3}OCH{sub 3} + H{sub 2}O H{sub 2}O + CO = CO{sub 2} + H{sub 2}. Most of the water produced in this reaction is converted to hydrogen by reduction with carbon monoxide (water gas shift reaction). This synergy permits higher per pass conversion than methanol synthesis alone. The enhancement in conversion occurs because dehydration of the methanol circumvents the equilibrium constraint of the syngas-to-methanol step. The slurry bubble column reactor provides the necessary heat transfer capacity to handle the greater heat duty associated with high conversion. In order to improve the stability of the catalyst system, non-stoichiometric aluminum phosphate was proposed as the dehydration catalyst for the LPDME{trademark} process. This aluminum phosphate material is a proprietary catalyst. This catalyst system of a standard methanol catalyst and the aluminum phosphate provided stable process performance that met the program targets under our standard test process conditions in the laboratory. These targets are (1) an initial methanol equivalent productivity of 28 gmol/kg/hr, (2) a CO{sub 2}-free, carbon selectivity of 80% to dimethyl ether and (3) stability of both catalysts equivalent to that of the methanol catalyst in the absence of the aluminum phosphate. A pilot plant trial of the LPDME{trademark} process using the aluminum phosphate catalyst was originally planned for March 1998 at the DOE-owned, Air Products (APCI)-operated facility at LaPorte, Texas. Because the aluminum phosphate catalyst is not commercially available, we initiated a scaleup project

  17. 21 CFR 172.310 - Aluminum nicotinate.

    Science.gov (United States)

    2010-04-01

    ... Special Dietary and Nutritional Additives § 172.310 Aluminum nicotinate. Aluminum nicotinate may be safely... additive, expressed as niacin, shall appear on the label of the food additive container or on that of...

  18. Baise to Build Ecological Aluminum Industry Base

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    <正>The government of Baise announced the construction of an ecological aluminum industry base over the next few years,pledging to turn the city into a major aluminum industry base in China and the rest of Asia.

  19. Environmental Control over the Primary Aluminum Industry

    Institute of Scientific and Technical Information of China (English)

    2004-01-01

    <正> To strengthen environmental control over theprimary aluminum industry,the State Environ-mental Protection Administration of China hasrecently issued a notice addressing the follow-ing points:Strengthening environmental control over theexisting primary aluminum companies

  20. Decreasing residual aluminum level in drinking water

    Institute of Scientific and Technical Information of China (English)

    王志红; 崔福义

    2004-01-01

    The relativity of coagulant dosage, residual turbidity, temperature, pH etc. with residual aluminum concentration were investigated, and several important conclusions were achieved. Firstly, dosage of alum-coagulant or PAC1 influences residual aluminum concentration greatly. There is an optimal-dosage-to-aluminum, a bit less than the optimal-dosage-to-turbidity. Secondly, it proposes that decreasing residual aluminum concentration can be theoretically divided into two methods, either decreasing (even removing) the concentration of particulate aluminum component, or decreasing dissolved aluminum. In these tests there is an optimal value of residual turbidity of postprecipitation at 7.0 NTU. Thirdly, residual aluminum level will increase while water temperature goes higher. At the last, optimal pH value corresponds a minimum dissolved aluminum at a given turbidity. Data shows the optimal pH value decreases with water temperature's increasing.

  1. OPTIMIZING AN ALUMINUM EXTRUSION PROCESS

    Directory of Open Access Journals (Sweden)

    Mohammed Ali Hajeeh

    2013-01-01

    Full Text Available Minimizing the amount of scrap generated in an aluminum extrusion process. An optimizing model is constructed in order to select the best cutting patterns of aluminum logs and billets of various sizes and shapes. The model applied to real data obtained from an existing extrusion factory in Kuwait. Results from using the suggested model provided substantial reductions in the amount of scrap generated. Using sound mathematical approaches contribute significantly in reducing waste and savings when compared to the existing non scientific techniques.

  2. 75 FR 70689 - Kaiser Aluminum Fabricated Products, LLC; Kaiser Aluminum-Greenwood Forge Division; Currently...

    Science.gov (United States)

    2010-11-18

    ... in the Federal Register on November 17, 2009 (74 FR 59254). At the request of the State agency and a... Employment and Training Administration Kaiser Aluminum Fabricated Products, LLC; Kaiser Aluminum- Greenwood... Aluminum Fabricated Products, LLC, Kaiser Aluminum-Greenwood Forge Division, including on- site...

  3. Corrosion and electrochemical behaviors of pure aluminum in novel KOH-ionic liquid-water solutions

    Energy Technology Data Exchange (ETDEWEB)

    Wang, J.M.; Wang, J.B.; Shao, H.B.; Zeng, X.X. [Department of Chemistry, Zhejiang University, Hangzhou 310027, (China); Zhang, J.Q.; Cao, C.N. [Department of Chemistry, Zhejiang University, Hangzhou 310027, (China); State Key Laboratory for Corrosion and Protection of Metal, Institute of Metal Research, Chinese Academy of Sciences, 62 Wencui Road, Shenyang 110016, (China)

    2009-12-15

    The corrosion and electrochemical behaviors of pure aluminum in KOH-ionic liquid-water solutions with variable volume ratios of water and the ionic liquid 1-butyl-3-methyl imidazolium tetrafluoroborate (BMIMBF{sub 4}) were for the first time investigated by means of hydrogen collection, polarization curve, galvanostatic discharge, and electrochemical impedance spectroscopy (EIS). The results of hydrogen collection experiments showed that aluminum has a low corrosion rate in KOH-BMIMBF{sub 4}-H{sub 2}O solutions, and the corrosion rate decreases with increase in BMIMBF{sub 4} content in the electrolytes. The results of electrochemical experiments revealed that aluminum is electrochemically active over a very wide potential window in the KOH-BMIMBF{sub 4}-H{sub 2}O solutions, and its electrochemically kinetic mechanism is similar to that in the corresponding aqueous solution; the increase in KOH and water contents in the electrolytes may improve the anodic dissolution performance of aluminum. It was found that aluminum presents excellent galvanostatic discharge performance in the 2.0 M KOH BMIMBF{sub 4}-H{sub 2}O mixed solution with 60% water. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  4. Evaluation of Aluminum in Iranian Consumed Tea

    OpenAIRE

    Alireza Asgari; Mahdi Ahmadi Moghaddam; Amirhossein Mahvi; Masoud Yonesian

    2008-01-01

    Introduction: Black tea leaf is one of the most important sources of Aluminum in dietary. Therefore this research was conducted to assess the amount of Aluminum in Iranian tea infusion. Methods: To assess Aluminum in Iranian consumed tea, 27 tea samples were analyzed for Al concentration for 10 and 60 min infusion, aluminum concentration was measured with atomic absorption and the results were analyzed by SPSS.13 version. Results: The results showed that minimum and maximum concentration of A...

  5. Mineral resource of the month: aluminum

    Science.gov (United States)

    Bray, E. Lee

    2012-01-01

    The article offers information on aluminum, a mineral resource which is described as the third-most abundant element in Earth's crust. According to the article, aluminum is the second-most used metal. Hans Christian Oersted, a Danish chemist, was the first to isolate aluminum in the laboratory. Aluminum is described as lightweight, corrosion-resistant and an excellent conductor of electricity and heat.

  6. Electrochemical Behavior of Aluminum in Nitric Acid

    Institute of Scientific and Technical Information of China (English)

    CHEN; Hui; ZHU; Li-yang; LIN; Ru-shan; TAN; Hong-bin; HE; Hui

    2013-01-01

    Aluminum is one of cladding materials for nuclear fuel,it is important to investigate the electrolytic dissolution of aluminum in nitric acid.The electrochemical impedance spectroscopy,polarization curve and cyclic voltammetry cure of anodic aluminum electrode in nitric acid under various conditions were collected(Fig.1).It turns out,under steady state,the thickness of the passivated film of aluminum

  7. Ultrasonic degradation of Rhodamine B in the presence of hydrogen peroxide and some metal oxide.

    Science.gov (United States)

    Mehrdad, Abbas; Hashemzadeh, Robab

    2010-01-01

    In this research, degradation of Rodamine B in the presence of (hydrogen peroxide), (hydrogen peroxide+ultrasound), (hydrogen peroxide+aluminum oxide), (hydrogen peroxide+aluminum oxide+ultrasound with different ultrasound power), (hydrogen peroxide+iron oxide) and (hydrogen peroxide+iron oxide+ultrasound with different ultrasound power) were investigated at 25 degrees C. The apparent rate constants for the examined systems were calculated by pseudo-first-order kinetics. The results indicate that the rate of degradation was accelerated by ultrasound. The rate of degradation was increased by increasing power ultrasound. The efficiency of the (hydrogen peroxide+iron oxide+ultrasound) system for degradation of Rodamine B was higher than the others examined.

  8. Controlling Hydrogenation of Graphene on Ir(111)

    DEFF Research Database (Denmark)

    Balog, Richard; Andersen, Mie; Jørgensen, Bjarke;

    2013-01-01

    Combined fast X-ray photoelectron spectroscopy and density functional theory calculations reveal the presence of two types of hydrogen adsorbate structures at the graphene/ Ir(111) interface, namely, graphane-like islands and hydrogen dimer structures. While the former give rise to a periodic...... pattern, dimers tend to destroy the periodicity. Our data reveal distinctive growth rates and stability of both types of structures, thereby allowing one to obtain well-defined patterns of hydrogen clusters. The ability to control and manipulate the formation and size of hydrogen structures on graphene...

  9. Guangxi Aluminum Giant Made Investment in Changfeng

    Institute of Scientific and Technical Information of China (English)

    2012-01-01

    <正>A aluminum processing and supporting project (450,000 tons) of Hefei Guangyin Aluminum Company kicked off in Xiatang Town of Changfeng County recently. It is a project jointly invested by Guangxi Investment Group and Guangxi Baise Guangyin Aluminum in Xiatang Town of Changfeng County.

  10. 21 CFR 73.2645 - Aluminum powder.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 1 2010-04-01 2010-04-01 false Aluminum powder. 73.2645 Section 73.2645 Food and... ADDITIVES EXEMPT FROM CERTIFICATION Cosmetics § 73.2645 Aluminum powder. (a) Identity and specifications. The color additive aluminum powder shall conform in identity and specifications to the requirements...

  11. 21 CFR 182.1125 - Aluminum sulfate.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Aluminum sulfate. 182.1125 Section 182.1125 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR... Substances § 182.1125 Aluminum sulfate. (a) Product. Aluminum sulfate. (b) Conditions of use. This...

  12. 21 CFR 582.1125 - Aluminum sulfate.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Aluminum sulfate. 582.1125 Section 582.1125 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1125 Aluminum sulfate. (a) Product. Aluminum sulfate. (b) Conditions of use. This...

  13. H2在Aln Cr(n=1-7)团簇上吸附和解离的密度泛函研究%Density functional theoretical investigation for the adsorption and dissociation of molecular hydrogen on AlnCr(n=1-7) clusters

    Institute of Scientific and Technical Information of China (English)

    李向富; 李高清

    2015-01-01

    The adsorption and dissociation of molecular hydrogen on AlnCr(n=1-7) clusters are investigated by using the method of B3LYP in density functional theory. The results show that the structures of AlnCr clusters are similar to those of Aln+1 clusters. H2 is easily adsorbed physically on Cr atom with a side-on orientation. The bond length of H-H increases slightly. The vibration frequency of H2 adsorbed is smaller than that of free molecular H2, namely, a red-shift occurs. Except for n=5, the most stable structures of the other AlnCrH2 clusters are composed by the most stable structures of AlnCr clusters and two H atoms. Charge transfers from AlnCr clusters to H atoms. Average binding energy, vertical ionization potential and energy gap of AlnCrH2 clus-ters are all greater than those of AlnCr clusters, namely AlnCrH2 clusters are more stable than AlnCr clusters. Al7Cr cluster shows stronger inertness for chemical adsorption of H2, while AlnCrH2(n=1,2,6) show stronger chemical activity. The physical and chemical adsorption behavior of H2 on AlnCr clusters can be adjusted by changing the number of Al atom in AlnCr clusters from tracking the chemical reaction path.%采用密度泛函理论中的B3LYP方法研究了H2在AlnCr(n=1-7)团簇上的吸附和解离。结果表明:Aln Cr团簇结构与Aln+1团簇结构相似;物理吸附是H2以侧向的形式吸附在Cr原子上,H-H键长略微增长,H2的振动频率发生了红移;除了n=5外,其它Aln CrH2团簇的最稳定结构均是Aln Cr团簇的最稳定结构与两个氢原子成键而成;Aln Cr团簇向H原子转移了电荷;Aln CrH2团簇的平均结合能,垂直电离势和能隙均大于Aln Cr团簇的,即Aln CrH2团簇比Aln Cr团簇更稳定;Al7 Cr对H2的化学吸附表现出较强的惰性,而AlnCrH2(n=1,2,6)则表现出较强的化学活性;由化学反应路径跟踪可知,通过改变AlnCr团簇中Al原子的个数可以调节H2的物理化学吸附行为。

  14. TEST RESULTS FROM GAMMA IRRADIATION OF ALUMINUM OXYHYDROXIDES

    Energy Technology Data Exchange (ETDEWEB)

    Fisher, D.; Westbrook, M.; Sindelar, R.

    2012-02-01

    Hydrated metal oxides or oxyhydroxides boehmite and gibbsite that can form on spent aluminum-clad nuclear fuel assemblies during in-core and post-discharge wet storage were exposed as granular powders to gamma irradiation in a {sup 60}Co irradiator in closed laboratory test vessels with air and with argon as separate cover gases. The results show that boehmite readily evolves hydrogen with exposure up to a dose of 1.8 x 10{sup 8} rad, the maximum tested, in both a full-dried and moist condition of the powder, whereas only a very small measurable quantity of hydrogen was generated from the granular powder of gibbsite. Specific information on the test setup, sample characteristics, sample preparation, irradiation, and gas analysis are described.

  15. Energetics of H$_2$ clusters from density functional and coupled cluster theories

    CERN Document Server

    Trail, J R; Needs, R J

    2016-01-01

    We use coupled-cluster quantum chemical methods to calculate the energetics of molecular clusters cut out of periodic molecular hydrogen structures that model observed phases of solid hydrogen. The hydrogen structures are obtained from Kohn-Sham density functional theory (DFT) calculations at pressures of 150, 250 and 350 GPa, which are within the pressure range in which phases II, III and IV are found to be stable. The calculated deviations in the DFT energies from the coupled-cluster data are reported for different functionals, and optimized functionals are generated which provide reduced errors. We give recommendations for semi-local and hybrid density functionals that are expected to accurately describe hydrogen at high pressures.

  16. Ground state structures and properties of Si3H ( = 1–6) clusters

    Indian Academy of Sciences (India)

    D Balamurugan; R Prasad

    2003-01-01

    The ground state structures and properties of Si3H (1 ≤ ≤ 6) clusters have been calculated using Car–Parrinello molecular dynamics with simulated annealing and steepest descent optimization methods. We have studied cohesive energy per particle and first excited electronic level gap of the clusters as a function of hydrogenation. Hydrogenation is done till all dangling bonds of silicon are saturated. Our results show that over coordination of hydrogen is favoured in Si3H clusters and the geometry of Si3 cluster does not change due to hydrogenation. Cohesive energy per particle and first excited electronic level gap study of the clusters show that Si3H6 cluster is most stable and Si3H3 cluster is most unstable among the clusters considered here.

  17. Interplay between experiments and calculations for organometallic clusters and caged clusters

    Energy Technology Data Exchange (ETDEWEB)

    Nakajima, Atsushi [Department of Chemistry, Faculty of Science and Technology, Keio University, 3-14-1 Hiyoshi, Yokohama 223-8522 (Japan); Nakajima Designer Nanocluster Assembly Project, ERATO, JST, KSP, 3-2-1 Sakado, Kawasaki 213-0012 (Japan); Keio Institute of Pure and Applied Sciences (KiPAS), Keio University, 3-14-1 Hiyoshi, Yokohama 223-8522 (Japan)

    2015-12-31

    Clusters consisting of 10-1000 atoms exhibit size-dependent electronic and geometric properties. In particular, composite clusters consisting of several elements and/or components provide a promising way for a bottom-up approach for designing functional advanced materials, because the functionality of the composite clusters can be optimized not only by the cluster size but also by their compositions. In the formation of composite clusters, their geometric symmetry and dimensionality are emphasized to control the physical and chemical properties, because selective and anisotropic enhancements for optical, chemical, and magnetic properties can be expected. Organometallic clusters and caged clusters are demonstrated as a representative example of designing the functionality of the composite clusters. Organometallic vanadium-benzene forms a one dimensional sandwich structure showing ferromagnetic behaviors and anomalously large HOMO-LUMO gap differences of two spin orbitals, which can be regarded as spin-filter components for cluster-based spintronic devices. Caged clusters of aluminum (Al) are well stabilized both geometrically and electronically at Al{sub 12}X, behaving as a “superatom”.

  18. Efficient Synthesis of an Aluminum Amidoborane Ammoniate

    Directory of Open Access Journals (Sweden)

    Junzhi Yang

    2015-08-01

    Full Text Available A novel species of metal amidoborane ammoniate, [Al(NH2BH363−][Al(NH363+] has been successfully synthesized in up to 95% via the one-step reaction of AlH3·OEt2 with liquid NH3BH3·nNH3 (n = 1~6 at 0 °C. This solution based reaction method provides an alternative pathway to the traditional mechano-chemical ball milling methods, avoiding possible decomposition. MAS 27Al NMR spectroscopy confirms the formulation of the compound as an Al(NH2BH363− complex anion and an Al(NH363+ cation. Initial dehydrogenation studies of this aluminum based M-N-B-H compound demonstrate that hydrogen is released at temperatures as low as 65 °C, totaling ~8.6 equivalents of H2 (10.3 wt % upon heating to 105 °C. This method of synthesis offers a promising route towards the large scale production of metal amidoborane ammoniate moieties.

  19. Time exposure studies on stress corrosion cracking of aluminum 2014-T6, aluminum 7075-T651, and titanium 6Al-4V

    Science.gov (United States)

    Terrell, J.

    1972-01-01

    The effect of a constant applied stress in crack initiation of aluminum 2014-T6, 7075-T651 and titanium 6A1-4V has been investigated. Aluminum c-ring specimens (1-inch diameter) and u-band titanium samples were exposed continuously to a 3.5% NaCl solution (pH 6) and organic fluids of ethyl, methyl, and iso-propyl alcohol (reagent purity). Corrosive action was observed to begin during the first and second day of constant exposure as evidenced by accumulation of hydrogen bubbles on the surface of stressed aluminum samples. However, a similar observation was not noted for titanium stressed specimens. Results of this investigation seems to suggest that aluminum 2014-T6, aluminum 7075-T651 are susceptible to stress corrosion cracking in chloride solution (NaCl); while they (both alloys) seem to resist stress corrosion cracking in methyl alcohol, ethyl alcohol, iso-propyl alcohol, and demineralized distilled water. Titanium 6A1-4V showed some evidence of susceptibility to SCC in methanol, while no such susceptibility was exhibited in ethanol, iso-propyl alcohol and demineralized distilled water.

  20. Indication of a size-dependent transition from molecular to dissociative chemisorption on clusters

    OpenAIRE

    Burkart, Stefan; Blessing, Nico; Ganteför, Gerd

    1999-01-01

    We report experimental indications for a size-dependent change of the chemical nature of chemisorption on small atomic clusters. We studied chemisorption of atomic hydrogen on negatively charged Tin- clusters using mass and photoelectron spectroscopy. Our experimental data support the assumption that for clusters with up to four Ti atoms, adsorption of intact H2 molecules is the energetically preferred configuration. For larger Tin clusters with n>4, dissociative hydrogen chemisorption is the...

  1. Statistical theory for hydrogen bonding fluid system of AaDd type (Ⅱ): Properties of hydrogen bonding networks

    Institute of Scientific and Technical Information of China (English)

    WANG HaiJun; HONG XiaoZhong; GU Fang; BA XinWu

    2007-01-01

    Making use of the invariant property of the equilibrium size distribution of the hydrogen bonding clusters formed in hydrogen bonding system of AaDd type, the analytical expressions of the free energy in pregel and postgel regimes are obtained. Then the gel free energy and the scaling behavior of the number of hydrogen bonds in gel phase near the critical point are investigated to give the corresponding scaling exponents and scaling law. Meanwhile, some properties of intermolecular and intramolecular hydrogen bonds in the system, sol and gel phases are discussed. As a result, the explicit relationship between the number of intramolecular hydrogen bonds and hydrogen bonding degree is obtained.

  2. Electrodeposition of aluminum on aluminum surface from molten salt

    Institute of Scientific and Technical Information of China (English)

    Wenmao HUANG; Xiangyu XIA; Bin LIU; Yu LIU; Haowei WANG; Naiheng MA

    2011-01-01

    The surface morphology,microstructure and composition of the aluminum coating of the electrodeposition plates in AlC13-NaC1-KC1 molten salt with a mass ratio of 8:1:1 were investigated by SEM and EDS.The binding force was measured by splat-cooling method and bending method.The results indicate that the coatings with average thicknesses of 12 and 9 μm for both plates treated by simple grinding and phosphating are compacted,continuous and well adhered respectively. Tetramethylammonium chloride (TMAC) can effectively prevent the growth of dendritic crystal,and the anode activation may improve the adhesion of the coating. Binding force analysis shows that both aluminum coatings are strongly adhered to the substrates.

  3. Cell Structure Evolution of Aluminum Foams Under Reduced Pressure Foaming

    Science.gov (United States)

    Cao, Zhuokun; Yu, Yang; Li, Min; Luo, Hongjie

    2016-09-01

    Ti-H particles are used to increase the gas content in aluminum melts for reduced pressure foaming. This paper reports on the RPF process of AlCa alloy by adding TiH2, but in smaller amounts compared to traditional process. TiH2 is completely decomposed by stirring the melt, following which reduced pressure is applied. TiH2 is not added as the blowing agent; instead, it is added for increasing the H2 concentration in the liquid AlCa melt. It is shown that pressure change induces further release of hydrogen from Ti phase. It is also found that foam collapse is caused by the fast bubble coalescing during pressure reducing procedure, and the instability of liquid film is related to the significant increase in critical thickness of film rupture. A combination of lower amounts of TiH2, coupled with reduced pressure, is another way of increasing hydrogen content in the liquid aluminum. A key benefit of this process is that it provides time to transfer the molten metal to a mold and then apply the reduced pressure to produce net shape foam parts.

  4. Hexane radiation - heterogeneous conversions on the surface of aluminum

    International Nuclear Information System (INIS)

    Full text: In present paper the peculiarities of radiation and radiation-thermal hexane conversion processes on the surface of aluminum have been studied. A spectro-kinetic investigations are carried out using the IR reflection - adsorption spectroscopy method. The formation of molecular hydrogen (H2) and other decomposition products is controlled chromatographically.The thin polished aluminum plates of the mark AD-00 were used as the test material. Spectroscopically pure hexane was used. The samples were irradiated by 60Co γ-rays with a radiation dose 1.03 Gy/s. Analysis of IR reflection-adsorption spectra of adsorbed hexane (C6H14) at temperature range 300-673 K on the surface of aluminum is indicated on formation a H-bonded hydrocarbon complex (ν∼2680 cm-1) with C-H bond loose and proceeding of possibility of dissociative adsorption with formation of the methyl alkyls (ν∼2880, 2920, 2970 cm-1). The probability of last process proceeded on defect centers increases with increasing of the interaction temperature. It was established, that the radiation processes in hetero system Al/ads. C6H14 accelerate the radiolysis of the hexane. Along with molecular H2 also hydrocarbons an C1-C5 also are. This is testified by appearance in IR spectra the bands of pendulum modes of (CH2)n, where with n>6 maxima 770, 790, 825, 900 and 950 cm-1. The rates of surface decomposition processes increase with temperature increasing. Based on the experimental data, a possible mechanisms of the hexane radiation-heterogeneous decomposition on the surface of aluminum are suggested

  5. 若干氢键团簇的纳秒和飞秒激光光电离及从头计算研究%Nanosecond and Femtosecond Laser Photoionization and Ab Initio Calculation Studies of Some Hydrogen Bonded Clusters

    Institute of Scientific and Technical Information of China (English)

    张柏林; 楼南泉; 王秀岩

    2003-01-01

    The multiphoton ionization and dissociation of azabenzenes-solvent clusters were studied using a time-of-flight mass spectrometer, nano- and femtosecond lasers. Due to the fact that the problem was resolved technically, the experiments about multiphoton ionization of pyrimidine-water in gas phase were performed successfully. The multiphoton ionization mass spectroscopy of the clusters was observed for the first time. The experimental results indicate sequences of protonated cluster ions are formed. Based on both ab initio calculations results and dependence of cluster ion intensity on the laser power, the processes of proton transfer and charge transfer within the clusters were presented. During the femtosecond laser photonionization of pyridine clusters, the coexistencephenomena of protonated and unprotonated cluster ions was observed first. The existence of pyridine dimmer ions and relevant calculation results indicate that the C-H…Nbonds can be formed between pyridine molecules, which corrected some reported results and also provided with a good example for the study of weak bond clusters. The multiphoton ionization results of pyrimidine-methanol and pyridazine-methanol clusters are presented for the first time. It is also found that only the protonated cluster ions are produced after clusters' ionization. The stable structures of all clusters were obtained theoretically, and the mechanisms and processes of proton transfer after ionization were elucidated.%利用纳秒和飞秒激光及飞行时间质谱仪对氮化苯-溶剂分子团簇的多光子电离和离解进行了研究.通过解决实验中的技术难题,实现了在气相条件下实验研究嘧啶与水团簇的多光子电离.首次观测到该团簇的多光子电离质谱,发现电离后形成了质子化团簇系列,通过团簇浓度随激光强度的变化以及理论计算,阐明了团簇内质子转移过程,以及电荷分布和质子转移过程随着团簇尺寸的变化;首次观测

  6. Cluster headache

    Science.gov (United States)

    Doctors do not know exactly what causes cluster headaches. They seem to be related to the body's sudden release of histamine (chemical in the body released during an allergic response) or serotonin (chemical made by nerve cells). A problem in a small area at ...

  7. Conjugation in hydrogen-bonded systems

    CERN Document Server

    Novakovskaya, Yulia V

    2012-01-01

    Analysis of the electron density distribution in clusters composed of hydrogen fluoride, water, and ammonia molecules, especially within the hydrogen-bond domains, reveals the existence of both \\sigma- and \\pi-binding between molecules. The \\sigma-kind density distribution determines the mutual orientation of molecules. A \\pi-system may be delocalized conjugated, which provides additional stabilization of molecular clusters. In those clusters where the sequence of hydrogen bonds is not planar, a peculiar kind of \\pi-conjugation exists. HF anion and H5O2 cation are characterized by quasi-triple bonds between the electronegative atoms. The most long-lived species stabilized by delocalized \\pi-binding are rings and open or closed hoops composed of fused rings. It is conjugated \\pi-system that determines cooperativity phenomenon.

  8. The effect of crystal orientation on the aluminum anodes of the aluminum-air batteries in alkaline electrolytes

    Science.gov (United States)

    Fan, Liang; Lu, Huimin; Leng, Jing; Sun, Zegao; Chen, Chunbo

    2015-12-01

    Recently, aluminum-air (Al-air) batteries have received attention from researchers as an exciting option for safe and efficient batteries. The electrochemical performance of Aluminum anode remains an active area of investigation. In this paper, the electrochemical properties of polycrystalline Al, Al (001), (110) and (111) single crystals are investigated using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) in 4 M NaOH and KOH. Hydrogen corrosion rates of the Al anodes are determined by hydrogen collection. Battery performance using the anodes is tested by constant current discharge at 10 mA cm-2. This is the first report showing that the electrochemical properties of Al are closely related to the crystallographic orientation in alkaline electrolytes. The (001) crystallographic plane has good corrosion resistance but (110) is more sensitive. Al (001) single crystals display higher anode efficiency and capacity density. Controlling the crystallographic orientation of the Al anode is another way to improve the performance of Al-air batteries in alkaline electrolytes.

  9. Hydrogen program overview

    Energy Technology Data Exchange (ETDEWEB)

    Gronich, S. [Dept. of Energy, Washington, DC (United States). Office of Utility Technologies

    1997-12-31

    This paper consists of viewgraphs which summarize the following: Hydrogen program structure; Goals for hydrogen production research; Goals for hydrogen storage and utilization research; Technology validation; DOE technology validation activities supporting hydrogen pathways; Near-term opportunities for hydrogen; Market for hydrogen; and List of solicitation awards. It is concluded that a full transition toward a hydrogen economy can begin in the next decade.

  10. Determination of the dominant catalyst derived from the classic [RhCp*Cl₂]₂ precatalyst system: Is it single-metal Rh₁Cp*-based, subnanometer Rh₄ cluster-based, or Rh(0)n nanoparticle-based cyclohexene hydrogenation catalysis at room temperature and mild pressures?

    Energy Technology Data Exchange (ETDEWEB)

    Bayram, Ercan [Colorado State Univ., Fort Collins, CO (United States); Linehan, John C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Fulton, John L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Szymczak, Nathaniel K. [Univ. of Michigan, Ann Arbor, MI (United States); Finke, Richard G. [Colorado State Univ., Fort Collins, CO (United States)

    2015-05-27

    Determining the kinetically dominant catalyst in a given catalytic system is a forefront topic in catalysis. The [RhCp*Cl₂]₂ (Cp* =[η⁵-C₅(CH₃)₅]) system pioneered by Maitlis and co-workers is a classic precatalyst system from which homogeneous mononuclear Rh₁, subnanometer Rh₄ cluster, and heterogeneous polymetallic Rh(0)n nanoparticle have all arisen as viable candidates for the true hydrogenation catalyst, depending on the precise substrate, H₂ pressure, temperature, and catalyst concentration conditions. Addressed herein is the question of whether the prior assignment of homogeneous, mononuclear Rh₁Cp*-based catalysis is correct, or are trace Rh₄ subnanometer clusters or possibly Rh(0)n nanoparticles the dominant, actual cyclohexene hydrogenation catalyst at 22 °C and 2.7 atm initial H₂ pressure? The observation herein of Rh₄ species by in operando-X-ray absorption fine structure (XAFS) spectroscopy, at the only slightly more vigorous conditions of 26 °C and 8.3 atm H₂ pressure, and the confirmation of Rh₄ clusters by ex situ mass spectroscopy raises the question of the dominant, room temperature, and mild pressure cyclohexene hydrogenation catalyst derived from the classic [RhCp*Cl₂]₂ precatalyst pioneered by Maitlis and co-workers. Ten lines of evidence are provided herein to address the nature of the true room temperature and mild pressure cyclohexene hydrogenation catalyst derived from [RhCp*Cl₂]₂. Especially significant among those experiments are quantitative catalyst poisoning experiments, in the present case using 1,10-phenanthroline. Those poisoning studies allow one to distinguish mononuclear Rh₁, subnanometer Rh₄ cluster, and Rh(0)n nanoparticle catalysis hypotheses. The evidence obtained provides a compelling case for a mononuclear, Rh₁Cp*-based cyclohexene hydrogenation catalyst at 22 °C and 2.7 atm H₂ pressure. The resultant methodology, especially the quantitative

  11. Dissociation of water on Ti-decorated fullerene clusters

    Directory of Open Access Journals (Sweden)

    Yongqiang Xue

    2012-03-01

    Full Text Available Spin-polarized density functional theory calculations have been applied to investigate water dissociation catalyzed by Ti adsorbed on icosahedral C20, C60 and C80 fullerene clusters, in order to elucidate the roles that cluster size and Ti-cluster interaction play in the proposed hydrogen generation reaction. We find that two water molecules can be dissociated consecutively by overcoming moderate energy barriers of a few tenths of eV, accompanied by the generation of a H2 molecule for all three clusters. Depending on the cluster size, the fullerene clusters may participate directly in water splitting or indirectly through stereochemical control of the Ti adsorption sites. Our results suggest that fullerene clusters can serve as a flexible platform for rational design of nanostructured catalysts for hydrogen generation.

  12. Amphoteric Aqueous Hafnium Cluster Chemistry.

    Science.gov (United States)

    Goberna-Ferrón, Sara; Park, Deok-Hie; Amador, Jenn M; Keszler, Douglas A; Nyman, May

    2016-05-17

    Selective dissolution of hafnium-peroxo-sulfate films in aqueous tetramethylammonium hydroxide enables extreme UV lithographic patterning of sub-10 nm HfO2 structures. Hafnium speciation under these basic conditions (pH>10), however, is unknown, as studies of hafnium aqueous chemistry have been limited to acid. Here, we report synthesis, crystal growth, and structural characterization of the first polynuclear hydroxo hafnium cluster isolated from base, [TMA]6 [Hf6 (μ-O2 )6 (μ-OH)6 (OH)12 ]⋅38 H2 O. The solution behavior of the cluster, including supramolecular assembly via hydrogen bonding is detailed via small-angle X-ray scattering (SAXS) and electrospray ionization mass spectrometry (ESI-MS). The study opens a new chapter in the aqueous chemistry of hafnium, exemplifying the concept of amphoteric clusters and informing a critical process in single-digit-nm lithography. PMID:27094575

  13. Microbial corrosion of aluminum alloy.

    Science.gov (United States)

    Yang, S S; Chen, C Y; Wei, C B; Lin, Y T

    1996-11-01

    Several microbes were isolated from the contaminated fuel-oil in Taiwan and the microbial corrosion of aluminum alloy A356-T6 was tested by MIL-STD-810E test method. Penicillium sp. AM-F5 and Cladosporium resinac ATCC 22712 had significant adsorption and pitting on the surface of aluminum alloy, Pseudomonas acruginosa AM-B5 had weak adsorption and some precipitation in the bottom, and Candida sp. AM-Y1 had the less adsorption and few cavities formation on the surface. pH of the aqueous phase decreased 0.3 to 0.7 unit for 4 months of incubation. The corrosion of aluminum alloy was very significant in the cultures of Penicillium sp. AM-F2, Penicillium sp. AM-F5 and C. resinac ATCC 22712. The major metabolites in the aqueous phase with the inoculation of C. resinac were citric acid and oxalic acid, while succinic acid and fumaric acid were the minors. PMID:10592801

  14. Regional Innovation Clusters

    Data.gov (United States)

    Small Business Administration — The Regional Innovation Clusters serve a diverse group of sectors and geographies. Three of the initial pilot clusters, termed Advanced Defense Technology clusters,...

  15. Study on Diffusion of Hydrogen in AB5 Non-Stoichiometric Hydrogen Absorbing Alloys

    Institute of Scientific and Technical Information of China (English)

    王志兴; 李新海; 陈启元; 彭文杰; 郭华军

    2003-01-01

    The diffusion coefficient of hydrogen atoms in the studied alloys was electroche mically measured by chronoamperometry when the metallic hydride microelectrodes were completely discharged. It is found that the diffusion coefficient of hydrogen atoms decreases when cobalt is substituted for a minority of nickel. On the contrary, the diffusion coefficient increases with the partial substitution of manganese or aluminum for nickel, which is related to the lattice constant and cell volumes of hydrogen absorbing alloys. The lattice constant c is obviously affected by the substitute elements greatly. The result shows that the expansion of cell volume resulted from the increase of value c causes the increase of diffusion coefficient which is especially obvious when the lattice constant is relatively low. However, this relationship is not clear if the lattice constant increases to some extent. It is suggested that this phenomenon is related to the interaction of hydrogen atoms with metallic atoms.

  16. Effects of internal hydrogen on the vacancy loop formation probability in Al

    International Nuclear Information System (INIS)

    The effect of internal hydrogen on the formation of vacancy dislocation loops from heavy-ion generated displacement cascades in Al has been investigated. Samples of high-purity aluminum and aluminum containing 900 and 1300 appM of hydrogen were irradiated at room temperature with 50 keV Kr+ ions. The ion dose rate was typically 2 x 1010ions cm-2 sec-1 and the ion dose was between 1011 and 1013 ion cm-2. Under these irradiation conditions, dislocation loops were observed in all compositions, although the formation probability was relatively low (less than 10 percent of the displacement cascades produced a vacancy loop). The loop formation probability was further reduced by the presence of hydrogen. No difference in the geometry or the size of the loops created in the hydrogen free and hydrogen charged samples was found. These results are difficult to interpret, and the explanation may lie in the distribution and form of the hydrogen. To account for the large hydrogen concentrations and from calculations of the energy associated with hydrogen entry into aluminum, it has been suggested that the hydrogen enters the aluminum lattice with an accompanying vacancy. This will create hydrogen-vacancy complexes in the material; two dimensional complexes have been detected in the hydrogen-charged, but unirradiated, samples by the small-angle x-ray scattering technique. The possibility of these complexes trapping the vacancies produced by the cascade process exists thus lowering the formation probability. However, such a mechanism must occur within the lifetime of the cascade. Alternatively, if a displacement cascade overlaps with the hydrogen-vacancy complexes, the lower atomic density of the region will result in an increase in the cascade volume (decrease in the local vacancy concentration) which will also reduce the loop formation probability

  17. Hydrogen technologies

    International Nuclear Information System (INIS)

    To the non-nonsense engineer, any talk of a hydrogen economy may seem like so much hot air. This paper reports that as legislative, safety and environmental issues continue to tighten, they're promoting hydrogen's chances as an energy source and, more immediately, its prospects as a chemical feedstock. Paradoxically, the environmental demands that are stimulating hydrogen demand are also inhibiting the gas's production. Previously, gasoline was made with benzene, which means that H2 was rejected. But now that the laws mandate lower aromatic and higher oxygenate levels in gasolines, there's less H2 available as byproduct. At the same time, H2 demand is rising in hydrodesulfurization units, since the same laws require refiners to cut sulfur levels in fuels. Supplementary sources for the gas are also shrinking. In the chlor-alkali industry, H2 output is dropping, as demand for its coproduct chlorine weakens. At the same time, H2 demand for the making of hydrogen peroxide is growing, as that environmentally safer bleach gains chlorine's market share

  18. Double-layer Modiifcation of Water-based Aluminum with SiO2 and Polyacrylic Acid by Sol-gel Process and in situPolymerization

    Institute of Scientific and Technical Information of China (English)

    HE Yuhang; LI Houbin

    2016-01-01

    A double-layer aluminum consisting of an aluminum core and a shell of SiO2 and polyacrylic acid was synthesized. This modiifed aluminum was used to improve the corrosion resistance and dispersive property of aluminum in waterborne media. TEM, FTIR, XPS, and EDX determination showed that PAA and SiO2 were coated on the surface of aluminum. Evolved hydrogen detection showed that the corrosion resistance of composite particle had been markedly improved. Maximum corrosion inhibition efifciency of SiO2 coated aluminum (SiO2@Al) was 95.1% while that of double-layer coated aluminum (PAA/SiO2@Al) was 98.8%. Meanwhile, polyacrylic acid layer improved the agglomeration of aluminum significantly. According to the dispersibility test, the particle size of 50% volume fraction [d(0.5)] of aluminum, SiO2@Al and PAA/SiO2@Al were 42, 53, and 34 μm, respectively.

  19. Cluster forcing

    DEFF Research Database (Denmark)

    Christensen, Thomas Budde

    The cluster theory attributed to Michael Porter has significantly influenced industrial policies in countries across Europe and North America since the beginning of the 1990s. Institutions such as the EU, OECD and the World Bank and governments in countries such as the UK, France, The Netherlands......, Portugal and New Zealand have adopted the concept. Public sector interventions that aim to support cluster development in industries most often focus upon economic policy goals such as enhanced employment and improved productivity, but rarely emphasise broader societal policy goals relating to e...... a difference in terms of enhancing regional development but the paper also concludes that the interventions tend to follow the development path of the established industry and thus tend to neglect long term sustainable development issues while failing to escape the traditional confines of regional industrial...

  20. Metallic Hydrogen

    Science.gov (United States)

    Silvera, Isaac; Zaghoo, Mohamed; Salamat, Ashkan

    2015-03-01

    Hydrogen is the simplest and most abundant element in the Universe. At high pressure it is predicted to transform to a metal with remarkable properties: room temperature superconductivity, a metastable metal at ambient conditions, and a revolutionary rocket propellant. Both theory and experiment have been challenged for almost 80 years to determine its condensed matter phase diagram, in particular the insulator-metal transition. Hydrogen is predicted to dissociate to a liquid atomic metal at multi-megabar pressures and T =0 K, or at megabar pressures and very high temperatures. Thus, its predicted phase diagram has a broad field of liquid metallic hydrogen at high pressure, with temperatures ranging from thousands of degrees to zero Kelvin. In a bench top experiment using static compression in a diamond anvil cell and pulsed laser heating, we have conducted measurements on dense hydrogen in the region of 1.1-1.7 Mbar and up to 2200 K. We observe a first-order phase transition in the liquid phase, as well as sharp changes in optical transmission and reflectivity when this phase is entered. The optical signature is that of a metal. The mapping of the phase line of this transition is in excellent agreement with recent theoretical predictions for the long-sought plasma phase transition to metallic hydrogen. Research supported by the NSF, Grant DMR-1308641, the DOE Stockpile Stewardship Academic Alliance Program, Grant DE-FG52-10NA29656, and NASA Earth and Space Science Fellowship Program, Award NNX14AP17H.

  1. Microstructure and tensile properties of bulk nanostructured aluminum/graphene composites prepared via cryomilling

    International Nuclear Information System (INIS)

    In order to develop high strength metal–matrix composites with acceptable ductility, bulk nanostructured aluminum–matrix composites reinforced with graphene nanoflakes were fabricated by cryomilling and hot extrusion processes. Microstructure and mechanical properties were characterized and determined using transmission electron microscopy, electron dispersion spectroscopy, as well as static tensile tests. The results show that, with an addition of only 0.5 wt% graphene nanoflakes, the bulk nanostructured aluminum/graphene composite exhibited increased strength and unsubdued ductility over pure aluminum. Besides, the mechanical properties of the composites with higher content of graphene nanoflakes were also measured and investigated. Above 1.0 wt% of graphene nanoflakes, however, this strengthening effect sharply dropped due to the clustering of graphene nanoflakes. Furthermore, the optimal addition of graphene nanoflakes into the nanocrystalline aluminum matrix was calculated and discussed

  2. Effect of tunnel structure on the specific capacitance of etched aluminum foil

    Institute of Scientific and Technical Information of China (English)

    Ning Peng; Li-Bo Liang; Ye-Dong He; Hong-Zhou Song; Xiao-Fei Yang; Xiao-Yu Cai

    2014-01-01

    The morphology of etched aluminum foil was observed using scanning electron microscopy, which led to the establishment of a cylindrical model and two merged models, considering the fixed weight loss of etching. The maximum of specific capacitance and the cor-responding optimum values for tunnel sizes at various anodization voltages were predicted. The increased size distribution and taper of tun-nels were demonstrated to decrease the specific capacitance, whereas the addition of polymeric additive into the tunnel widening solution was demonstrated to increase the capacitance. The formation of merged tunnels on the etched aluminum surface, irrespective of the presence of row-merged tunnels or cluster-merged tunnels, resulted in a dramatic decrease in the specific capacitance. It is concluded that, enhancing the uniformity of tunnel size and distribution and avoiding the formation of merged tunnels are the effective approach to achieving the higher capacitance for the tunnel etched and formed aluminum foil.

  3. Ab initio Calculations of Optical Properties of Clusters

    CERN Document Server

    Shinde, Ravindra

    2016-01-01

    We have performed systematic large-scale all-electron correlated calculations on boron Bn, aluminum Aln and magnesium Mgn clusters (n=2--5), to study their linear optical absorption spectra. Several possible isomers of each cluster were considered, and their geometries were optimized at the coupled-cluster singles doubles (CCSD) level of theory. Using the optimized ground-state geometries, excited states of different clusters were computed using the multi-reference singles-doubles configuration interaction (MRSDCI) approach, which includes electron correlation effects at a sophisticated level. These CI wavefunctions were used to compute the transition dipole matrix elements connecting the ground and various excited states of different clusters, eventually leading to their linear absorption spectra. The convergence of our results with respect to the basis sets, and the size of the CI expansion was carefully examined. Isomers of a given cluster show a distinct signature spectrum, indicating a strong structure p...

  4. Clustering experiments

    CERN Document Server

    Wang, Zhengwei; Tan, Ken; Di, Zengru; Roehner, Bertrand M

    2011-01-01

    It is well known that bees cluster together in cold weather, in the process of swarming (when the ``old'' queen leaves with part of the colony) or absconding (when the queen leaves with all the colony) and in defense against intruders such as wasps or hornets. In this paper we describe a fairly different clustering process which occurs at any temperature and independently of any special stimulus or circumstance. As a matter of fact, this process is about four times faster at 28 degree Celsius than at 15 degrees. Because of its simplicity and low level of ``noise'' we think that this phenomenon can provide a means for exploring the strength of inter-individual attraction between bees or other living organisms. For instance, and at first sight fairly surprisingly, our observations showed that this attraction does also exist between bees belonging to different colonies. As this study is aimed at providing a comparative perspective, we also describe a similar clustering experiment for red fire ants.

  5. Electronic structures and thermodynamic stabilities of aluminum-based deuterides from first principles calculations

    Institute of Scientific and Technical Information of China (English)

    Ye Xiao-Qiu; Luo De-Li; Sang Ge; Ao Bing-Yun

    2011-01-01

    The alanates (complex aluminohydrides) have relatively high gravimetric hydrogen densities and are among the most promising solid-state hydrogen-storage materials. In this work, the electronic structures and the formation enthalpies of seven typical aluminum-based deuterides have been calculated by the plane-wave pseudopotential method,these being AID3, LiAID4, Li3AID6, BaAID5, Ba2AID7, LiMg(AID4)3 and LiMgAID6. The results show that all these compounds are large band gap insulators at 0 K with estimated band gaps from 2.31 eV in AID3 to 4.96 eV in LiMg(AID4)3. The band gaps are reduced when the coordination of Al varies from 4 to 6. Two peaks present in the valence bands are the common characteristics of aluminum-based deuterides containing AID4 subunits while three peaks are the common characteristics of those containing AID6 subunits. The electronic structures of these compounds are determined mainly by aluminum deuteride complexes (AID4 or AID6) and their mutual interactions. The predicted formation enthalpies are presented for the studied aluminum-based deuterides.

  6. Determination of the Hydrogenation Degree of Telechelic Polybutadiene by {sup 1}H NMR

    Energy Technology Data Exchange (ETDEWEB)

    Lira, C.H.; Nicolini, L.F.; Dolinsky, M.C.B. [Petroflex Industria e Comercio S.A., Duque de Caxias, RJ (Brazil)]. E-mail: clira@petroflex.com.br; Oliveira, C.M.F.; Gomes, A.S. [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Inst. de Macromoleculas Professora Eloisa Mano

    2006-07-01

    The liquid hydroxyl terminated polybutadiene (HTPB) was hydrogenated to improve its thermal and oxidative resistance. Hydrogenation was carried out using cyclohexane as solvent and a soluble catalyst system consisting of diisobutyl aluminum hydride (DIBAL-H) and Co{sup III} acetylacetonate, at a molar ratio of 6:1. Hydrogenation was only possible after esterification of hydroxyl groups due to interactions with the catalyst system. {sup 1}H NMR technique was used to confirm the esterification and hydrogenation of the polymeric material. This method can be also used to determine the degree of hydrogenation in different reaction times. (author)

  7. Aluminum exclusion and aluminum tolerance in woody plants

    OpenAIRE

    Brunner, Ivano; Sperisen, Christoph

    2013-01-01

    The aluminum (Al) cation Al3 + is highly rhizotoxic and is a major stress factor to plants on acid soils, which cover large areas of tropical and boreal regions. Many woody plant species are native to acid soils and are well adapted to high Al3 + conditions. In tropical regions, both woody Al accumulator and non-Al accumulator plants occur, whereas in boreal regions woody plants are non-Al accumulators. The mechanisms of these adaptations can be divided into those that facilitate the exclusio...

  8. Aluminum-stabilized NB3SN superconductor

    Science.gov (United States)

    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.

  9. Investigations of Aluminum-Doped Self-Healing Zircaloy Surfaces in Context of Accident-Tolerant Fuel Cladding Research

    Science.gov (United States)

    Carr, James; Vasudevamurthy, Gokul; Snead, Lance; Hinderliter, Brian; Massey, Caleb

    2016-06-01

    We present here some important results investigating aluminum as an effective surface dopant for increased oxidation resistance of zircaloy nuclear fuel cladding. At first, the transport behavior of aluminum into reactor grade zircaloy was studied using simple diffusion couples at temperatures greater than 770 K. The experiments revealed the formation of tens of microns thick graded Zr-Al layers. The activation energy of aluminum in zircaloy was found to be ~175 kJ/mol (~1.8 eV), indicating the high mobility of aluminum in zircaloy. Subsequently, aluminum sputter-coated zircaloy coupons were heat-treated to achieve surface doping and form compositionally graded layers. These coupons were then tested in steam environments at 1073 and 1273 K. The microstructure of the as-fabricated and steam-corroded specimens was compared to those of pure zircaloy control specimens. Analysis of data revealed that aluminum effectively competed with zircaloy for oxygen up until 1073 K blocking oxygen penetration, with no traces of large scale spalling, indicating mechanically stable interfaces and surfaces. At the highest steam test temperatures, aluminum was observed to segregate from the Zr-Al alloy under layers and migrate to the surface forming discrete clusters. Although this is perceived as an extremely desirable phenomenon, in the current experiments, oxygen was observed to penetrate into the zirconium-rich under layers, which could be attributed to formation of surface defects such as cracks in the surface alumina layers.

  10. 40 CFR 180.1091 - Aluminum isopropoxide and aluminum secondary butoxide; exemption from the requirement of a...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Aluminum isopropoxide and aluminum... PESTICIDE CHEMICAL RESIDUES IN FOOD Exemptions From Tolerances § 180.1091 Aluminum isopropoxide and aluminum secondary butoxide; exemption from the requirement of a tolerance. Aluminum isopropoxide (CAS Reg. No....

  11. The Aluminum Deep Processing Project of North United Aluminum Landed in Qijiang

    Institute of Scientific and Technical Information of China (English)

    2014-01-01

    <正>On April 10,North United Aluminum Company respectively signed investment cooperation agreements with Qijiang Industrial Park and Qineng Electricity&Aluminum Co.,Ltd,signifying the landing of North United Aluminum’s aluminum deep processing project in Qijiang.

  12. [The corrosion resistance of aluminum and aluminum-based alloys studied in artificial model media].

    Science.gov (United States)

    Zhakhangirov, A Zh; Doĭnikov, A I; Aboev, V G; Iankovskaia, T A; Karamnova, V S; Sharipov, S M

    1991-01-01

    Samples of aluminum and its alloys, designed for orthodontic employment, were exposed to 4 media simulating the properties of biologic media. The corrosion resistance of the tested alloys was assessed from the degree of aluminum migration to simulation media solutions, which was measured by the neutron activation technique. Aluminum alloy with magnesium and titanium has shown the best corrosion resistance. PMID:1799002

  13. Experimental studies of thermal and chemical interactions between molten aluminum and water

    Energy Technology Data Exchange (ETDEWEB)

    Farahani, A.A.; Corradini, M.L. [Univ. of Wisconsin, Madison, WI (United States)

    1995-09-01

    The possibility of rapid physical and chemical aluminum/water interactions during a core melt accident in a noncommercial reactor (e.g., HFIR, ATR) has resulted in extensive research to determine the mechanism by which these interactions occur and propagate on an explosive time scale. These events have been reported in nuclear testing facilities, i.e., during SPERT 1D experiment, and also in aluminum casting industries. Although rapid chemical reactions between molten aluminum and water have been subject of many studies, very few reliable measurements of the extent of the chemical reactions have thus far been made. We have modified an existing 1-D shock tube facility to perform experiments in order to determine the extent of the explosive thermal/chemical interactions between molton aluminum and water by measuring important physical quantities such as the maximum dynamic pressure and the amount of the generated hydrogen. Experimental results show that transient pressures greater than 69 MPa with a rise time of less than 125 {mu}sec can occur as the result of the chemical reaction of 4.2 grams of molton aluminum (approximately 15% of the total mass of the fuel of 28 grams) at 980 C with room temperature water.

  14. Development Of A Novel Discontinuously-Reinforced Aluminum For Space Applications

    Science.gov (United States)

    Pandey, A. B.; Shah, S.; Shadoan, M.

    2002-01-01

    Discontinuously-reinforced aluminum (DRA) has been used in aerospace structures such as Ventral Fins and Fan Exit Guide Vanes owing to its superior specific stiffness, specific strength, wear resistance, and thermal resistance as compared to the unreinforced aluminum alloys. In order to reduce engine weight, DRA materials are now being considered for space applications. Higher specific strength at ambient and cryogenic temperatures is one of the main requirements in certain rocket applications. The commercial DRA materials use 6xxx and 2xxx precipitation hardened aluminum alloys as matrices which have limited strengths. Therefore, an aluminum alloy which can provide significantly higher ambient and cryogenic strengths is required. In this paper, a novel aluminum alloy based on Al-Sc-X composition with improved ambient and cryogenic temperature strengthening capability is proposed. In addition, this alloy showed promise for improved strength at elevated temperature. The monolithic alloy and the composite with 15 volume percent SiC and B4C particles were processed using a powder metallurgy approach. The influence of processing parameters on the microstructures and mechanical properties of the monolithic and composite materials is discussed. The alloy showed very high strength and moderate ductility. The influence of hydrogen on the properties of monolithic and composite materials is discussed. The thermal stability of these materials is also evaluated. The strength of the material is discussed in terms of solid solution strengthening, Orowan strengthening, and antiphase boundary strengthening models.

  15. Hydrogen Peroxide Storage in Small Sealed Tanks

    Energy Technology Data Exchange (ETDEWEB)

    Whitehead, J.

    1999-10-20

    Unstabilized hydrogen peroxide of 85% concentration has been prepared in laboratory quantities for testing material compatibility and long term storage on a small scale. Vessels made of candidate tank and liner materials ranged in volume from 1 cc to 2540 cc. Numerous metals and plastics were tried at the smallest scales, while promising ones were used to fabricate larger vessels and liners. An aluminum alloy (6061-T6) performed poorly, including increasing homogeneous decay due to alloying elements entering solution. The decay rate in this high strength aluminum was greatly reduced by anodizing. Better results were obtained with polymers, particularly polyvinylidene fluoride. Data reported herein include ullage pressures as a function of time with changing decay rates, and contamination analysis results.

  16. Globular Cluster Formation in the Virgo Cluster

    CERN Document Server

    Moran, C Corbett; Lake, G

    2014-01-01

    Metal poor globular clusters (MPGCs) are a unique probe of the early universe, in particular the reionization era. Systems of globular clusters in galaxy clusters are particularly interesting as it is in the progenitors of galaxy clusters that the earliest reionizing sources first formed. Although the exact physical origin of globular clusters is still debated, it is generally admitted that globular clusters form in early, rare dark matter peaks (Moore et al. 2006; Boley et al. 2009). We provide a fully numerical analysis of the Virgo cluster globular cluster system by identifying the present day globular cluster system with exactly such early, rare dark matter peaks. A popular hypothesis is that that the observed truncation of blue metal poor globular cluster formation is due to reionization (Spitler et al. 2012; Boley et al. 2009; Brodie & Strader 2006); adopting this view, constraining the formation epoch of MPGCs provides a complementary constraint on the epoch of reionization. By analyzing both the l...

  17. First principles investigation of cluster consisting of hydrogen–helium atoms interstitially-trapped in tungsten

    International Nuclear Information System (INIS)

    We evaluate the binding energies of mixed helium and hydrogen clusters consisted of interstitially trapped atoms in bcc tungsten by first-principles calculations based on density functional theories. It is shown that helium-rich interstitially-trapped clusters have the positive binding energies and the low electron-density region expand as the number of helium in the cluster increase. Thus, the helium-rich interstitially trapped clusters can act as a trapping site for hydrogen, and interstitially trapped helium interrupts or disturbs the hydrogen diffusion in tungsten

  18. Multiphoton ionization of large water clusters.

    Science.gov (United States)

    Apicella, B; Li, X; Passaro, M; Spinelli, N; Wang, X

    2014-05-28

    Water clusters are multimers of water molecules held together by hydrogen bonds. In the present work, multiphoton ionization in the UV range coupled with time of flight mass spectrometry has been applied to water clusters with up to 160 molecules in order to obtain information on the electronic states of clusters of different sizes up to dimensions that can approximate the bulk phase. The dependence of ion intensities of water clusters and their metastable fragments produced by laser ionization at 355 nm on laser power density indicates a (3+1)-photon resonance-enhanced multiphoton ionization process. It also explains the large increase of ionization efficiency at 355 nm compared to that at 266 nm. Indeed, it was found, by applying both nanosecond and picosecond laser ionization with the two different UV wavelengths, that no water cluster sequences after n = 9 could be observed at 266 nm, whereas water clusters up to m/z 2000 Th in reflectron mode and m/z 3000 Th in linear mode were detected at 355 nm. The agreement between our findings on clusters of water, especially true in the range with n > 10, and reported data for liquid water supports the hypothesis that clusters above a critical dimension can approximate the liquid phase. It should thus be possible to study clusters just above 10 water molecules, for getting information on the bulk phase structure.

  19. Multiphoton ionization of large water clusters

    International Nuclear Information System (INIS)

    Water clusters are multimers of water molecules held together by hydrogen bonds. In the present work, multiphoton ionization in the UV range coupled with time of flight mass spectrometry has been applied to water clusters with up to 160 molecules in order to obtain information on the electronic states of clusters of different sizes up to dimensions that can approximate the bulk phase. The dependence of ion intensities of water clusters and their metastable fragments produced by laser ionization at 355 nm on laser power density indicates a (3+1)-photon resonance-enhanced multiphoton ionization process. It also explains the large increase of ionization efficiency at 355 nm compared to that at 266 nm. Indeed, it was found, by applying both nanosecond and picosecond laser ionization with the two different UV wavelengths, that no water cluster sequences after n = 9 could be observed at 266 nm, whereas water clusters up to m/z 2000 Th in reflectron mode and m/z 3000 Th in linear mode were detected at 355 nm. The agreement between our findings on clusters of water, especially true in the range with n > 10, and reported data for liquid water supports the hypothesis that clusters above a critical dimension can approximate the liquid phase. It should thus be possible to study clusters just above 10 water molecules, for getting information on the bulk phase structure

  20. Laboratory Powder Metallurgy Makes Tough Aluminum Sheet

    Science.gov (United States)

    Royster, D. M.; Thomas, J. R.; Singleton, O. R.

    1993-01-01

    Aluminum alloy sheet exhibits high tensile and Kahn tear strengths. Rapid solidification of aluminum alloys in powder form and subsequent consolidation and fabrication processes used to tailor parts made of these alloys to satisfy such specific aerospace design requirements as high strength and toughness.

  1. Sanmenxia strives to create aluminum industrial base

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    <正>Contradiction between rich alumina resource and relatively weak electrolytic aluminum production capacity is the "bottleneck" inhibiting development of aluminum industry in San-menxia. During the period of "11th Five-Year Development", Sanmenxia will relay on its

  2. Wilson's disease; increased aluminum in liver.

    Science.gov (United States)

    Yasui, M; Yoshimasu, F; Yase, Y; Uebayashi, Y

    1979-01-01

    Interaction of trace metal metabolism was studied in a patient with Wilson's dease. Atomic absorption analysis showed markedly increased urinary excretion of copper and aluminum and an increased aluminum content was found in the biopsied liver by neutron activation analysis. These findings suggest a complicated pathogenetic mechanism involving other metals besides copper in the Wilson's disease.

  3. Aluminum honeycomb impact limiter study

    Energy Technology Data Exchange (ETDEWEB)

    Yaksh, M.C.; Thompson, T.C. (Nuclear Assurance Corp., Norcross, GA (United States)); Nickell, R.E. (Applied Science and Technology, Inc., Poway, CA (United States))

    1991-07-01

    Design requirements for a cask transporting radioactive materials must include the condition of the 30-foot free fall of the cask onto an unyielding surface. To reduce the deceleration loads to a tolerable level for all the components of the cask, a component (impact limiter) is designed to absorb the kinetic energy. The material, shape, and method of attachment of the impact limiter to the cask body comprises the design of the impact limiter. The impact limiter material of interest is honeycomb aluminum, and the particular design examined was for the NAC Legal Weight Truck cask (NAC-LWT) for spent fuel from light water reactors. The NAC-LWT has a design weight of 52,000 pounds, and it has a nominal length of 200 inches. The report describes the numerical calculations embodied in the FADE program to determine the accelerations and crush strain resulting from an arbitrary height and angle of orientation. Since the program serves as a design tool, static tests are performed to assess the effect of the shell containing the honeycomb aluminum. The static tests and their results are contained in the study. The static tests are used to demonstrate for licensing purposes the level of accelerations imposed on the cask during a 30-foot drop. 3 refs., 41 figs., 15 tabs.

  4. Aluminum corrosion product release kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Edwards, Matt, E-mail: Matthew.Edwards@cnl.ca; Semmler, Jaleh; Guzonas, Dave; Chen, Hui Qun; Toor, Arshad; Hoendermis, Seanna

    2015-07-15

    Highlights: • Release of Al corrosion product was measured in simulated post-LOCA sump solutions. • Increased boron was found to enhance Al release kinetics at similar pH. • Models of Al release as functions of time, temperature, and pH were developed. - Abstract: The kinetics of aluminum corrosion product release was examined in solutions representative of post-LOCA sump water for both pressurized water and pressurized heavy-water reactors. Coupons of AA 6061 T6 were exposed to solutions in the pH 7–11 range at 40, 60, 90 and 130 °C. Solution samples were analyzed by inductively coupled plasma atomic emission spectroscopy, and coupon samples were analyzed by secondary ion mass spectrometry. The results show a distinct “boron effect” on the release kinetics, expected to be caused by an increase in the solubility of the aluminum corrosion products. New models were developed to describe both sets of data as functions of temperature, time, and pH (where applicable)

  5. Recrystallization in Commercially Pure Aluminum

    DEFF Research Database (Denmark)

    Bay, Bent; Hansen, Niels

    1984-01-01

    Recrystallization behavior in commercial aluminum with a purity of 99.4 pct was studied by techniques such as high voltage electron microscopy, 100 kV transmission electron microscopy, and light microscopy. Sample parameters were the initial grain size (290 and 24 microns) and the degree of defor......Recrystallization behavior in commercial aluminum with a purity of 99.4 pct was studied by techniques such as high voltage electron microscopy, 100 kV transmission electron microscopy, and light microscopy. Sample parameters were the initial grain size (290 and 24 microns) and the degree...... (FeAl3), which start to become operative when the degree of deformation is raised from 15 to 30 pct. The temperature of nucleation and of recrystallization decreases when the degree of deformation is increased and the initial grain size is decreased. The recrystallized grain size follows the same...... trend and it is observed that the refinement of the recrystallized grain size caused by an increasing degree of deformation and decreasing initial grain size is enhanced by the FeAl3 particles (when the degree of deformation is raised from 15 to 30 pct). Finally, the structural and kinetic observations...

  6. A Statistical Theory for Hydrogen Bonding Networks: One Component Case

    Institute of Scientific and Technical Information of China (English)

    WANG Hai-Jun; BA Xin-Wu; ZHAO Min; LI Ze-Sheng

    2000-01-01

    The theory of reversible gelation is shown to be applicable to the hydrogen bonding system by analyzing their similarities in statistical viewpoint. The size distribution of hydrogen bonding clusters, the gelation condition and the generalized scaling law can be obtained directly. These results show that such a system can undergo phase transition process. Furthermore, a relationship between Gibbs free energy of forming hydrogen bond and conversions of groups is given. As an example, the chemical shift of OH groups is considered.

  7. Aluminum-based metal-air batteries

    Energy Technology Data Exchange (ETDEWEB)

    Friesen, Cody A.; Martinez, Jose Antonio Bautista

    2016-01-12

    Provided in one embodiment is an electrochemical cell, comprising: (i) a plurality of electrodes, comprising a fuel electrode that comprises aluminum and an air electrode that absorbs gaseous oxygen, the electrodes being operable in a discharge mode wherein the aluminum is oxidized at the fuel electrode and oxygen is reduced at the air electrode, and (ii) an ionically conductive medium, comprising an organic solvent; wherein during non-use of the cell, the organic solvent promotes formation of a protective interface between the aluminum of the fuel electrode and the ionically conductive medium, and wherein at an onset of the discharge mode, at least some of the protective interface is removed from the aluminum to thereafter permit oxidation of the aluminum during the discharge mode.

  8. Gating of Permanent Molds for ALuminum Casting

    Energy Technology Data Exchange (ETDEWEB)

    David Schwam; John F. Wallace; Tom Engle; Qingming Chang

    2004-03-30

    This report summarizes a two-year project, DE-FC07-01ID13983 that concerns the gating of aluminum castings in permanent molds. The main goal of the project is to improve the quality of aluminum castings produced in permanent molds. The approach taken was determine how the vertical type gating systems used for permanent mold castings can be designed to fill the mold cavity with a minimum of damage to the quality of the resulting casting. It is evident that somewhat different systems are preferred for different shapes and sizes of aluminum castings. The main problems caused by improper gating are entrained aluminum oxide films and entrapped gas. The project highlights the characteristic features of gating systems used in permanent mold aluminum foundries and recommends gating procedures designed to avoid common defects. The study also provides direct evidence on the filling pattern and heat flow behavior in permanent mold castings.

  9. Trends in the global aluminum fabrication industry

    Science.gov (United States)

    Das, Subodh; Yin, Weimin

    2007-02-01

    The aluminum fabrication industry has become more vital to the global economy as international aluminum consumption has grown steadily in the past decades. Using innovation, value, and sustainability, the aluminum industry is strengthening its position not only in traditional packaging and construction applications but also in the automotive and aerospace markets to become more competitive and to face challenges from other industries and higher industrial standards. The aluminum fabrication industry has experienced a significant geographical shift caused by rapid growth in emerging markets in countries such as Brazil, Russia, India, and China. Market growth and distribution will vary with different patterns of geography and social development; the aluminum industry must be part of the transformation and keep pace with market developments to benefit.

  10. Gelling nature of aluminum soaps in oils.

    Science.gov (United States)

    Wang, Xiaorong; Rackaitis, Mindaugas

    2009-03-15

    Aluminum soaps are notable for their ability to form soap-hydrocarbon gels of high viscosity. For more than half a century, it has been believed that the gelling mechanism is due to a formation of polymeric chains of aluminum molecules with the aluminum atoms linking along the axis and with the fatty acid chain extended sideways. Here we report results from an investigation using high-resolution electron microscopy and rheology measurements that clearly resolve the ambiguity. Our results reveal that the gelling mechanism stems from the formation of spherical nano-sized micelles from aluminum soap molecules, and those colloidal micelle particles then aggregate into networks of highly fractal and jammed structures. The earlier proposed polymer chain-like structure is definitely incorrect. The discovery of aluminum soap particles could expand application of these materials to new technologies.

  11. Proposal of recycling system for waste aluminum

    Directory of Open Access Journals (Sweden)

    Š. Valenčík

    2008-04-01

    Full Text Available Introduced work is focused on waste aluminum recycling process with objective to propose complex production system for recovering of aluminum and some aluminum alloys. Solution is supported by extended analysis concerning purpose, basis and system sequences for recyclation. Based on that, sources, possibilities and conditions for recycling are formed. This has been used in proposal of manufacturing system. The principle is the structural proposal of manufacturing system, which does not only differentiate the stage of aluminum melting process, but also related stages as gross separation, sizing, containerisation and batching, palletisation, stacking and some related operations. Production system respects technological specifications, requirements for rationalisation of manufacturing systems, technical and economical feasibility conditions and is considered in lower automation level. However production system solves complex problem of recycling of some types of aluminum, it improves flexibility, production, quality (melting by high enforcements and in protective atmosphere and extention of production (final products production.

  12. Aluminum phosphate shows more adjuvanticity than Aluminum hydroxide in recombinant hepatitis –B vaccine formulation

    Directory of Open Access Journals (Sweden)

    2008-08-01

    Full Text Available Background: Although a number of investigation have been carried out to find alternative adjuvants to aluminum salts in vaccine formulations, they are still extensively used due to their good track record of safety, low cost and proper adjuvanticity with a variety of antigens. Adsorption of antigens onto aluminum compounds depends heavily on electrostatic forces between adjuvant and antigen. Commercial recombinant protein hepatitis B vaccines containing aluminum hydroxide as adjuvant is facing low induction of immunity in some sections of the vaccinated population. To follow the current global efforts in finding more potent hepatitis B vaccine formulation, adjuvanticity of aluminum phosphate has been compared to aluminum hydroxide. Materials and methods: The adjuvant properties of aluminum hydroxide and aluminum phosphate in a vaccine formulation containing a locally manufactured hepatitis B (HBs surface antigen was evaluated in Balb/C mice. The formulations were administered intra peritoneally (i.p. and the titers of antibody which was induced after 28 days were determined using ELISA technique. The geometric mean of antibody titer (GMT, seroconversion and seroprotection rates, ED50 and relative potency of different formulations were determined. Results: All the adjuvanicity markers obtained in aluminum phosphate formulation were significantly higher than aluminum hydroxide. The geometric mean of antibody titer of aluminum phosphate was approximately three folds more than aluminum hydroxide. Conclusion: Aluminum phosphate showed more adjuvanticity than aluminum hydroxide in hepatitis B vaccine. Therefore the use of aluminum phosphate as adjuvant in this vaccine may lead to higher immunity with longer duration of effects in vaccinated groups.

  13. The hydrogen; L'hydrogene

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-07-01

    The hydrogen as an energy system represents nowadays a main challenge (in a scientific, economical and environmental point of view). The physical and chemical characteristics of hydrogen are at first given. Then, the challenges of an hydrogen economy are explained. The different possibilities of hydrogen production are described as well as the distribution systems and the different possibilities of hydrogen storage. Several fuel cells are at last presented: PEMFC, DMFC and SOFC. (O.M.)

  14. Proton transfer in gas-phase ammonium dinitramide clusters

    Science.gov (United States)

    Alavi, Saman; Thompson, Donald L.

    2003-02-01

    Proton transfer in gaseous ammonium dinitramide (ADN) clusters up to (ADN)2 is studied by using density-functional theory. Proton transfer between the hydrogen dinitramide and ammonia units does not occur in the ADN monomer, rather the ammonia-hydrogen dinitramide complex is stabilized by strong hydrogen bonding. However, proton transfer between hydrogen dinitramide and ammonia is observed in the ADN dimer [NH3HN(NO2)2]2, ADN solvated with a single ammonia molecule [NH3NH(NO2)2]NH3, and ADN solvated with a hydrogen dinitramide molecule [NH3HN(NO2)2]HN(NO2)2. Structural changes in the complexes relative to the free molecules and the binding energies of the clusters are given. Using population analysis, the total electrostatic interaction energy in each cluster is calculated. The electrostatic energy is a measure that distinguishes between the ionic or hydrogen-bonded nature of the clusters. Some implications of proton transfer in ADN clusters on the decomposition mechanism of ADN are discussed.

  15. Laser Assisted Joining of Hybrid Polyamide-aluminum Structures

    Science.gov (United States)

    Lamberti, Christian; Solchenbach, Tobias; Plapper, Peter; Possart, Wulff

    The demand for hybrid polymer-metal structures is continuously growing due to their great potential in automotive, aerospace and packaging applications. The expected capabilities are highly diverse and include functional, chemical and mechanical as well as economical and ecological aspects. A novel laser beam joining process for hybrid polyamide-aluminum structures is reported. The spatial and temporal heat input is optimized for optimal bonding quality. At the interface it was proven that the polyamide was not decomposed as a result of excessive thermal stress. It was shown that laser or electro-chemical surface pre-treatment of the aluminum substrate has a distinctive effect on the shear strength of the joint. However, the bond quality does not correspond to a change of surface roughness. Therefore, mechanical interlocking in direct relation to surface topology of the pre-treated substrate is not the principal cause for the bonding phenomenon. Chemical analysis in terms of IR-spectroscopy has shown a physicochemical interaction based on hydrogen bonds.

  16. Optimization of the HIRFL-CSR cluster target

    International Nuclear Information System (INIS)

    A new gas delivery system is designed and installed for HIRFL-CSR cluster target. The original blocked nozzle is replaced by a new one with the throat diameter of 0.12mm. New test of hydrogen and argon gases are performed. The stable jets can be obtained for these two operation gases. The attenuation of the jet caused by the collision with residual gas is studied. The maximum achievable H2 target density is 1.75 x 1013 atoms/cm3 with a target thickness of 6.3 x 1012 atoms/cm2 for HIRFL-CSR cluster target. The running stability of the cluster source is tested both for hydrogen and argon. The operation parameters for obtaining hydrogen jet are optimized. The results of long time running for H2 and Ar cluster jets look promising. The jet intensity has no essential change during the test for H2 and Ar. (authors)

  17. Oxidation dynamics of aluminum nanorods

    International Nuclear Information System (INIS)

    Aluminum nanorods (Al-NRs) are promising fuels for pyrotechnics due to the high contact areas with oxidizers, but their oxidation mechanisms are largely unknown. Here, reactive molecular dynamics simulations are performed to study thermally initiated burning of oxide-coated Al-NRs with different diameters (D = 26, 36, and 46 nm) in oxygen environment. We found that thinner Al-NRs burn faster due to the larger surface-to-volume ratio. The reaction initiates with the dissolution of the alumina shell into the molten Al core to generate heat. This is followed by the incorporation of environmental oxygen atoms into the resulting Al-rich shell, thereby accelerating the heat release. These results reveal an unexpectedly active role of the alumina shell as a “nanoreactor” for oxidation

  18. Cluster Decline and Resilience

    DEFF Research Database (Denmark)

    Østergaard, Christian Richter; Park, Eun Kyung

    Most studies on regional clusters focus on identifying factors and processes that make clusters grow. However, sometimes technologies and market conditions suddenly shift, and clusters decline. This paper analyses the process of decline of the wireless communication cluster in Denmark, 1963...... in new resources to the cluster but being quick to withdraw in times of crisis....

  19. On the validity of the aluminum equivalent approximation in space radiation shielding applications

    Science.gov (United States)

    Badavi, Francis F.; Adams, Daniel O.; Wilson, John W.

    2010-09-01

    approximated by a spherical shell shield, and the effects of the aluminum equivalent approximation for a good polymeric shield material such as generic polyethylene (PE). The shield thickness is represented by a 25 g/cm 2 spherical shell. Although, one could imagine the progression to greater thickness, the current range will be sufficient to evaluate the qualitative usefulness of the aluminum equivalent approximation. Upon establishing the inaccuracies of the aluminum equivalent approximation through numerical simulations of the GCR radiation field attenuation for PE and aluminum equivalent PE spherical shells, we further present results for a limited set of commercially available, hydrogen rich, multifunctional polymeric constituents to assess the effect of the aluminum equivalent approximation on their radiation attenuation response as compared to the generic PE.

  20. Oxidation kinetics of aluminum diboride

    Science.gov (United States)

    Whittaker, Michael L.; Sohn, H. Y.; Cutler, Raymond A.

    2013-11-01

    The oxidation characteristics of aluminum diboride (AlB2) and a physical mixture of its constituent elements (Al+2B) were studied in dry air and pure oxygen using thermal gravimetric analysis to obtain non-mechanistic kinetic parameters. Heating in air at a constant linear heating rate of 10 °C/min showed a marked difference between Al+2B and AlB2 in the onset of oxidation and final conversion fraction, with AlB2 beginning to oxidize at higher temperatures but reaching nearly complete conversion by 1500 °C. Kinetic parameters were obtained in both air and oxygen using a model-free isothermal method at temperatures between 500 and 1000 °C. Activation energies were found to decrease, in general, with increasing conversion for AlB2 and Al+2B in both air and oxygen. AlB2 exhibited O2-pressure-independent oxidation behavior at low conversions, while the activation energies of Al+2B were higher in O2 than in air. Differences in the composition and morphology between oxidized Al+2B and AlB2 suggested that Al2O3-B2O3 interactions slowed Al+2B oxidation by converting Al2O3 on aluminum particles into a Al4B2O9 shell, while the same Al4B2O9 developed a needle-like morphology in AlB2 that reduced oxygen diffusion distances and increased conversion. The model-free kinetic analysis was critical for interpreting the complex, multistep oxidation behavior for which a single mechanism could not be assigned. At low temperatures, moisture increased the oxidation rate of Al+2B and AlB2, but both appear to be resistant to oxidation in cool, dry environments.

  1. Development of Alcoa aluminum foam products

    Energy Technology Data Exchange (ETDEWEB)

    Bryant, J.D.; Crowley, M.D.; Wang, W.; Wilhelmy, D.M.; Hunter, D.E. [Alcoa Technical Center, Alcoa Center, PA (United States)

    2007-07-01

    A new lightweight aluminum foam product was described. The foam was made through the controlled decomposition of carbonate powders within molten aluminum and was able to resist both coalescence and drainage. The fine-celled aluminum foam derived its physical and mechanical properties from the properties of the aluminum alloy matrix from which they were produced. The rheology of the molten aluminum was modified to provide a superior mesostructure. Stabilization was achieved by creating a solid-gas-liquid suspension initiated by the addition of carbonates into an aluminum alloy melt. A cascade of chemical reactions then occurred within the melt to create a foamable suspension. Carbon monoxide (CO) was generated to initiate an additional sequence of chemical reactions which resulted in the formation of solid particles within the liquid metal. CO reacted with liquid Al to form graphite. The graphite then reacted with Al to form aluminum carbide (Al{sub 4}C{sub 3}). The microstructural, mesostructural, and mechanical character of the foams produced under different processing conditions were examined. Details of experimental test procedures were also described. It was concluded that the specific crush energy absorption was as high as 20 kJ/kg. The foam exhibited a bending stiffness that was approximately 20 to 30 times higher than balsa and polymer foams. 14 refs., 2 tabs., 7 figs.

  2. Applications of pattern recognition in aluminum alloy texture characterization

    Science.gov (United States)

    Liu, Guizhong; Rehbein, D. K.; Foley, James C.; Thompson, R. B.

    2000-05-01

    This paper presents a methodology to extract texture information in Aluminum alloys using pattern recognition algorithm. The orientation of the samples can be obtained by the orientation Image Microscope (OIM) technique. The ISO DATA pattern recognition algorithm is implemented to classify the OIM data into different clusters. Based on the classification results, the probability density function (pdf) is estimated. Then, the pdf is expanded as a series of Legendre functions with coefficients, i.e., the orientation distribution coefficients (ODC) as texture parameters. Three of these ODC's are of special interests, namely W400, W420, and W440. This paper includes results from ultrasonic NDE and this novel algorithm.—Ames Laboratory is operated for U.S. Department of Energy by Iowa State University under Contract W-7405-ENG-82. This work was supported by the Office of Basic Energy Sciences as a part of the Center of Excellence of the Synthesis and Processing of Advanced Materials.

  3. Lead exposure from aluminum cookware in Cameroon

    Energy Technology Data Exchange (ETDEWEB)

    Weidenhamer, Jeffrey D.; Kobunski, Peter A. [Department of Chemistry, Geology and Physics, 401 College Ave., Ashland University, Ashland, OH 44805 (United States); Kuepouo, Gilbert [Research and Education Centre for Development (CREPD), Yaounde (Cameroon); Corbin, Rebecca W. [Department of Chemistry, Geology and Physics, 401 College Ave., Ashland University, Ashland, OH 44805 (United States); Gottesfeld, Perry, E-mail: pgottesfeld@okinternational.org [Occupational Knowledge International, San Francisco, CA (United States)

    2014-10-15

    Blood lead levels have decreased following the removal of lead from gasoline in most of the world. However, numerous recent studies provide evidence that elevated blood lead levels persist in many low and middle-income countries around the world at much higher prevalence than in the more developed countries. One potential source of lead exposure that has not been widely investigated is the leaching of lead from artisanal aluminum cookware, which is commonly used in the developing world. Twenty-nine samples of aluminum cookware and utensils manufactured by local artisans in Cameroon were collected and analyzed for their potential to release lead during cooking. Source materials for this cookware included scrap metal such as engine parts, radiators, cans, and construction materials. The lead content of this cookware is relatively low (< 1000 ppm by X-ray fluorescence), however significant amounts of lead, as well as aluminum and cadmium were released from many of the samples using dilute acetic acid extractions at boiling and ambient temperatures. Potential exposures to lead per serving were estimated to be as high as 260 μg, indicating that such cookware can pose a serious health hazard. We conclude that lead, aluminum and cadmium can migrate from this aluminum cookware during cooking and enter food at levels exceeding recommended public health guidelines. Our results support the need to regulate lead content of materials used to manufacture these pots. Artisanal aluminum cookware may be a major contributor to lead poisoning throughout the developing world. Testing of aluminum cookware in other developing countries is warranted. - Highlights: • Cookware is manufactured in Cameroon from scrap aluminum including car parts. • Twenty-nine cookware samples were evaluated for their potential to leach lead. • Boiling extractions to simulate the effects of cooking released significant lead. • Potential lead exposures per serving are estimated as high as 260 μg.

  4. Mechanism of vacancy formation induced by hydrogen in tungsten

    Directory of Open Access Journals (Sweden)

    Yi-Nan Liu

    2013-12-01

    Full Text Available We report a hydrogen induced vacancy formation mechanism in tungsten based on classical molecular dynamics simulations. We demonstrate the vacancy formation in tungsten due to the presence of hydrogen associated directly with a stable hexagonal self-interstitial cluster as well as a linear crowdion. The stability of different self-interstitial structures has been further studied and it is particularly shown that hydrogen plays a crucial role in determining the configuration of SIAs, in which the hexagonal cluster structure is preferred. Energetic analysis has been carried out to prove that the formation of SIA clusters facilitates the formation of vacancies. Such a mechanism contributes to the understanding of the early stage of the hydrogen blistering in tungsten under a fusion reactor environment.

  5. Cluster chemistry in the Noughties: new developments and their relationship to nanoparticles.

    Science.gov (United States)

    Hogarth, Graeme; Kabir, Shariff E; Nordlander, Ebbe

    2010-07-21

    Over the past decade, the chemistry of low-valent transition metal clusters has again come to the fore, primarily as a result of the development of nanochemistry and the realization that large clusters are on the cusp of the nano-domain. This perspective focuses on these recent developments in low-valent transition metal cluster chemistry, specifically looking at cluster-nanoparticles, the use of small and medium sized clusters as nanoparticle precursors, the development of clusters as homogeneous catalysts and hydrogen uptake and storage systems, together with fundamental discoveries relating to novel transformations that can take place within the cluster framework.

  6. Spray Rolling Aluminum Strip for Transportation Applications

    Energy Technology Data Exchange (ETDEWEB)

    Kevin M. McHugh; Y. Lin; Y. Zhou; E. J. Lavernia; J.-P. Delplanque; S. B. Johnson

    2005-02-01

    Spray rolling is a novel strip casting technology in which molten aluminum alloy is atomized and deposited into the roll gap of mill rolls to produce aluminum strip. A combined experimental/modeling approach has been followed in developing this technology with active participation from industry. The feasibility of this technology has been demonstrated at the laboratory scale and it is currently being scaled-up. This paper provides an overview of the process and compares the microstructure and properties of spray-rolled 2124 aluminum alloy with commercial ingot-processed material

  7. Fatigue analysis of aluminum drill pipes

    Directory of Open Access Journals (Sweden)

    João Carlos Ribeiro Plácido

    2005-12-01

    Full Text Available An experimental program was performed to investigate the fundamental fatigue mechanisms of aluminum drill pipes. Initially, the fatigue properties were determined through small-scale tests performed in an optic-mechanical fatigue apparatus. Additionally, full-scale fatigue tests were carried out with three aluminum drill pipe specimens under combined loading of cyclic bending and constant axial tension. Finally, a finite element model was developed to simulate the stress field along the aluminum drill pipe during the fatigue tests and to estimate the stress concentration factors inside the tool joints. By this way, it was possible to estimate the stress values in regions not monitored during the fatigue tests.

  8. Nanshan Aluminum Reached Strategic Cooperation with CSR Corporation Limited

    Institute of Scientific and Technical Information of China (English)

    2015-01-01

    As a key supplier of aluminum profiles and aluminum plate,sheet and trip products for CSR Corporation Limited,Nanshan Aluminum will join hands with CSR Corporation Limited to reach strategic cooperation.On January 5,Nanshan Aluminum signed strategic cooperation agreement with CSR Sifang Locomotive&Rolling; Stock Co.,Ltd,both

  9. Changes in porosity of foamed aluminum during solidification

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    In order to control the porosity of foamed aluminum, the changes in the porosity of foamed aluminum melt in the processes of foaming and solidification, the distribution of the porosity of foamed aluminum, and the relationship between them were studied. The results indicated that the porosity of foamed aluminum coincides well with the foaming time.

  10. Formulation and method for preparing gels comprising hydrous aluminum oxide

    Science.gov (United States)

    Collins, Jack L.

    2014-06-17

    Formulations useful for preparing hydrous aluminum oxide gels contain a metal salt including aluminum, an organic base, and a complexing agent. Methods for preparing gels containing hydrous aluminum oxide include heating a formulation to a temperature sufficient to induce gel formation, where the formulation contains a metal salt including aluminum, an organic base, and a complexing agent.

  11. Partitional clustering algorithms

    CERN Document Server

    2015-01-01

    This book summarizes the state-of-the-art in partitional clustering. Clustering, the unsupervised classification of patterns into groups, is one of the most important tasks in exploratory data analysis. Primary goals of clustering include gaining insight into, classifying, and compressing data. Clustering has a long and rich history that spans a variety of scientific disciplines including anthropology, biology, medicine, psychology, statistics, mathematics, engineering, and computer science. As a result, numerous clustering algorithms have been proposed since the early 1950s. Among these algorithms, partitional (nonhierarchical) ones have found many applications, especially in engineering and computer science. This book provides coverage of consensus clustering, constrained clustering, large scale and/or high dimensional clustering, cluster validity, cluster visualization, and applications of clustering. Examines clustering as it applies to large and/or high-dimensional data sets commonly encountered in reali...

  12. Modernization typologies industrial clusters

    Directory of Open Access Journals (Sweden)

    Karapetian, Eduard

    2011-11-01

    Full Text Available Generalized theoretical approach to the criteria of industrial clusters. On this basis, a detailed typology of industrial cluster structures, which takes into account the peculiarities of the functioning of clusters in the domestic economy.

  13. Diffuse Parenchymal Diseases Associated With Aluminum Use and Primary Aluminum Production

    OpenAIRE

    Taiwo, Oyebode A.

    2014-01-01

    Aluminum use and primary aluminum production results in the generation of various particles, fumes, gases, and airborne materials with the potential for inducing a wide range of lung pathology. Nevertheless, the presence of diffuse parenchymal or interstitial lung disease related to these processes remains controversial. The relatively uncommon occurrence of interstitial lung diseases in aluminum-exposed workers—despite the extensive industrial use of aluminum—the potential for concurrent exp...

  14. Coordination Structure of Aluminum in Magnesium Aluminum Hydroxide Studied by 27Al NMR

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The coordination structure of aluminum in magnesium aluminum hydroxide was studiedby 27Al NMR. The result showed that tetrahedral aluminum (AlⅣ) existed in magnesiumaluminum hydroxide, and the contents of AlⅣ increased with the increase of the ratio of Al/Mg andwith the peptizing temperature. AlⅣ originated from the so-called Al13 polymer with the structureof one Al tetrahedron surrounded by twelve Al octahedrons.

  15. Advances in molecular vibrations and collision dynamics molecular clusters

    CERN Document Server

    Bacic, Zatko

    1998-01-01

    This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics.The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, refle...

  16. Molecular Cluster Perturbation Theory. I. Formalism

    CERN Document Server

    Byrd, Jason N; Molt,, Robert W; Bartlett, Rodney J; Sanders, Beverly A; Lotrich, Victor F

    2014-01-01

    We present second-order molecular cluster perturbation theory (MCPT(2)), a methodology to calculate arbitrarily large systems with explicit calculation of individual wavefunctions in a coupled cluster framework. This new MCPT(2) framework uses coupled cluster perturbation theory and an expansion in terms of molecular dimer interactions to obtain molecular wavefunctions that are infinite order in both the electronic fluctuation operator and all possible dimer (and products of dimers) interactions. The MCPT(2) framework has been implemented in the new SIA/ACES parallel architecture, making use of the advanced dynamic memory control and fine grained parallelism to perform very large explicit molecular cluster calculations. To illustrate the power of this method, we have computed energy shifts and lattice site dipole moments for the polar and non-polar configurations of solid hydrogen fluoride by scaling an explicit lattice to the bulk limit. The explicit lattice size without periodic boundary conditions was scal...

  17. Electrocatalytic studies of iridium based clusters for the oxygen reduction and hydrogen oxidation reactions in 0.5 M H2SO4, in the presence of fuel cell contaminants

    Energy Technology Data Exchange (ETDEWEB)

    Uribe-Godinez, J.; Jimenez-Sandoval, O.; Borja-Arco, E.; Altamirano-Gutierrez, A. [Centro de Investigacion y de Estudios Avanzados del Inst. Politecnico Nacional, Queretaro (Mexico); Castellanos, R.H. [Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada-Queretaro, Queretaro (Mexico)

    2008-07-01

    The development of a cost effective cathode catalyst which is tolerant to CH3OH is a priority for the development of proton exchange membrane fuel cells (PEMFCs) and direct methanol fuel cells (DMFCs). Ruthenium (Ru) and osmium nanoclusters are among the most promising alternatives to platinum (Pt) for the oxygen reduction reaction (ORR). However, iridium (Ir) is one of the most stable Pt group metals in acid media. Although it has a lower activity towards the ORR and hydrogen oxidation reaction (HOR) than platinum, its activity towards CH3OH is also lower than that of Pt. The synthetic procedure in this study was based on the pyrolysis of Ir4(CO)12 at 190 degrees C, under neutral (N2) and reductive atmospheres (H2) for 5 hours. The new materials were structurally characterized by FT-IR and micro-Raman spectroscopy, X-ray diffraction and scanning electron microscopy, and electrochemistry by the rotating disk electrode (RDE) technique in a 0.5 M H2SO4 electrolyte, at room temperature. This paper reported on the the electrokinetic parameters, such as the Tafel slope, the interchange current density and the transfer coefficient. It was concluded that the new materials are good candidates for their use as both anodes and cathodes as commercial platinum catalysts in PEMFC. All the new electrocatalysts performed the HOR, even in the presence of carbon monoxide, which is a clear advantage over Pt catalysts. 4 refs., 3 figs.

  18. The effects of polyethylene glycol (PEG) as an electrolyte additive on the corrosion behavior and electrochemical performances of pure aluminum in an alkaline zincate solution

    Energy Technology Data Exchange (ETDEWEB)

    Wang, X.Y. [Department of Chemistry, Zhejiang University, Hangzhou (China); Binzhou Medical College, Yantai (China); Wang, J.M.; Wang, Q.L.; Shao, H.B. [Department of Chemistry, Zhejiang University, Hangzhou (China); Zhang, J.Q. [Department of Chemistry, Zhejiang University, Hangzhou (China); State Key Laboratory for Corrosion and Protection of Metal, Institute of Metal Research, Chinese Academy of Sciences, Shenyang (China)

    2011-12-15

    The effects of zinc oxide and/or polyethylene glycol (PEG) as electrolyte additives on the corrosion and electrochemical performances of pure aluminum in 4.0 M KOH solutions were investigated by means of hydrogen collection, polarization curve, galvanostatic discharge, scanning electron microscopy (SEM), and energy dispersive analysis of X-ray (EDAX). The addition of ZnO markedly inhibited the corrosion of aluminum in 4.0 M KOH solutions, resulting from the deposition of zinc with high hydrogen evolution overpotential in aluminum surfaces. The introduction of PEG in the alkaline zincate solution obviously improved the deposition of zinc by increase in the overpotential of zinc deposition, thus the corrosion rate of aluminum in the alkaline zincate solutions with PEG was further decreased. The enhancement effect of PEG on the inhibition of zinc oxide first increased and then decreased with increasing the content of PEG in the electrolyte. The electrolyte system with 0.2 M ZnO and 2.0 mM PEG presented the highest inhibition efficiency (98.8%) for the corrosion of aluminum. The results of galvanostatic discharge indicated that the aluminum anode shows excellent discharge performances in the 4.0 M KOH solution with 0.2 M ZnO and 2.0 mM PEG. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. South West Aluminum: Next year The Capacity of Auto-use Aluminum Sheet will Reach 5000 Tonnes

    Institute of Scientific and Technical Information of China (English)

    2015-01-01

    Following supplying supporting aluminum products for"Shenzhou"spacecraft,"Long March"rocket,Boeing and Airbus,South West Aluminum again tapped new economic growth points,i.e.automobile-use aluminum products.According to what the reporter has learned from South West Aluminum Group recently,this group has finished early stage

  20. Southwest Aluminum Increase Two Production Lines and May Become the Largest Aluminum Fabricator In the World

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    <正>Recently,Wu Bing,Director of Chongqing Economic Committee,announced at the"Industrial Economy Meeting"that the city will"facilitate the technical upgrade and capacity expansion of the existing production lines at Southwest Aluminum with great efforts on the construction of one additional hot continuous rolling line and one cold continuous rolling line so as to have a comprehensive production ca- pacity of 1.2 million tons on aluminum processing profiles for the achievement of building Southwest Aluminum into the world largest aluminum processing enterprise".

  1. Preliminary Study on Aluminum Content of Foods and Aluminum Intake of Residents in Tianjin

    Institute of Scientific and Technical Information of China (English)

    XUGe-Sheng; JINRng-Pei; 等

    1993-01-01

    Aluminum contents of 64 kinds of foods in Tianjin were detrmined.The results showed that the aluminum levels in diffeent kinds of foods varied greatly,and most foodstuffs from natural sources(including contamination from food processing)contained less than 10mg/kg,Aluminum contents were higher in foodstuffs of plant origin,especiallydry beans containing large amounts of aluminum naturally.Lower concentration of aluminum seemed to be present in foodstuffs of animal origin.It was estimated that the potential daily intake of aluminum per person from natural dietary sources in Tianjin was about 3.79 mg.This estimated figure of dietary aluminum intake was very close to the measured data from 24 daily diets of college students.which was 4.86±1.72mg.Considering all the potential sources of natural aluminum in foods.water and the individual habitual food,it would apear that most residents in Tianjin would consume 3-10mg aluminum daily from natural dietary sources.

  2. Infiltration of molten aluminum in aluminum-nickel powder preform

    International Nuclear Information System (INIS)

    It has been shown by the present author that when molten aluminum comes in contact with nickel, an exothermic reaction is initiated and both stiochiometric and non-stiochiometric phases form at the interface. For nickel powders, such reaction is expected to be much faster due to high surface area to volume ratio of the fine particles. Infiltration of molten metals in ceramics powder preforms has long been used to fabricate near or net-shaped Metal Matrix Composite components. For metallic preforms however, it is important to see if the exothermic reaction compromises the infiltration of the molten metal constituent, i.e. defective components. The current project studied the fabrication of near net-shaped Intermetallic Matrix Composites, (IMC) via molten metal infiltration and subsequent reaction with the metal powder preform. X-ray diffraction (XRD), Optical and SEM microscopes were used to characterize the infiltration, reaction and the resulted microstructure. It is expected that the molten metal temperature, holding time within the molten metal, the infiltration pressure, i.e. metallostatic pressure and the preform compaction pressure are all important parameters to be considered carefully to achieve sound components. The current report examined the feasibility of such fabrication technique and the resultant microstructure. (author)

  3. Profit of Aluminum Industry Dropped Sharply

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    <正>On August 2nd,the Ministry of Industry and Information Technology published the performance of nonferrous metal industry in the first half of 2011.Relevant data showed that due to cost increase,aluminum smelting enter

  4. Aluminum plasmonic multicolor meta-hologram.

    Science.gov (United States)

    Huang, Yao-Wei; Chen, Wei Ting; Tsai, Wei-Yi; Wu, Pin Chieh; Wang, Chih-Ming; Sun, Greg; Tsai, Din Ping

    2015-05-13

    We report a phase-modulated multicolor meta-hologram (MCMH) that is polarization-dependent and capable of producing images in three primary colors. The MCMH structure is made of aluminum nanorods that are arranged in a two-dimensional array of pixels with surface plasmon resonances in red, green, and blue. The aluminum nanorod array is patterned on a 30 nm thick SiO2 spacer layer sputtered on top of a 130 nm thick aluminum mirror. With proper design of the structure, we obtain resonances of narrow bandwidths to allow for implementation of the multicolor scheme. Taking into account of the wavelength dependence of the diffraction angle, we can project images to specific locations with predetermined size and order. With tuning of aluminum nanorod size, we demonstrate that the image color can be continuously varied across the visible spectrum.

  5. Macrodeformation Twins in Single-Crystal Aluminum

    Science.gov (United States)

    Zhao, F.; Wang, L.; Fan, D.; Bie, B. X.; Zhou, X. M.; Suo, T.; Li, Y. L.; Chen, M. W.; Liu, C. L.; Qi, M. L.; Zhu, M. H.; Luo, S. N.

    2016-02-01

    Deformation twinning in pure aluminum has been considered to be a unique property of nanostructured aluminum. A lingering mystery is whether deformation twinning occurs in coarse-grained or single-crystal aluminum at scales beyond nanotwins. Here, we present the first experimental demonstration of macrodeformation twins in single-crystal aluminum formed under an ultrahigh strain rate (˜106 s-1 ) and large shear strain (200%) via dynamic equal channel angular pressing. Large-scale molecular dynamics simulations suggest that the frustration of subsonic dislocation motion leads to transonic deformation twinning. Deformation twinning is rooted in the rate dependences of dislocation motion and twinning, which are coupled, complementary processes during severe plastic deformation under ultrahigh strain rates.

  6. China Aluminum Processing Industry Development Report 2011

    Institute of Scientific and Technical Information of China (English)

    2012-01-01

    <正>In 2011,China’s aluminum processing industry maintained a high growth rate,with the aluminum output reaching 23,456,000tons,up 20.6% y-o-y.Overshadowed by complicated situation both at home and abroad,China’seconomy slowed down and declined by2.2% y-o-y.In 2011,China’s aluminum processing industry showed a downward tendency,that is,it grew at a high speed before the3rd quarter,but suffered from a shortage of orders in the remaining time of the year and the growth rate fell increasingly.Between January and August,China’s aluminum output rose by 26% y-o-y;

  7. Shock wave compression behavior of aluminum foam

    Institute of Scientific and Technical Information of China (English)

    程和法; 黄笑梅; 薛国宪; 韩福生

    2003-01-01

    The shock wave compression behavior of the open cell aluminum foam with relative density of 0. 396 was studied through planar impact experiments. Using polyvinylidene fluoride(PVDF) piezoelectric gauge technique, the stress histories and propagation velocities of shock wave in the aluminum foam were measured and analyzed. The results show that the amplitude of shock wave attenuates rapidly with increasing the propagation distance in the aluminum foam, and an exponential equation of the normalized peak stress vs propagation distance of shock wave is established, the attenuation factor in the equation is 0. 286. Furthermore, the Hugoniot relation, νs = 516.85+ 1.27νp,for the aluminum foam is determined by empirical fit to the experimental Hugoniot data.

  8. Aluminum-CNF Lightweight Radiator Components Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This proposal relates to a new materials concept for an aluminum-carbon nanofiber composite, high thermal conductivity ultra lightweight material that will form the...

  9. Over-heated Investment in Aluminum Hub Industry

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    <正>Aluminum hub is one of typical products with the comparative advantages.China’s aluminum hub industry is very competitive.In recent years,the value of export for the aluminum hub soared,increasing from USD130 millions in 1999 up to nearly USD1 billion in 2004.The main exporter are Wanfeng Auto Holding Group,Shanghai Fervent Alloy Wheel MFG Co.,Ltd.,Nanhai Zhongnan Aluminum Co., Ltd.,Taian Huatai Aluminum Hub Co.,Ltd.

  10. Anodic Activation of Aluminum by Trace Element Tin

    OpenAIRE

    Tan, Juan

    2011-01-01

    Anodic activation of commercial and model aluminum alloys in chloride solution became of practical importance in connection with filiform corrosion of painted aluminum sheet in architectural application and aluminum components of brazed heat exchangers. Activation in chloride solution manifests itself in the form of a significant negative shift in the pitting potential relative to pure aluminum and a significant increase in the anodic current output at potentials where aluminum is normally ex...

  11. Helium-tight Laser Beam Welding of Aluminum with Brillant Laser Beam Radiation

    Science.gov (United States)

    Heinen, Paul; Wu, Hao; Olowinsky, Alexander; Gillner, Arnold

    The substitution of steel as base metal for casings and packaging applications has increased during the last years. Especially aluminum with advantages in weight and machining effort has become a versatile solution for applications in fine mechanics (e.g. sensor housings) and automotive applications. Joining of aluminum components is more critical due to possible crack formation in the joining seam and uneven seam geometry. With the high intensity of brillant laser beam sources the specific challenges of aluminum welding can be overcome. Due to its hydrogen affinity and high degree of reflection for laser radiation at a wavelength of 1 μm (95%) aluminum needs to be welded with proper shielding gas support and high beam quality in order to avoid seam defects. Cracks and pores can lead to non-sufficient tightness for sensor applications and early failure. Housing components have been joined to form a functioning unit in order to seal electrical or measuring components, which are helium-tight for these applications.

  12. Appearance of the bulk motif in Al clusters

    Science.gov (United States)

    Sun, Jiao; Lu, Wen-Cai; Li, Ze-Sheng; Wang, C. Z.; Ho, K. M.

    2008-07-01

    We have performed an unbiased search for the lowest-energy structures of medium-sized aluminum clusters Aln (n=19-26) using a genetic algorithm (GA) coupled with a tight-binding interatomic potential. Structural candidates obtained from our GA search were further optimized using density functional theory. It is found that the double icosahedron is not the most stable structure for Al19 but serves as the core for Al20 and Al21. The lowest-energy structures of Aln are found to undergo a transition to an aluminum bulk motif above Al23. In particular, the lowest-energy structure of Al26 is almost a fragment of the bulk face-centered-cubic crystal except for the stacking fault at the bottom layer. Anion clusters were also studied.

  13. Fast LIBS Identification of Aluminum Alloys

    Directory of Open Access Journals (Sweden)

    Tawfik W.

    2007-04-01

    Full Text Available Laser-induced breakdown spectroscopy (LIBS has been applied to analysis aluminum alloy targets. The plasma is generated by focusing a 300 mJ pulsed Nd: YAG laser on the target in air at atmospheric pressure. Such plasma emission spectrum was collected using a one-meter length wide band fused-silica optical fiber connected to a portable Echelle spectrometer with intensified CCD camera. Spectroscopic analysis of plasma evolution of laser produced plasmas has been characterized in terms of their spectra, electron density and electron temperature assuming the LTE and optically thin plasma conditions. The LIBS spectrum was optimized for high S/N ratio especially for trace elements. The electron temperature and density were determined using the emission intensity and stark broadening, respectively, of selected aluminum spectral lines. The values of these parameters were found to change with the aluminum alloy matrix, i.e. they could be used as a fingerprint character to distinguish between different aluminum alloy matrices using only one major element (aluminum without needing to analysis the rest of elements in the matrix. Moreover, It was found that the values of T(e and N(e decrease with increasing the trace elements concentrations in the aluminum alloy samples. The obtained results indicate that it is possible to improve the exploitation of LIBS in the remote on-line industrial monitoring application, by following up only the values of T(e and N(e for the aluminum in aluminum alloys using an optical fiber probe.

  14. Fast LIBS Identification of Aluminum Alloys

    Directory of Open Access Journals (Sweden)

    Tawfik W.

    2007-04-01

    Full Text Available Laser-induced breakdown spectroscopy (LIBS has been applied to analysis aluminum alloy targets. The plasma is generated by focusing a 300 mJ pulsed Nd: YAG laser on the target in air at atmospheric pressure. Such plasma emission spectrum was collected using a one-meter length wide band fused-silica optical fiber connected to a portable Echelle spectrometer with intensified CCD camera. Spectroscopic analysis of plasma evolution of laser produced plasmas has been characterized in terms of their spectra, electron density and electron temperature assuming the LTE and optically thin plasma conditions. The LIBS spectrum was optimized for high S/N ratio especially for trace elements. The electron temperature and density were determined using the emission intensity and stark broadening, respectively, of selected aluminum spectral lines. The values of these parameters were found to change with the aluminum alloy matrix, i.e. they could be used as a fingerprint character to distinguish between different aluminum alloy matrices using only one major element (aluminum without needing to analysis the rest of elements in the matrix. Moreover, It was found that the values of T e and N e decrease with increasing the trace elements concentrations in the aluminum alloy samples. The obtained results indicate that it is possible to improve the exploitation of LIBS in the remote on-line industrial monitoring application, by following up only the values of T e and N e for aluminum in aluminum alloys as a marker for the correct alloying using an optical fiber probe.

  15. Advanced powder metallurgy aluminum alloys and composites

    Science.gov (United States)

    Lisagor, W. B.; Stein, B. A.

    1982-01-01

    The differences between powder and ingot metallurgy processing of aluminum alloys are outlined. The potential payoff in the use of advanced powder metallurgy (PM) aluminum alloys in future transport aircraft is indicated. The national program to bring this technology to commercial fruition and the NASA Langley Research Center role in this program are briefly outlined. Some initial results of research in 2000-series PM alloys and composites that highlight the property improvements possible are given.

  16. ALUMINUM FOIL REINFORCED BY CARBON NANOTUBES

    OpenAIRE

    A. V. Alekseev; PREDTECHENSKIY M.R.

    2016-01-01

    In our research, the method of manufacturing an Al-carbon nanotube (CNT) composite by hot pressing and cold rolling was attempted. The addition of one percent of multi-walled carbon nanotubes synthesized by OCSiAl provides a significant increase in the ultimate tensile strength of aluminum. The tensile strength of the obtained composite material is at the tensile strength level of medium-strength aluminum alloys.

  17. Oxidation kinetics of aluminum diboride

    International Nuclear Information System (INIS)

    The oxidation characteristics of aluminum diboride (AlB2) and a physical mixture of its constituent elements (Al+2B) were studied in dry air and pure oxygen using thermal gravimetric analysis to obtain non-mechanistic kinetic parameters. Heating in air at a constant linear heating rate of 10 °C/min showed a marked difference between Al+2B and AlB2 in the onset of oxidation and final conversion fraction, with AlB2 beginning to oxidize at higher temperatures but reaching nearly complete conversion by 1500 °C. Kinetic parameters were obtained in both air and oxygen using a model-free isothermal method at temperatures between 500 and 1000 °C. Activation energies were found to decrease, in general, with increasing conversion for AlB2 and Al+2B in both air and oxygen. AlB2 exhibited O2-pressure-independent oxidation behavior at low conversions, while the activation energies of Al+2B were higher in O2 than in air. Differences in the composition and morphology between oxidized Al+2B and AlB2 suggested that Al2O3–B2O3 interactions slowed Al+2B oxidation by converting Al2O3 on aluminum particles into a Al4B2O9 shell, while the same Al4B2O9 developed a needle-like morphology in AlB2 that reduced oxygen diffusion distances and increased conversion. The model-free kinetic analysis was critical for interpreting the complex, multistep oxidation behavior for which a single mechanism could not be assigned. At low temperatures, moisture increased the oxidation rate of Al+2B and AlB2, but both appear to be resistant to oxidation in cool, dry environments. - Graphical abstract: Isothermal kinetic data for AlB2 in air, showing a constantly decreasing activation energy with increasing conversion. Model-free analysis allowed for the calculation of global kinetic parameters despite many simultaneous mechanisms occurring concurrently. (a) Time–temperature plots, (b) conversion as a function of time, (c) Arrhenius plots used to calculate activation energies, and (d) activation energy

  18. Transfer and transport of aluminum in filtration unit

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Aluminum salt coagulants were used prevalently in various water works. In this article, the effects of filtration on residual aluminum concentration and species distribution were researched by determining the concentration of different Aluminum species before and after single layer filter, double layer filter, and membrane filtration units. In the research, size exclusion chromatography (SEC) was used to separate colloidal and soluble aluminum, ion exchange chromatography (IEC) was used to separate organic and inorganic aluminum, and inductivity coupled plasma-atomic emission spectrometry (ICP-AES) was used to determine the aluminum concentration. The results showed that the rapid filtration process had the ability of removing residual aluminum from coagulant effluent water, and that double layer filtration was more effective in residual aluminum removal than single layer filtration, while Nano filtration was more effective than micro filtration. It was found that when the residual aluminum concentration was below 1mg/L in sediment effluent, the residual aluminum concentration in treated water was above 0.2 mg/L. The direct rapid filtration process mainly removed the suspended aluminum. The removal of soluble and colloidal aluminum was always less than 10% and the natural small particles that adsorbed the amount of soluble or small particles aluminum on their surface were difficult to be removed in this process. Micro filtration and nano filtration were good technologies for removing aluminum; the residual aluminum concentration in the effluent was less than 0.05 mg/L.

  19. Factorial PD-Clustering

    CERN Document Server

    Tortora, Cristina; Summa, Mireille Gettler

    2011-01-01

    Factorial clustering methods have been developed in recent years thanks to the improving of computational power. These methods perform a linear transformation of data and a clustering on transformed data optimizing a common criterion. Factorial PD-clustering is based on Probabilistic Distance clustering (PD-clustering). PD-clustering is an iterative, distribution free, probabilistic, clustering method. Factorial PD-clustering make a linear transformation of original variables into a reduced number of orthogonal ones using a common criterion with PD-Clustering. It is demonstrated that Tucker 3 decomposition allows to obtain this transformation. Factorial PD-clustering makes alternatively a Tucker 3 decomposition and a PD-clustering on transformed data until convergence. This method could significantly improve the algorithm performance and allows to work with large dataset, to improve the stability and the robustness of the method.

  20. The IMF of Globular Clusters

    Science.gov (United States)

    De Marchi, G.; Paresce, F.

    1999-12-01

    Accurate luminosity functions (LF) for a dozen globular clusters have now been measured at or just beyond their half-light radius using HST. They span almost the entire cluster main sequence below 0.75 MO. All these clusters exhibit LF that rise continuously from an absolute I magnitude MI 6 to a peak at MI 8.5-9 and then drop with increasing MI. Transformation of the LF into mass functions (MF) by means of the most recent mass luminosity relations that are consistent with all presently available data on the physical properties of low mass, low metallicity stars shows that all the LF observed so far can be obtained from MF having the shape of a log-normal distribution with characteristic mass mc=0.33 +/- 0.03 MO and standard deviation sigma =1.81 +/- 0.19. In particular, the LF of the four clusters in the sample that extend well beyond the peak luminosity down to close to the Hydrogen burning limit (NGC6341, NGC6397, NGC6752, and NGC6809) can only be reproduced by such distributions and not by a single power-law in the 0.1 - 0.6 MO range. After correction for the effects of mass segregation, the variation of the ratio of the number of higher to lower mass stars with cluster mass or any simple orbital parameter or the expected time to disruption recently computed for these clusters shows no statistically significant trend over a range of this last parameter of more than a factor of 100. We conclude that the global MF of these clusters have not been measurably modified by evaporation and tidal interactions with the Galaxy and, thus, should reflect the initial distribution of stellar masses. Since the log-normal function that we find is also very similar to the one obtained independently for much younger clusters and to the form expected theoretically, the implication seems to be unavoidable that it represents the true stellar IMF for this type of stars in this mass range.

  1. Spark plasma sintering of aluminum matrix composites

    Science.gov (United States)

    Yadav, Vineet

    2011-12-01

    Aluminum matrix composites make a distinct category of advanced engineering materials having superior properties over conventional aluminum alloys. Aluminum matrix composites exhibit high hardness, yield strength, and excellent wear and corrosion resistance. Due to these attractive properties, aluminum matrix composites materials have many structural applications in the automotive and the aerospace industries. In this thesis, efforts are made to process high strength aluminum matrix composites which can be useful in the applications of light weight and strong materials. Spark Plasma Sintering (SPS) is a relatively novel process where powder mixture is consolidated under the simultaneous influence of uniaxial pressure and pulsed direct current. In this work, SPS was used to process aluminum matrix composites having three different reinforcements: multi-wall carbon nanotubes (MWCNTs), silicon carbide (SiC), and iron-based metallic glass (MG). In Al-CNT composites, significant improvement in micro-hardness, nano-hardness, and compressive yield strength was observed. The Al-CNT composites further exhibited improved wear resistance and lower friction coefficient due to strengthening and self-lubricating effects of CNTs. In Al-SiC and Al-MG composites, microstructure, densification, and tribological behaviors were also studied. Reinforcing MG and SiC also resulted in increase in micro-hardness and wear resistance.

  2. Aluminum neurotoxicity in the rat brain

    International Nuclear Information System (INIS)

    To investigate the etiology of Alzheimer's disease, we administered aluminum to healthy rats and examined the aluminum uptake in the brain and isolated brain cell nuclei by particle-induced X-ray emission (PIXE) analysis. Ten days after the last injection, Al was detected in the rat brain and in isolated brain cell nuclei by PIXE analysis. Al was also demonstrated in the brain after 15 months of oral aluminum administration. Moreover, Al was detected in the brain and isolated brain cell nuclei from the patients with Alzheimer's disease. Silver impregnation studies revealed that spines attached to the dendritic processes of cortical nerve cells decreased remarkably after aluminum administration. Electron microscopy revealed characteristic inclusion bodies in the hippocampal nerve cells 75 days after the injection. These morphological changes in the rat brain after the aluminum administration were similar to those reportedly observed in the brain of Alzheimer's disease patients. Our results indicate that Alzheimer's disease is caused by irreversible accumulation of aluminum in the brain, as well as in the nuclei of brain cells. (author)

  3. Studies of aluminum in rat brain

    Energy Technology Data Exchange (ETDEWEB)

    Lipman, J.J.; Brill, A.B.; Som, P.; Jones, K.W.; Colowick, S.; Cholewa, M.

    1985-01-01

    The effects of high aluminum concentrations in rat brains were studied using /sup 14/C autoradiography to measure the uptake of /sup 14/C 2-deoxy-D-glucose (/sup 14/C-2DG) and microbeam proton-induced x-ray emission (microPIXE) with a 20-..mu..m resolution to measure concentrations of magnesium, aluminum, potassium, and calcium. The aluminum was introduced intracisternally in the form of aluminum tartrate (Al-T) while control animals were given sodium tartrate (Na-T). The /sup 14/C was administered intravenously. The animals receiving Al-T developed seizure disorders and had pathological changes that included cerebral cortical atrophy. The results showed that there was a decreased uptake of /sup 14/C-2DG in cortical regions in which increased aluminum levels were measured, i.e., there is a correlation between the aluminum in the rat brain and decreased brain glucose metabolism. A minimum detection limit of about 16 ppM (mass fraction) or 3 x 10/sup 9/ Al atoms was obtained for Al under the conditions employed. 14 refs., 4 figs., 1 tab.

  4. Tribology in Gaseous Hydrogen

    Science.gov (United States)

    Sawae, Yoshinori; Sugimura, Joich

    Hydrogen is expected as a clean and renewable energy carrier for future environment-friendly society. Many machine elements in hydrogen energy systems should be operating within hydrogen gas and tribological behavior, such as friction and wear, of bearings and seals are affected by the hydrogen environment through some interactions between material surfaces and gaseous hydrogen, i.e., physisorption of hydrogen molecules and following chemisorptions of dissociated atoms on metal surfaces, formation of metal hydride and reduction of metal oxide layer by hydrogen atoms diffused into bulk. Therefore, friction and wear characteristics of tribomaterials in the hydrogen environment should be appropriately understood to establish a design guideline for reliable hydrogen utilizing systems. This paper reviews the current knowledge about the effect of hydrogen on friction and wear of materials, and then describes our recent progress of hydrogen research in the tribology field.

  5. Possibilistic Exponential Fuzzy Clustering

    Institute of Scientific and Technical Information of China (English)

    Kiatichai Treerattanapitak; Chuleerat Jaruskulchai

    2013-01-01

    Generally,abnormal points (noise and outliers) cause cluster analysis to produce low accuracy especially in fuzzy clustering.These data not only stay in clusters but also deviate the centroids from their true positions.Traditional fuzzy clustering like Fuzzy C-Means (FCM) always assigns data to all clusters which is not reasonable in some circumstances.By reformulating objective function in exponential equation,the algorithm aggressively selects data into the clusters.However noisy data and outliers cannot be properly handled by clustering process therefore they are forced to be included in a cluster because of a general probabilistic constraint that the sum of the membership degrees across all clusters is one.In order to improve this weakness,possibilistic approach relaxes this condition to improve membership assignment.Nevertheless,possibilistic clustering algorithms generally suffer from coincident clusters because their membership equations ignore the distance to other clusters.Although there are some possibilistic clustering approaches that do not generate coincident clusters,most of them require the right combination of multiple parameters for the algorithms to work.In this paper,we theoretically study Possibilistic Exponential Fuzzy Clustering (PXFCM) that integrates possibilistic approach with exponential fuzzy clustering.PXFCM has only one parameter and not only partitions the data but also filters noisy data or detects them as outliers.The comprehensive experiments show that PXFCM produces high accuracy in both clustering results and outlier detection without generating coincident problems.

  6. Chemisorption and reactions on clusters of nickel atoms

    Science.gov (United States)

    Waber, J. T.; Adachi, H.; Yu, T.

    1982-01-01

    The nucleation and growth of metallic clusters on a substantially amorphous substrate are discussed with emphasis on the geometrical and electronic structure of the clusters. Several clusters of different symmetry containing five to nine nickel atoms were studied. It was found that the energy range of primary d-like states is not significantly different from the width of the d-band states in nickel metal, as long as the interatomic distance is comparable to that in the bulk metal. The approach of one or more molecules to the cluster is examined using at the hydrogenation of acetylene and the dehydrogenation of ethylene as examples.

  7. Characterization of Al30 in commercial poly-aluminum chlorohydrate by solid-state (27)Al NMR spectroscopy.

    Science.gov (United States)

    Phillips, Brian L; Vaughn, John S; Smart, Scott; Pan, Long

    2016-08-15

    Investigation of commercially produced hydrolysis salts of aluminum by solid-state (27)Al NMR spectroscopy and size-exclusion chromatography (SEC) reveals well-defined and distinct Al environments that can be related to physicochemical properties. (27)Al MAS and MQ-MAS NMR spectroscopic data show that the local structure of the solids is dominated by moieties that closely resemble the Al30 polyoxocation (Al30O8(OH)56(H2O)26(18+)), accounting for 72-85% of the total Al. These Al30-like clusters elute as several size fractions by SEC. Comparison of the SEC and NMR results indicates that the Al30-like clusters includes intact isolated clusters, moieties of larger polymers or aggregates, and possibly fragments resembling δ-Al13 Keggin clusters. The coagulation efficacy of the solids appears to correlate best with the abundance of intact Al30-like clusters and of smaller species available to promote condensation reactions. PMID:27232539

  8. Biodiscovery of aluminum binding peptides

    Science.gov (United States)

    Adams, Bryn L.; Sarkes, Deborah A.; Finch, Amethist S.; Hurley, Margaret M.; Stratis-Cullum, Dimitra

    2013-05-01

    Cell surface peptide display systems are large and diverse libraries of peptides (7-15 amino acids) which are presented by a display scaffold hosted by a phage (virus), bacteria, or yeast cell. This allows the selfsustaining peptide libraries to be rapidly screened for high affinity binders to a given target of interest, and those binders quickly identified. Peptide display systems have traditionally been utilized in conjunction with organic-based targets, such as protein toxins or carbon nanotubes. However, this technology has been expanded for use with inorganic targets, such as metals, for biofabrication, hybrid material assembly and corrosion prevention. While most current peptide display systems employ viruses to host the display scaffold, we have recently shown that a bacterial host, Escherichia coli, displaying peptides in the ubiquitous, membrane protein scaffold eCPX can also provide specific peptide binders to an organic target. We have, for the first time, extended the use of this bacterial peptide display system for the biodiscovery of aluminum binding 15mer peptides. We will present the process of biopanning with macroscopic inorganic targets, binder enrichment, and binder isolation and discovery.

  9. Final Report: Metal Perhydrides for Hydrogen Storage

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, J-Y.; Shi, S.; Hackney, S.; Swenson, D.; Hu, Y.

    2011-07-26

    H molecule contains one hydrogen atom because the valence of a Li ion is +1. One MgH2 molecule contains two hydrogen atoms because the valence of a Mg ion is +2. In metal perhydrides, a molecule could contain more hydrogen atoms than expected based on the metal valance, i.e. LiH1+n and MgH2+n (n is equal to or greater than 1). When n is sufficiently high, there will be plenty of hydrogen storage capacity to meet future requirements. The existence of hydrogen clusters, Hn+ (n = 5, 7, 9, 11, 13, 15) and transition metal ion-hydrogen clusters, M+(H2)n (n = 1-6), such as Sc(H2)n+, Co(H2)n+, etc., have assisted the development of this concept. Clusters are not stable species. However, their existence stimulates our approach on using electric charges to enhance the hydrogen adsorption in a hydrogen storage system in this study. The experimental and modeling work to verify it are reported here. Experimental work included the generation of cold hydrogen plasma through a microwave approach, synthesis of sorbent materials, design and construction of lab devices, and the determination of hydrogen adsorption capacities on various sorbent materials under various electric field potentials and various temperatures. The results consistently show that electric potential enhances the adsorption of hydrogen on sorbents. NiO, MgO, activated carbon, MOF, and MOF and platinum coated activated carbon are some of the materials studied. Enhancements up to a few hundred percents have been found. In general, the enhancement increases with the electrical potential, the pressure applied, and the temperature lowered. Theoretical modeling of the hydrogen adsorption on the sorbents under the electric potential has been investigated with the density functional theory (DFT) approach. It was found that the interaction energy between hydrogen and sorbent is increased remarkably when an electric field is applied. This increase of binding energy offers a potential solution for DOE when looking for a compromise

  10. Management of cluster headache

    DEFF Research Database (Denmark)

    Tfelt-Hansen, Peer C; Jensen, Rigmor H

    2012-01-01

    and agitation. Patients may have up to eight attacks per day. Episodic cluster headache (ECH) occurs in clusters of weeks to months duration, whereas chronic cluster headache (CCH) attacks occur for more than 1 year without remissions. Management of cluster headache is divided into acute attack treatment...

  11. Structures of Mn clusters

    Indian Academy of Sciences (India)

    Tina M Briere; Marcel H F Sluiter; Vijay Kumar; Yoshiyuki Kawazoe

    2003-01-01

    The geometries of several Mn clusters in the size range Mn13–Mn23 are studied via the generalized gradient approximation to density functional theory. For the 13- and 19-atom clusters, the icosahedral structures are found to be most stable, while for the 15-atom cluster, the bcc structure is more favoured. The clusters show ferrimagnetic spin configurations.

  12. Time exposure studies on stress corrosion cracking of aluminum 2014-T6, 2219-T87, 2014-T651, 7075-T651, and titanium 6Al-4V

    Science.gov (United States)

    Terrell, J.

    1973-01-01

    The effect of a constant applied stress in crack initiation of aluminum 2014-T6, 2219-T87, 2014-T651, 7075-T651 and titanium 6Al-4V has been investigated. Aluminum c-ring specimens (1-inch diameter) and u-band titanium samples were exposed continuously to a 3.5% NaCl solution (pH 7) and organic fluids of ethyl, methyl, and iso-propyl alcohol (reagent purity), and demineralized distilled water. Corrosive action was observed to begin during the first and second day of constant exposure as evidenced by accumulation of hydrogen bubbles on the surface of stressed aluminum samples. However, titanium stressed specimens showed no reactions to its environment. Results of this investigation seems to suggest that aluminum 2014-T6, aluminum 7075-T651 and aluminum 2014-T651 are susceptible to stress corrosion cracking in chloride solution (NaCl), while aluminum 2219-T87 seem to resist stress corrosion cracking in sodium chloride at three levels of stress (25%, 50%, and 75% Y.S.). In organic fluids of methyl, ethyl, and iso-propyl alcohol, 2014-T6 and 7075-T651 did not fail by SCC; but 2014-T651 was susceptible to SCC in methly alcohol, but resistant in ethyl alcohol, iso-propyl alcohol and demineralized distilled water.

  13. Hydrogen Storage in Boron Nitride and Carbon Nanomaterials

    Directory of Open Access Journals (Sweden)

    Takeo Oku

    2014-12-01

    Full Text Available Boron nitride (BN nanomaterials were synthesized from LaB6 and Pd/boron powder, and the hydrogen storage was investigated by differential thermogravimetric analysis, which showed possibility of hydrogen storage of 1–3 wt%. The hydrogen gas storage in BN and carbon (C clusters was also investigated by molecular orbital calculations, which indicated possible hydrogen storage of 6.5 and 4.9 wt%, respectively. Chemisorption calculation was also carried out for B24N24 cluster with changing endohedral elements in BN cluster to compare the bonding energy at nitrogen and boron, which showed that Li is a suitable element for hydrogenation to the BN cluster. The BN cluster materials would store H2 molecule easier than carbon fullerene materials, and its stability for high temperature would be good. Molecular dynamics calculations showed that a H2 molecule remains stable in a C60 cage at 298 K and 0.1 MPa, and that pressures over 5 MPa are needed to store H2 molecules in the C60 cage.

  14. Activation of aluminum as an effective reducing agent by pitting corrosion for wet-chemical synthesis.

    Science.gov (United States)

    Li, Wei; Cochell, Thomas; Manthiram, Arumugam

    2013-01-01

    Metallic aluminum (Al) is of interest as a reducing agent because of its low standard reduction potential. However, its surface is invariably covered with a dense aluminum oxide film, which prevents its effective use as a reducing agent in wet-chemical synthesis. Pitting corrosion, known as an undesired reaction destroying Al and is enhanced by anions such as F⁻, Cl⁻, and Br⁻ in aqueous solutions, is applied here for the first time to activate Al as a reducing agent for wet-chemical synthesis of a diverse array of metals and alloys. Specifically, we demonstrate the synthesis of highly dispersed palladium nanoparticles on carbon black with stabilizers and the intermetallic Cu₂Sb/C, which are promising candidates, respectively, for fuel cell catalysts and lithium-ion battery anodes. Atomic hydrogen, an intermediate during the pitting corrosion of Al in protonic solvents (e.g., water and ethylene glycol), is validated as the actual reducing agent. PMID:23390579

  15. Iron-aluminum alloys having high room-temperature and method for making same

    Science.gov (United States)

    Sikka, V.K.; McKamey, C.G.

    1993-08-24

    A wrought and annealed iron-aluminum alloy is described consisting essentially of 8 to 9.5% aluminum, an effective amount of chromium sufficient to promote resistance to aqueous corrosion of the alloy, and an alloying constituent selected from the group of elements consisting of an effective amount of molybdenum sufficient to promote solution hardening of the alloy and resistance of the alloy to pitting when exposed to solutions containing chloride, up to about 0.05% carbon with up to about 0.5% of a carbide former which combines with the carbon to form carbides for controlling grain growth at elevated temperatures, and mixtures thereof, and the balance iron, wherein said alloy has a single disordered [alpha] phase crystal structure, is substantially non-susceptible to hydrogen embrittlement, and has a room-temperature ductility of greater than 20%.

  16. An electrochemical study of the corrosion behavior of primer coated 2219-T87 aluminum

    Science.gov (United States)

    Danford, M. D.; Higgins, R. H.

    1985-01-01

    The corrosion behavior for 2219-T87 aluminum coated with various primers, including those used for the external tank and solid rocket boosters of the Space Shuttle Transportation System, were investigated using electrochemical techniques. Corrosion potential time, polarization resistance time, electrical resistance time, and corrosion rate time measurements were all investigated. It was found that electrical resistance time and corrosion rate time measurement were most useful for studying the corrosion behavior of painted aluminum. Electrical resistance time determination give useful information concerning the porosity of paint films, while corrosion rate time curves give important information concerning overall corrosion rates and corrosion mechanisms. In general, the corrosion rate time curves all exhibited at least one peak during the 30 day test period, which was attributed, according to the proposed mechanisms, to the onset of the hydrogen evolution reaction and the beginning of destruction of the protective properties of the paint film.

  17. A hydrogen ice cube

    NARCIS (Netherlands)

    Schrauwers, A.

    2004-01-01

    Hydrogen is considered to be a highly promising energy carrier. Nonetheless, before hydrogen can become the fuel of choice for the future a number of slight problems will have to be overcome. For example, how can hydrogen be safely stored? Motor vehicles running on hydrogen may be clean in concept b

  18. Deposition of aluminum-magnesium alloys from electrolytes containing organo-aluminum complexes

    Energy Technology Data Exchange (ETDEWEB)

    Lehmkuhl, H.; Mehler, K.; Bongard, H.; Tesche, B. [Max-Planck-Inst. fuer Kohlenforschung, Muelheim an der Ruhr (Germany); Reinhold, B. [Audi AG Technische Entwicklung, Ingolstadt (Germany)

    2001-06-01

    Organo-aluminum compounds have been used for many years as electrolytes in the coating industry. In this communication the development of a galvanic process for generating aluminum-magnesium coatings from organometallic electrolyte systems is reported as well as results on physical properties like adhesion, ductility and corrosion resistance. (orig.)

  19. The corrosion and electrochemical behavior of pure aluminum in additive-containing alkaline methanol-water mixed solutions

    Energy Technology Data Exchange (ETDEWEB)

    Wang, J.B.; Wang, J.M.; Shao, H.B.; Chang, X.T.; Wang, L. [Department of Chemistry, Zhejiang University, Hangzhou (China); Zhang, J.Q.; Cao, C.N. [Department of Chemistry, Zhejiang University, Hangzhou (China); State Key Laboratory for Corrosion and Protection of Metal, Institute of Metal Research, Chinese Academy of Sciences, Shenyang (China)

    2009-04-15

    The corrosion and electrochemical behavior of aluminum in inhibited and uninhibited 4 M KOH-methanol-water mixed solutions with a methanol/water volume ratio of 3:2 were investigated by means of hydrogen collection, polarization curve, galvanostatic discharge, and electrochemical impedance spectroscopy (EIS). The results of hydrogen collection and electrochemical experiments showed that the addition of ZnO can obviously inhibit the corrosion of aluminum in the 4 M KOH-methanol-water solutions, and its inhibition effect can be enhanced in the hydroxytryptamine (HT)-containing KOH solution. The results of scanning electron microscopy (SEM) and energy dispersive analysis of X-ray (EDAX) revealed that ZnO produces the inhibition effect by the formation of a zinc-containing deposit layer on the surface of aluminum, and the cooperative effect of ZnO and HT may improve the deposit of zinc. The results of galvanostatic discharge indicated that aluminum can present good electrochemical activity in the 4 M KOH-methanol-water solution with 0.2 M ZnO and 1.0 mL/L HT. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  20. Graded cluster algebras

    OpenAIRE

    Grabowski, Jan

    2015-01-01

    In the cluster algebra literature, the notion of a graded cluster algebra has been implicit since the origin of the subject. In this work, we wish to bring this aspect of cluster algebra theory to the foreground and promote its study. We transfer a definition of Gekhtman, Shapiro and Vainshtein to the algebraic setting, yielding the notion of a multi-graded cluster algebra. We then study gradings for finite type cluster algebras without coefficients, giving a full classification. Translating ...

  1. The Role of Particles in Fatigue Crack Propagation of Aluminum Matrix Composites and Casting Aluminum Alloys

    Institute of Scientific and Technical Information of China (English)

    Zhenzhong CHEN; Ping HE; Liqing CHEN

    2007-01-01

    Fatigue crack propagation (FCP) behaviors were studied to understand the role of SiC particles in 10 wt pct SiCp/A2024 composites and Si particles in casting aluminum alloy A356. The results show that a few particles appeared on the fracture surfaces in SiCp/Al composites even at high AK region, which indicates that cracks propagated predominantly within the matrix avoiding SiC particles due to the high strength of the particles and the strong particle/matrix interface. In casting aluminum alloy, Si particle debonding was more prominent.Compared with SiCp/Al composite, the casting aluminum alloy exhibited lower FCP rates, but had a slight steeper slope in the Paris region. Crack deflection and branching were found to be more remarkable in the casting aluminum alloy than that in the SiCp/Al composites, which may be contributed to higher FCP resistance in casting aluminum alloy.

  2. Methods for both coating a substrate with aluminum oxide and infusing the substrate with elemental aluminum

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jung-Pyung; Weil, Kenneth Scott

    2016-11-01

    Methods of aluminizing the surface of a metal substrate. The methods of the present invention do not require establishment of a vacuum or a reducing atmosphere, as is typically necessary. Accordingly, aluminization can occur in the presence of oxygen, which greatly simplifies and reduces processing costs by allowing deposition of the aluminum coating to be performed, for example, in air. Embodiments of the present invention can be characterized by applying a slurry that includes a binder and powder granules containing aluminum to the metal substrate surface. Then, in a combined step, a portion of the aluminum is diffused into the substrate and a portion of the aluminum is oxidized by heating the slurry to a temperature greater than the melting point of the aluminum in an oxygen-containing atmosphere.

  3. Pore structure and mechanical properties of directionally solidified porous aluminum alloys

    Directory of Open Access Journals (Sweden)

    Komissarchuk Olga

    2014-01-01

    Full Text Available Porous aluminum alloys produced by the metal-gas eutectic method or GASAR process need to be performed under a certain pressure of hydrogen, and to carry over melt to a tailor-made apparatus that ensures directional solidification. Hydrogen is driven out of the melt, and then the quasi-cylindrical pores normal to the solidification front are usually formed. In the research, the effects of processing parameters (saturation pressure, solidification pressure, temperature, and holding time on the pore structure and porosity of porous aluminum alloys were analyzed. The mechanical properties of Al-Mg alloys were studied by the compressive tests, and the advantages of the porous structure were indicated. By using the GASAR method, pure aluminum, Al-3wt.%Mg, Al-6wt.%Mg and Al-35wt.%Mg alloys with oriented pores have been successfully produced under processing conditions of varying gas pressure, and the relationship between the final pore structure and the solidification pressure, as well as the influences of Mg quantity on the pore size, porosity and mechanical properties of Al-Mg alloy were investigated. The results show that a higher pressure of solidification tends to yield smaller pores in aluminum and its alloys. In the case of Al-Mg alloys, it was proved that with the increasing of Mg amount, the mechanical properties of the alloys sharply deteriorate. However, since Al-3%Mg and Al-6wt.%Mg alloys are ductile metals, their porous samples have greater compressive strength than that of the dense samples due to the existence of pores. It gives the opportunity to use them in industry at the same conditions as dense alloys with savings in weight and material consumption.

  4. A direct experimental evidence for an aromatic C-H⋯O hydrogen bond by fluorescence-detected infrared spectroscopy

    Science.gov (United States)

    Venkatesan, V.; Fujii, A.; Ebata, T.; Mikami, N.

    2004-08-01

    Formation of a weak aromatic C-H⋯O hydrogen bond has been discerned both experimentally and computationally in the 1,2,4,5-tetrafluorobenzene (TFB)-water system. The intermolecular structure of the isolated TFB-water cluster in a supersonic jet was characterized using fluorescence-detected infrared spectroscopy. The formation of a weak hydrogen bond in the cluster was directly evidenced by a low-frequency shift and intensity enhancement of the hydrogen-bonded aromatic C-H stretch in the TFB moiety. This is the first direct observation of an aromatic C-H⋯O hydrogen bond in isolated gas phase clusters.

  5. Theoretical analysis of hydrogen spillover mechanism on carbon nanotubes

    Directory of Open Access Journals (Sweden)

    Rosalba eJuarez Mosqueda

    2015-02-01

    Full Text Available The spillover mechanism of molecular hydrogen on carbon nanotubes in the presence of catalytically active platinum clusters was critically and systematically investigated by using density-functional theory. Our simulation model includes a Pt4 cluster for the catalyst nanoparticle and curved and planar circumcoronene for two exemplary single-walled carbon nanotubes (CNT, the (10,10 CNT and one of large diameter, respectively. Our results show that the H2 molecule dissociates spontaneously on the Pt4 cluster. However, the dissociated H atoms have to overcome a barrier of more than 2 eV to migrate from the catalyst to the CNT, even if the Pt4 cluster is at full saturation with six adsorbed and dissociated hydrogen molecules. Previous investigations have shown that the mobility of hydrogen atoms on the CNT surface is hindered by a barrier. We find that instead the Pt4 catalyst may move along the outer surface of the CNT with activation energy of only 0.16 eV, and that this effect offers the possibility of full hydrogenation of the CNT. Thus, although we have not found a low-energy pathway to spillover onto the CNT, we suggest, based on our calculations and calculated data reported in the literature, that in the hydrogen-spillover process the observed saturation of the CNT at hydrogen background pressure occurs through mobile Pt nanoclusters, which move on the substrate more easily than the substrate-chemisorbed hydrogens, and deposit or reattach hydrogens in the process. Initial hydrogenation of the carbon substrate, however, is thermodynamically unfavoured, suggesting that defects should play a significant role.

  6. Determination of the Relative Atomic Masses of Metals by Liberation of Molecular Hydrogen

    Science.gov (United States)

    Waghorne, W. Earle; Rous, Andrew J.

    2009-01-01

    Students determine the relative atomic masses of calcium, magnesium, and aluminum by reaction with hydrochloric acid and measurement of the volume of hydrogen gas liberated. The experiment demonstrates stoichiometry and illustrates clearly that mass of the reagent is not the determinant of the amounts in chemical reactions. The experiment is…

  7. Evaluation of Aluminum in Iranian Consumed Tea

    Directory of Open Access Journals (Sweden)

    Alireza Asgari

    2008-01-01

    Full Text Available Introduction: Black tea leaf is one of the most important sources of Aluminum in dietary. Therefore this research was conducted to assess the amount of Aluminum in Iranian tea infusion. Methods: To assess Aluminum in Iranian consumed tea, 27 tea samples were analyzed for Al concentration for 10 and 60 min infusion, aluminum concentration was measured with atomic absorption and the results were analyzed by SPSS.13 version. Results: The results showed that minimum and maximum concentration of Al in tea infusion for 10 min infusion was 1.59 and 18.60 mg.L-1 respectively in this regard Baroti and Bamdad tea show the highest and lowest concentration respectively in term of Al, Also Statistical analysis with pair T-test showed that infusion time doesn,t significantly effects on aluminum leaching into infusion (P>0.05. Calculation of percentage "available" Al to the human system showed that 1 L of tea can provide 17.68 % of the daily dietary intake of Al, the percentage "available" for absorption in the intestine is only 8.49 % for overall mean Al concentration. Conclusion: Therefore based on our results, tea consumption in medium values cannot cause toxic effects on human. Although it is necessary to note that tea consumption might be toxic because of effects on people with absorption or secretion problems

  8. HIRFL–CSR internal cluster target

    International Nuclear Information System (INIS)

    Highlights: • An internal cluster target was built and installed at HIRFL–CSR. • The target thickness for H2 amounts up to 6.6 × 1012 atoms/cm2. • The feasibility and stability of the internal cluster target were verified by on-line experiments. -- Abstract: Since HIRFL–CSR internal cluster target was built, it has played a key role in in-ring experiments at HIRFL–CSR. So far it have been operated with five gas species as targets for scattering experiments, i.e. hydrogen, nitrogen, argon, neon, and krypton. The obtained highest thickness for hydrogen target amounts up to 1012 atoms/cm2, and those of other targets are larger than 1013 atoms/cm2 with the background pressure of 10−11 mbar in CSR. The target thickness can be varied by regulating the nozzle temperature and pressure of the inlet gas. The first online internal target experiment dedicated to investigate radioactive electron capture (REC) process with Xe54+ ions colliding with the nitrogen target demonstrated the stability and reliability of the internal target system. In addition, hydrogen and krypton were also tested online in recent experiments, which indicate the target system can meet experimental requirements for the thickness of target, pressure in scattering chamber, and long-term stability

  9. Why hydrogen; Pourquoi l'hydrogene?

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-02-01

    The energy consumption increase and the associated environmental risks, led to develop new energy sources. The authors present the potentialities of the hydrogen in this context of energy supply safety. They detail the today market and the perspectives, the energy sources for the hydrogen production (fossils, nuclear and renewable), the hydrogen transport, storage, distribution and conversion, the application domains, the associated risks. (A.L.B.)

  10. An investigation on the compressibility of aluminum/nano-alumina composite powder prepared by blending and mechanical milling

    Energy Technology Data Exchange (ETDEWEB)

    Razavi Hesabi, Z. [Department of Materials Science and Engineering, Sharif University of Technology, P.O. Box 11365-9466, Azadi Avenue, Tehran 14588 (Iran, Islamic Republic of); Hafizpour, H.R. [Department of Materials Science and Engineering, Sharif University of Technology, P.O. Box 11365-9466, Azadi Avenue, Tehran 14588 (Iran, Islamic Republic of); Simchi, A. [Department of Materials Science and Engineering, Sharif University of Technology, P.O. Box 11365-9466, Azadi Avenue, Tehran 14588 (Iran, Islamic Republic of); Institute for Nanoscience and Nanotechnology, Sharif University of Technology, P.O. Box 11365-9466, Azadi Avenue, Tehran 14588 (Iran, Islamic Republic of)], E-mail: simchi@sharif.edu

    2007-04-25

    The densification response of aluminum powder reinforced with 5 vol.% nanometric alumina particles (35 nm) during uniaxial compaction in a rigid die was studied. The composite powder was prepared by blending and mechanical milling procedures. To determine the effect of the reinforcement nanoparticles on the compressibility of aluminum powder, monolithic Al powder, i.e. without the addition of alumina, was also examined. It was shown that at the early stage of compaction when the rearrangement of particles is the dominant mechanism of the densification, disintegration of the nanoparticle clusters and agglomerates under the applied load contributes in the densification of the composite powder prepared by blending method. As the compaction pressure increases, however, the load partitioning effect of the nanoparticles decreases the densification rate of the powder mixture, resulting in a lower density compared to the monolithic aluminum. It was also shown that mechanical milling significantly impacts the compressibility of the unreinforced and reinforced aluminum powders. Morphological changes of the particles upon milling increase the contribution of particle rearrangement in densification whilst the plastic deformation mechanism is significantly retarded due to the work-hardening effect of the milling process. Meanwhile, the distribution of alumina nanoparticles is improved by mechanical milling, which in fact, affects the compressibility of the composite powder. This paper addresses the effect of mechanical milling and reinforcement nanoparticles on the compressibility of aluminum powder.

  11. Lithium-aluminum-magnesium electrode composition

    Science.gov (United States)

    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.

  12. Aluminum phosphate ceramics for waste storage

    Science.gov (United States)

    Wagh, Arun; Maloney, Martin D

    2014-06-03

    The present disclosure describes solid waste forms and methods of processing waste. In one particular implementation, the invention provides a method of processing waste that may be particularly suitable for processing hazardous waste. In this method, a waste component is combined with an aluminum oxide and an acidic phosphate component in a slurry. A molar ratio of aluminum to phosphorus in the slurry is greater than one. Water in the slurry may be evaporated while mixing the slurry at a temperature of about 140-200.degree. C. The mixed slurry may be allowed to cure into a solid waste form. This solid waste form includes an anhydrous aluminum phosphate with at least a residual portion of the waste component bound therein.

  13. NASA-427: A New Aluminum Alloy

    Science.gov (United States)

    Nabors, Sammy A.

    2015-01-01

    NASA's Marshall Space Flight Center researchers have developed a new, stronger aluminum alloy, ideal for cast aluminum products that have powder or paint-baked thermal coatings. With advanced mechanical properties, the NASA-427 alloy shows greater tensile strength and increased ductility, providing substantial improvement in impact toughness. In addition, this alloy improves the thermal coating process by decreasing the time required for heat treatment. With improvements in both strength and processing time, use of the alloy provides reduced materials and production costs, lower product weight, and better product performance. The superior properties of NASA-427 can benefit many industries, including automotive, where it is particularly well-suited for use in aluminum wheels.

  14. Pulmonary alveolar proteinosis and aluminum dust exposure

    Energy Technology Data Exchange (ETDEWEB)

    Miller, R.R.; Churg, A.M.; Hutcheon, M.; Lom, S.

    1984-08-01

    A 44-yr-old male presented shortness of breath, diffuse X-ray infiltrates, and physiologic evidence of a restrictive lung disease. Biopsy revealed pulmonary alveolar proteinosis. The patient had worked for the previous 6 yr as an aluminum rail grinder in a very dusty environment. Analysis of his lung tissue revealed greater than 300 X 10(6) particles of aluminum/g dry lung; all of the particles appeared as spheres of less than 1 mu diameter. We believe that this case represents an example of pulmonary alveolar proteinosis induced by inhalation of aluminum particles; this finding confirms animal studies which suggest that proteinosis can be produced by very large doses of many types of finely divided mineral dust.

  15. Dynamic recrystallization behavior of commercial pure aluminum

    Institute of Scientific and Technical Information of China (English)

    LI Hui-zhong; ZHANG Xin-ming; CHEN Ming-an; LIU Zi-juan

    2006-01-01

    The flow stress feature and microstructure evolvement of a commercial pure aluminum were investigated by compression on Gleeble-1500 dynamic materials test machine. Optical microscopy (OM) and transmission electron microscopy (TEM) were applied to analyze the deformation microstructure of the commercial pure aluminum.The results show that the flow stress tends to be constant after a peak value and the dynamic recovery occurs when the deformation temperatures is 220 ℃ with the strain rate of 0.01 s-1; while the dynamic recrystallization occurs when the deformation temperature is higher than 380 ℃, and the flow stress exhibits a single peak at 460 ℃ with different strain rates from 0.001 s-1 to 1 s-1, and continuous dynamic recrystallization and geometric dynamic recrystallization occur during the hot compression of the commercial pure aluminum.

  16. What Makes Clusters Decline?

    DEFF Research Database (Denmark)

    Østergaard, Christian Richter; Park, Eun Kyung

    2015-01-01

    Most studies on regional clusters focus on identifying factors and processes that make clusters grow. However, sometimes technologies and market conditions suddenly shift, and clusters decline. This paper analyses the process of decline of the wireless communication cluster in Denmark....... The longitudinal study on the high-tech cluster reveals that technological lock-in and exit of key firms have contributed to decline. Entrepreneurship has a positive effect on the cluster’s adaptive capabilities, while multinational companies have contradicting effects by bringing in new resources to the cluster...

  17. Air-Impregnated Nanoporous Anodic Aluminum Oxide Layers for Enhancing the Corrosion Resistance of Aluminum.

    Science.gov (United States)

    Jeong, Chanyoung; Lee, Junghoon; Sheppard, Keith; Choi, Chang-Hwan

    2015-10-13

    Nanoporous anodic aluminum oxide layers were fabricated on aluminum substrates with systematically varied pore diameters (20-80 nm) and oxide thicknesses (150-500 nm) by controlling the anodizing voltage and time and subsequent pore-widening process conditions. The porous nanostructures were then coated with a thin (only a couple of nanometers thick) Teflon film to make the surface hydrophobic and trap air in the pores. The corrosion resistance of the aluminum substrate was evaluated by a potentiodynamic polarization measurement in 3.5 wt % NaCl solution (saltwater). Results showed that the hydrophobic nanoporous anodic aluminum oxide layer significantly enhanced the corrosion resistance of the aluminum substrate compared to a hydrophilic oxide layer of the same nanostructures, to bare (nonanodized) aluminum with only a natural oxide layer on top, and to the latter coated with a thin Teflon film. The hydrophobic nanoporous anodic aluminum oxide layer with the largest pore diameter and the thickest oxide layer (i.e., the maximized air fraction) resulted in the best corrosion resistance with a corrosion inhibition efficiency of up to 99% for up to 7 days. The results demonstrate that the air impregnating the hydrophobic nanopores can effectively inhibit the penetration of corrosive media into the pores, leading to a significant improvement in corrosion resistance. PMID:26393523

  18. Air-Impregnated Nanoporous Anodic Aluminum Oxide Layers for Enhancing the Corrosion Resistance of Aluminum.

    Science.gov (United States)

    Jeong, Chanyoung; Lee, Junghoon; Sheppard, Keith; Choi, Chang-Hwan

    2015-10-13

    Nanoporous anodic aluminum oxide layers were fabricated on aluminum substrates with systematically varied pore diameters (20-80 nm) and oxide thicknesses (150-500 nm) by controlling the anodizing voltage and time and subsequent pore-widening process conditions. The porous nanostructures were then coated with a thin (only a couple of nanometers thick) Teflon film to make the surface hydrophobic and trap air in the pores. The corrosion resistance of the aluminum substrate was evaluated by a potentiodynamic polarization measurement in 3.5 wt % NaCl solution (saltwater). Results showed that the hydrophobic nanoporous anodic aluminum oxide layer significantly enhanced the corrosion resistance of the aluminum substrate compared to a hydrophilic oxide layer of the same nanostructures, to bare (nonanodized) aluminum with only a natural oxide layer on top, and to the latter coated with a thin Teflon film. The hydrophobic nanoporous anodic aluminum oxide layer with the largest pore diameter and the thickest oxide layer (i.e., the maximized air fraction) resulted in the best corrosion resistance with a corrosion inhibition efficiency of up to 99% for up to 7 days. The results demonstrate that the air impregnating the hydrophobic nanopores can effectively inhibit the penetration of corrosive media into the pores, leading to a significant improvement in corrosion resistance.

  19. Hydrogen energy systems studies

    Energy Technology Data Exchange (ETDEWEB)

    Ogden, J.M.; Kreutz, T.G.; Steinbugler, M. [Princeton Univ., NJ (United States)] [and others

    1996-10-01

    In this report the authors describe results from technical and economic assessments carried out during the past year with support from the USDOE Hydrogen R&D Program. (1) Assessment of technologies for small scale production of hydrogen from natural gas. Because of the cost and logistics of transporting and storing hydrogen, it may be preferable to produce hydrogen at the point of use from more readily available energy carriers such as natural gas or electricity. In this task the authors assess near term technologies for producing hydrogen from natural gas at small scale including steam reforming, partial oxidation and autothermal reforming. (2) Case study of developing a hydrogen vehicle refueling infrastructure in Southern California. Many analysts suggest that the first widespread use of hydrogen energy is likely to be in zero emission vehicles in Southern California. Several hundred thousand zero emission automobiles are projected for the Los Angeles Basin alone by 2010, if mandated levels are implemented. Assuming that hydrogen vehicles capture a significant fraction of this market, a large demand for hydrogen fuel could evolve over the next few decades. Refueling a large number of hydrogen vehicles poses significant challenges. In this task the authors assess near term options for producing and delivering gaseous hydrogen transportation fuel to users in Southern California including: (1) hydrogen produced from natural gas in a large, centralized steam reforming plant, and delivered to refueling stations via liquid hydrogen truck or small scale hydrogen gas pipeline, (2) hydrogen produced at the refueling station via small scale steam reforming of natural gas, (3) hydrogen produced via small scale electrolysis at the refueling station, and (4) hydrogen from low cost chemical industry sources (e.g. excess capacity in refineries which have recently upgraded their hydrogen production capacity, etc.).

  20. A study of the association between urinary aluminum concentration and pre-clinical findings among aluminum-handling and non-handling workers

    OpenAIRE

    OGAWA,Masanori; Kayama, Fujio

    2015-01-01

    Background Aluminum is considered to be a relatively safe metal for humans. However, there are some reports that aluminum can be toxic to humans and animals. In order to estimate the toxicity of aluminum with respect to humans, we measured the aluminum concentration in urine of aluminum-handling and non-handling workers and investigated the relationships between their urinary aluminum concentrations and pre-clinical findings. Methods Twenty-three healthy aluminum-handling workers and 10 healt...

  1. Interaction of catechins with aluminum in vitro

    Institute of Scientific and Technical Information of China (English)

    唐德松; 沈生荣; 陈勋; 张玉艳; 许重阳

    2004-01-01

    Tea is one of the most popular beverages, consumed by over two thirds of the world's population; but the aluminum accumulation property of tea plant is becoming the focus of many researches because of aluminum's known adverse effect on human health. Investigation of the interactions of catechins with Al3+ showed that during the interaction of catechins with Al3+, the UV-vis spectrum of catechins was changed. Absorption of EGCG at 274 nm decreased and increased at 322 nm; EC and C's at 278 nm changed little. The ratio of Al3+ to EGCG was 1:1 in pH 5.0 buffer solution; in pH 6.2 buffer solution, the ratio in the Al-EGCG complex was 1:1. Interestingly, while the ratio reached to over 2, after the complex of Al-EGCG started polymerization, the ratio in the polymer was 2:1. In pH 6.2 buffer solution, the complex behavior of C with Al3+ was the same as that of EGCG, with a little difference for EC. When the ratio of Al3+ to EC was 1. It was found that the ratio of Al3+ to EC in the polymer was 1:1. Polymerization of Al-catechin complexes might reduce aluminum absorption in the intestine. Kow value was also employed to study the properties of aluminum species in tea infusion (at gastric and intestine pH condition) and the effect of catechins and tea polyphenols on Kow in buffer solution. Results showed that Kow value rose much higher at the intestine pH than at the gastric pH. Tea polyphenols and catechins could greatly reduce aluminum Kow value in acetic buffer, indicating that these compounds may reduce aluminum absorption during tea intake.

  2. Interaction of catechins with aluminum in vitro

    Institute of Scientific and Technical Information of China (English)

    唐德松; 沈生荣; 陈勋; 张玉艳; 许重阳

    2004-01-01

    Tea is one of the most popular beverages, consumed by over two thirds of the world's population; but the aluminum accumulation property of tea plant is becoming the focus of many researches because of aluminum's known adverse effect on human health. Investigation of the interactions of catechins with A13+ showed that during the interaction of catechins with A13+, the UV-vis spectrum of catechins was changed. Absorption of EGCG at 274 nm decreased and increased at 322 nm; EC and C's at 278 nm changed little. The ratio of A13+ to EGCG was 1:1 in pH 5.0 buffer solution; in pH 6.2 buffer solution, the ratio in the A1-EGCG complex was 1:1. Interestingly, while the ratio reached to over 2, after the complex of A1-EGCG started polymerization, the ratio in the polymer was 2:1. In pH 6.2 buffer solution, the complex behavior of C with A13+ was the same as that of EGCG, with a little difference for EC. When the ratio of A13+ to EC was1. It was found that the ratio of A13+ to EC in the polymer was 1:1. Polymerization of A1-catechin complexes might reduce aluminum absorption in the intestine. Kow value was also employed to study the properties of aluminum species in tea infusion (at gastric and intestine pH condition) and the effect of catechins and tea polyphenols on Kow in buffer solution. Results showed that Kow value rose much higher at the intestine pH than at the gastric pH. Tea polyphenols and catechins could greatly reduce aluminum Kow value in acetic buffer,indicating that these compounds may reduce aluminum absorption during tea intake.

  3. Exfoliation Corrosion Behavior of 2B06 Aluminum Alloy in a Tropical Marine Atmosphere

    Science.gov (United States)

    Cui, Z. Y.; Li, X. G.; Xiao, K.; Dong, C. F.; Wang, L. W.; Zhang, D. W.; Liu, Z. Y.

    2015-01-01

    In this study, corrosion behavior of 2B06 aluminum alloy was investigated after exposure to a tropical marine atmosphere for up to 4 years. After 6 months, the specimen showed exfoliation corrosion as well as rapid increase in thickness loss and corrosion rate. Exfoliation corrosion was found to initiate from hydrogen-assisted intergranular cracks and propagate extensively due to the wedge effect of the corrosion products. During the exposure test, corrosion on the groundward surface was considerably more severe than that on the skyward surface, which could be attributed to the different exposure conditions on the two surfaces.

  4. Hydrogen bonded supramolecular structures

    CERN Document Server

    Li, Zhanting

    2015-01-01

    This book covers the advances in the studies of hydrogen-bonding-driven supramolecular systems  made over the past decade. It is divided into four parts, with the first introducing the basics of hydrogen bonding and important hydrogen bonding patterns in solution as well as in the solid state. The second part covers molecular recognition and supramolecular structures driven by hydrogen bonding. The third part introduces the formation of hollow and giant macrocycles directed by hydrogen bonding, while the last part summarizes hydrogen bonded supramolecular polymers. This book is designed to b

  5. Hydrogen in semiconductors

    CERN Document Server

    Pankove, Jacques I

    1991-01-01

    Hydrogen plays an important role in silicon technology, having a profound effect on a wide range of properties. Thus, the study of hydrogen in semiconductors has received much attention from an interdisciplinary assortment of researchers. This sixteen-chapter volume provides a comprehensive review of the field, including a discussion of hydrogenation methods, the use of hydrogen to passivate defects, the use of hydrogen to neutralize deep levels, shallow acceptors and shallow donors in silicon, vibrational spectroscopy, and hydrogen-induced defects in silicon. In addition to this detailed cove

  6. Hydrogen, this hallucinogen

    International Nuclear Information System (INIS)

    The author discusses the origin of hydrogen for energetic use (mainly by extraction from water), the possible uses of this cumbersome gas (in vehicles, in electricity storage), and outlines that hydrogen economy consumes a lot of other energies (nuclear, wind, sun, biomass, and so on) for a high cost, and that hydrogen is therefore not a solution for the future. Other elements are given in appendix: production methods and processes, figures of energy production, ways to use and to store hydrogen in vehicles, assessment of possibilities for a vehicle, techniques and figures for hydrogen packaging, transport and distribution, energy cost, energetic assessment of hydrogen production, problems associated with distribution (tank filling)

  7. A hydrogen ice cube

    OpenAIRE

    Schrauwers, A.

    2004-01-01

    Hydrogen is considered to be a highly promising energy carrier. Nonetheless, before hydrogen can become the fuel of choice for the future a number of slight problems will have to be overcome. For example, how can hydrogen be safely stored? Motor vehicles running on hydrogen may be clean in concept but where can we put the hydrogen? For many years now metal hydrides, which are compounds of metals and hydrogen, have been considered the perfect solution for this storage and safety problem but a ...

  8. Supported silver and copper clusters for photocatalysis

    Energy Technology Data Exchange (ETDEWEB)

    Popok, Vladimir; Barke, Ingo; Neubauer, Antje; Lochbrunner, Stefan; Meiwes-Broer, Karl-Heinz [Institut fuer Physik, Universitaet Rostock, Universitaetsplatz 3, 18051 Rostock (Germany)

    2011-07-01

    Nanometer-sized metal particles deposited onto surfaces are of significant interest for applications in catalysis. In the current study, nanoparticles of silver and copper in the size range from ca. 5 to 18 nm were formed using arc-discharge and magnetron sputtering cluster ion sources and deposited on silica glass substrates. The prepared cluster-assembled samples have been studied in order to increase the efficiency of existing catalytic schemes for hydrogen production, which is of high practical importance. In particular, Ir photosensitizers (PS) in combination with palladium, platinum or iron catalysts are known to be promising systems for reduction of aqueous protons to hydrogen. We deposited the PS on cluster-covered samples and studied their optical properties. It is found that in presence of metal clusters the ligand-centered optical transitions of the PS are significantly increased accompanied by a change of the photoluminescence. These findings indicate considerable effect of the metal nanoparticles on the electronic structure of the PS, a fact that might be of relevance for the improvement of photo-catalytic reactions.

  9. Effect of Electrolyte on the Dissolution of Aluminum from Acid Sois and the Distribution of Aluminum Forms in Soil Solution

    Institute of Scientific and Technical Information of China (English)

    XURENKOU; JIGUOLIANG

    1997-01-01

    KCl,CaCl2,NH4Cl,NaCl,K2SO4 and KF solutions were used for studying the effects of cations and anions on the dissolution of aluminum and the distribution of aluminum forms respectively.Power of exchanging and releasing aluminum of four kinds of cations was in the decreasing order Ca2+>K+>NH4+>Na+,The dissolution of aluminum increased with the cation concentration.The adsorption affinity of various soils fro aluminum was different.The aluminum in the soil with a stronger adsorption affinity was diffcult to be exchanged and released by cations.The Al-F complexes were main species of inorganic aluminum at a low concentration of cations,while Al3+ became major species of inorganic aluminum at a hiht concentration of cations .The results on the effct of anions indicated that the concentrations of total aluminum,three kinds of inorganc aluminum(Al3+,Al-F and Al-OH complexes) and organic aluminum complexes(Al-OM) when SO42- was added into soil suspension were lower than those when Cl- was added.The dissolution of aluminum from soils and the distribution of aluminum forms in solution were affected by the adsorption of F- on the soil.For soils with strong affinity for F-,the concentrations of the three inorganic aluminum species in soil solution after addition of F- were lower than those after addition of Cl-;but for soils with weak affinity for F-,the concentrations of Al3+ and Al-OM were lower and the concentrations of Al-F complexes and total inorganic aluminum after addition of F- were higher than those after addition of Cl- .The increase of F- concentration in soil solution accelerated the dissolution of aluminum from soils.

  10. Refined Aluminum Industry Suffers From Deficit and Western Investment Accelerates

    Institute of Scientific and Technical Information of China (English)

    2012-01-01

    <正>Under the backdrop of loss of the entire refined aluminum industry,the investment in electrolytic aluminum accelerates.The reporter learnt from a recent survey that,many companies including Shandong Xinfa Group,East Hope

  11. Low Mass, Aluminum NOFBX Combustion Chamber Development Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Our team proposes to define a diffusion bonding process for aluminum as an enabling step to ultimately develop an innovative, lightweight, long life, aluminum...

  12. Composite purification technology and mechanism of recycled aluminum alloys

    Institute of Scientific and Technical Information of China (English)

    房文斌; 耿耀宏; 安阁英; 叶荣茂

    2002-01-01

    Iron-rich inclusions in aluminum alloys can be effectively removed by composite purification of sedimentation and filtration technology.The results show that the purposed method has no negative effects on aluminum alloys and obviously improve their mechanical properties.

  13. Development of deep drawn aluminum piston tanks

    Energy Technology Data Exchange (ETDEWEB)

    Whitehead, J.C.; Bronder, R.L.; Kilgard, L.W.; Evans, M.C.; Ormsby, A.E.; Spears, H.R.; Wilson, J.D.

    1990-06-08

    An aluminum piston tank has been developed for applications requiring lightweight, low cost, low pressure, positive-expulsion liquid storage. The 3 liter (183 in{sup 3}) vessel is made primarily from aluminum sheet, using production forming and joining operations. The development process relied mainly on pressurizing prototype parts and assemblies to failure, as the primary source of decision making information for driving the tank design toward its optimum minimum-mass configuration. Critical issues addressed by development testing included piston operation, strength of thin-walled formed shells, alloy choice, and joining the end cap to the seamless deep drawn can. 9 refs., 8 figs.

  14. Aluminum plasmonic metamaterials for structural color printing.

    Science.gov (United States)

    Cheng, Fei; Gao, Jie; Stan, Liliana; Rosenmann, Daniel; Czaplewski, David; Yang, Xiaodong

    2015-06-01

    We report a structural color printing platform based on aluminum plasmonic metamaterials supporting near perfect light absorption and narrow-band spectral response tunable across the visible spectrum to realize high-resolution, angle-insensitive color printing with high color purity and saturation. Additionally, the fabricated metamaterials can be protected by a transparent polymer thin layer for ambient use with further improved color performance. The demonstrated structural color printing with aluminum plasmonic metamaterials offers great potential for relevant applications such as security marking and information storage.

  15. An ab initio design of cluster-assembled silicon nanotubes

    OpenAIRE

    Guo, Lingju; Zheng, Xiaohong; Liu, Chunsheng; Zeng, Zhi

    2010-01-01

    Density functional calculations were performed to systematically study a series of finite and infinite cluster-assembled silicon nanotubes (SiNTs). One-dimensional SiNTs can be prepared by proper assembly of hydrogenated cage-like silicon clusters to form semiconductors with a large band gap, and their electronic properties can be accurately tuned by transition metal doping in the center of the tubes. Specifically, doping with Fe made the SiNTs metallic and magnetic materials. More interestin...

  16. Theoretical research program to study transition metal trimers and embedded clusters

    Science.gov (United States)

    Walch, Stephen P.

    1987-01-01

    The results of ab-initio calculations are reported for (1) small transition metal clusters and (2) potential energy surfaces for chemical reactions important in hydrogen combustion and high temperature air chemistry.

  17. Macro deformation twins in single-crystal aluminum

    OpenAIRE

    Zhao, F.; Wang, L.; Fan, D.; B. X. Bie; Zhou, X. M.; Suo, T.; Y. L. Li; Chen, M. W.; Liu, C; Qi, M. L.; Zhu, M. H.; Luo, S. N.

    2015-01-01

    Deformation twinning in pure aluminum has been considered to be a unique property of nanostructured aluminum. A lingering mystery is whether deformation twinning occurs in coarse-grained or single-crystal aluminum, at scales beyond nanotwins. Here, we present the first experimental demonstration of macro deformation twins in single-crystal aluminum formed under ultrahigh strain-rate ($\\sim$10$^6$ s$^{-1}$), large shear strain (200$\\%$) via dynamic equal channel angular pressing. Deformation t...

  18. Sunshine Group Builds High-End Aluminum Product Industrial Base

    Institute of Scientific and Technical Information of China (English)

    2015-01-01

    In order to propel development of the aluminum industry to move toward featured,specialized,and ecological directions,Sunlight Sanyuan Aluminum Company plans to expropriate 300 mu of land in Hanjiang District of Putian City,Fujian province,where it plans to construct high-end aluminum product industrial park,introduce the world’s most advanced fully automatic production equipment and technologies for aluminum profile and

  19. Corrosion behavior of aluminum exposed to a biodiesel

    Energy Technology Data Exchange (ETDEWEB)

    Diaz-Ballote, L.; Maldonado-Lopez, L. [Departamento de Fisica Aplicada, CINVESTAV-IPN, Merida Yucatan, 97310 (Mexico); Lopez-Sansores, J.F. [Facultad de Quimica, UADY, Merida Yucatan, 97310 (Mexico); Garfias-Mesias, L.F. [Corrosion and Materials Technology Laboratory, DNV/CCT, Dublin, Ohio, 43017 (United States)

    2009-01-15

    Aluminum was exposed to biodiesel with different levels of contaminants and impurities, and its corrosion behavior was evaluated by conventional electrochemical techniques. It was found that the corrosion behavior of aluminum in biodiesel contaminated with alkalis is similar to the corrosion behavior of aluminum in aqueous solutions. In addition, it was demonstrated that corrosion of aluminum can be used as a quantitative indication of the biodiesel purity. (author)

  20. Aluminum base alloy powder metallurgy process and product

    Science.gov (United States)

    Paris, Henry G. (Inventor)

    1986-01-01

    A metallurgical method including cooling molten aluminum particles and consolidating resulting solidified particles into a multiparticle body, wherein the improvement comprises the provision of greater than 0.15% of a metal which diffuses in the aluminum solid state at a rate less than that of Mn. Aluminum containing greater than 0.15% of a metal which diffuses in the aluminum solid state at a rate less than that of Mn.

  1. Insights on Clusters Formation Mechanism by Time of Flight Mass Spectrometry. 2. The Case of Acetone-Water Clusters

    Science.gov (United States)

    Apicella, B.; Li, X.; Passaro, M.; Russo, C.

    2016-11-01

    This paper is the second of a series dealing with clusters formation mechanism. In part 1, water clusters with the addition of an electrophilic molecule such as ethanol were studied by Time Of Flight Mass Spectrometry (TOFMS). Mass distributions of molecular clusters of ethanol, water and ethanol-water mixed clusters, were obtained by means of two different ionization methods: Electron Ionization (EI) and picosecond laser Photo-Ionization (PI) at a wavelength of 355 nm. In part 2, the same experimental approach was employed to obtain mass spectra of clusters generated by acetone-water binary mixtures with a different composition. Strong dependence of the mass spectra of clusters with EI and PI on the acetone-water mixing ratio was observed. It was shown that the spectral pattern changes gradually and water-rich cluster signals become fainter while acetone-rich cluster signals become more intensive with increasing acetone concentrations from 0.3% to 40%. Owing to the hydrogen bond acceptor character of acetone, its self-association is discouraged with respect to ethanol. The autocorrelation function (AF) was used to analyze the variation of the water clusters composition with the increase of the acetone concentration in terms of fundamental periodicities. However, although acetone and ethanol present a very different hydrogen-bonding ability, similarly to ethanol-water system, in acetone-water system the formation of water-rich clusters and subsequent metastable fragmentation are the dominant process that determine the clusters distribution, irrespective of the ionization process, while the ionization process significantly affects the acetone-rich clusters distribution.

  2. Star clusters and associations

    International Nuclear Information System (INIS)

    All 33 papers presented at the symposium were inputted to INIS. They dealt with open clusters, globular clusters, stellar associations and moving groups, and local kinematics and galactic structures. (E.S.)

  3. Breakup of molten aluminum drops

    International Nuclear Information System (INIS)

    To clarify the entrapment of water and the breakup mechanism in molten Al drops, a series of experiments was carried out by pouring molten Al of 10 to 20 g (up to 1,000degC) into a highly subcooled-water pool (room temperature) through the air. A single large-scale water jet, which is capable of penetrating a molten Al drop, was found to appear above the molten Al drop immediately after an air column which the molten drop is dragging from the water surface, is detached. It was observed with a high frequency that a molten Al drop begins swelling first, and is then broken up during falling through the water pool or after hitting the basement. It was also found that the breakup always occurs in the course of solid crust formation, and the molten drop solidified without breakup forms a large cavity inside. Based on the experimental observations, it is concluded that the swelling and the breakup of a molten Al drop should be caused by the water entrapped inside and the hydrogen remaining super-saturated. It is reasonable to consider that an intensive breakup should be caused when some quantity of water is injected into a molten Al drop with a capability that a high-pressure vapor is generated due to a rapid release of latent heat just after brittle cracks occur during swelling. (author)

  4. Multi-model soft sensor for hydrogen purity in catalytic reforming process based on improved fast search clustering algorithm and Gaussian processes regression%基于改进的快速搜索聚类算法和高斯过程回归的催化重整脱氯前氢气纯度多模型建模方法

    Institute of Scientific and Technical Information of China (English)

    双翼帆; 顾幸生

    2016-01-01

    氢气是催化重整反应的重要副产物之一,建立氢气纯度软测量模型有助于指导生产。针对催化重整过程工况复杂多变、单一软测量模型难以满足精度要求,提出了一种基于改进的快速搜索聚类算法和高斯过程回归的多模型软测量建模方法。首先,针对快速搜索聚类算法中截断距离是由人为设定的问题,提出了一种截断距离确定方法。并用该改进算法对历史数据进行自动分类,建立各个数据子集的高斯过程回归模型,使各子模型在最大程度上反映不同工况点。然后,针对聚类后得到的带有类别标签的历史数据,建立类别辨识模型,与各子模型相结合,形成开关模式的组合模型。最后,将该建模方法应用于连续催化重整装置,建立了脱氯前氢气纯度的在线计算模型。结果表明,该多模型建模方法具有较高的预测精度,优于传统的单一模型,有一定的实用价值。%Hydrogen is one of the most important by-products in catalytic reforming process, a hydrogen purity soft sensor will contribute to guiding production. However, the working condition of catalytic reforming process is complex and changeable, a single model soft sensor is hard to ensure the prediction accuracy. Aiming at this problem, this paper present a combined soft sensor model based on modified fast search clustering algorithm and Gaussian processes regression (GPR). The history sample are classified by the novel clustering algorithm and then each sub-model is built through GPR with the classified sub sample. Meanwhile the class identification model has been built by GPR as well. Finally, the combined model soft sensor is established in a switcher form. The combined is applied to a catalytic reformer and the result indicates that the proposed method has a good result and has certain practical value.

  5. Interaction of Boron Clusters with Oxygen: a DFT Study

    Science.gov (United States)

    Salavitabar, Kamron; Boggavarapu, Kiran; Kandalam, Anil

    A controlled combustion involving aluminum nanoparticles has often been the focus of studies in the field of solid fuel propellants. However very little focus has been given to the study of boron nanoparticles in controlled combustion. In contrast to aluminum nanoclusters, boron nanoclusters (Bn) are known to exhibit a planar geometries even at the size of n = 19 - 20, and thus offer a greater surface area for interaction with oxygen. Earlier experimental studies have shown that boron nanoclusters exhibit different reactivity with oxygen depending on their size and charge. In this poster, we present our recent density functional theory based results, focusing on the reactivity patterns of neutral and negatively charged B5 cluster with On, where n = 1 - 5; and B6 cluster with On (n = 1 - 2). The effect of charge on the reactivity of boron cluster, variation in the stability of product clusters, i e., neutral and negatively charged B5On (n = 1 - 5) and B6On (n = 1 - 2) are also examined. Financial Support from West Chester University Foundation under FaStR grant is acknowledged.

  6. Dynamics of hydrogen in hydrogenated amorphous silicon

    Indian Academy of Sciences (India)

    Ranber Singh; S Prakash

    2003-07-01

    The problem of hydrogen diffusion in hydrogenated amorphous silicon (a-Si:H) is studied semiclassically. It is found that the local hydrogen concentration fluctuations-induced extra potential wells, if intense enough, lead to the localized electronic states in a-Si:H. These localized states are metastable. The trapping of electrons and holes in these states leads to the electrical degradation of the material. These states also act as recombination centers for photo-generated carriers (electrons and holes) which in turn may excite a hydrogen atom from a nearby Si–H bond and breaks the weak (strained) Si–Si bond thereby apparently enhancing the hydrogen diffusion and increasing the light-induced dangling bonds.

  7. New Tax Rebate Policy Favorable to Aluminum Processing Industry

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    <正>China has made the decision to increase export tax rebate rate for part of the non-ferrous products from April 1, 2009, among which the export tax rebate for aluminum alloy hollow profiles and other aluminum alloy profiles goes up to 13%. The new policy is a piece of good news for aluminum processing

  8. Shanxi Will Build Aluminum Deep Processing Industrial Park

    Institute of Scientific and Technical Information of China (English)

    2015-01-01

    As a province with high coal output,Shanx boasts rich electrolytic aluminum resources.On January 7,the reporter learned from the Provincial Commission of Economy and Information Technology that in order to continually expand the size of aluminum industry,extend aluminum industrial chain,so

  9. Status Quo of China’s Aluminum Sheet & Strip Industry

    Institute of Scientific and Technical Information of China (English)

    2013-01-01

    <正>Aluminum sheet & strip products are one of the major product varieties in the aluminum processing industry, they also provide indis-pensable basic materials for the development of national economy. In recent years, driven by rapid economic growth, China’s investment in aluminum sheet & strip industry continued to

  10. 2009 China’s Aluminum Fabrication Industrial Development Report

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    <正>1 Overview of Aluminum Fabrication Industry Despite the impact of 2008’s financial crisis on China’s aluminum fabrication industry, China’s output of aluminum products remained the world’s largest in 2009, against overall steady

  11. 21 CFR 182.2122 - Aluminum calcium silicate.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Aluminum calcium silicate. 182.2122 Section 182.2122 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED....2122 Aluminum calcium silicate. (a) Product. Aluminum calcium silicate. (b) Tolerance. 2 percent....

  12. 21 CFR 582.2122 - Aluminum calcium silicate.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Aluminum calcium silicate. 582.2122 Section 582.2122 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED....2122 Aluminum calcium silicate. (a) Product. Aluminum calcium silicate. (b) Tolerance. 2 percent....

  13. 21 CFR 73.1015 - Chromium-cobalt-aluminum oxide.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 1 2010-04-01 2010-04-01 false Chromium-cobalt-aluminum oxide. 73.1015 Section 73... LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION Drugs § 73.1015 Chromium-cobalt-aluminum oxide. (a) Identity. The color additive chromium-cobalt-aluminum oxide is a blue-green pigment obtained by calcining...

  14. [Science and Technology and Recycling: Instructional Materials on Aluminum.

    Science.gov (United States)

    Aluminum Association, New York, NY.

    Educational materials on the manufacture and use of aluminum are assembled in this multi-media unit for use by junior high and secondary school students. Student booklets and brochures include: "The Story of Aluminum,""Uses of Aluminum,""Independent Study Guide for School Research Projects,""Questions and Answers About Litter, Solid Waste, and…

  15. 21 CFR 582.1131 - Aluminum sodium sulfate.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Aluminum sodium sulfate. 582.1131 Section 582.1131 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1131 Aluminum sodium sulfate. (a) Product. Aluminum sodium sulfate. (b) Conditions of...

  16. 21 CFR 182.1131 - Aluminum sodium sulfate.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Aluminum sodium sulfate. 182.1131 Section 182.1131 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD... Substances § 182.1131 Aluminum sodium sulfate. (a) Product. Aluminum sodium sulfate. (b) Conditions of...

  17. 21 CFR 582.1781 - Sodium aluminum phosphate.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Sodium aluminum phosphate. 582.1781 Section 582.1781 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Additives § 582.1781 Sodium aluminum phosphate. (a) Product. Sodium aluminum phosphate. (b) Conditions...

  18. 21 CFR 182.1781 - Sodium aluminum phosphate.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Sodium aluminum phosphate. 182.1781 Section 182.1781 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Food Substances § 182.1781 Sodium aluminum phosphate. (a) Product. Sodium aluminum phosphate....

  19. Shanxi Zhaofeng Aluminum Industry is Planning Oversea Listing

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    <正>Shanxi Yangquan Coal Industry(Group)Co., Ltd.intends to promote its subsidiary company Shanxi Zhaofeng Aluminum Metallurgy Co Ltd (hereinafter referred to as Zhaofeng Aluminum Metallurgy)to seek oversea listing.If its effort succeeds,Zhaofeng Aluminum Metallurgy will become the third public listed company under Yangquan Group.

  20. Solubility of hydrogen in metals and its effect of pore-formation and embrittlement. Ph.D. Thesis

    Science.gov (United States)

    Shahani, H. R.

    1984-01-01

    The effect of alloying elements on hydrogen solubility were determined by evaluating solubility equations and interaction coefficients. The solubility of dry hydrogen at one atmosphere was investigated in liquid aluminum, Al-Ti, Al-Si, Al-Fe, liquid gold, Au-Cu, and Au-Pd. The design of rapid heating and high pressure casting furnaces used in meta foam experiments is discussed as well as the mechanism of precipitation of pores in melts, and the effect of hydrogen on the shrinkage porosity of Al-Cu and Al-Si alloys. Hydrogen embrittlement in iron base alloys is also examined.

  1. Handbook of hydrogen energy

    CERN Document Server

    Sherif, SA; Stefanakos, EK; Steinfeld, Aldo

    2014-01-01

    ""This book provides an excellent overview of the hydrogen economy and a thorough and comprehensive presentation of hydrogen production and storage methods.""-Scott E. Grasman, Rochester Institute of Technology, New York, USA

  2. Hydrogen production by Cyanobacteria

    Directory of Open Access Journals (Sweden)

    Chaudhuri Surabhi

    2005-12-01

    Full Text Available Abstract The limited fossil fuel prompts the prospecting of various unconventional energy sources to take over the traditional fossil fuel energy source. In this respect the use of hydrogen gas is an attractive alternate source. Attributed by its numerous advantages including those of environmentally clean, efficiency and renew ability, hydrogen gas is considered to be one of the most desired alternate. Cyanobacteria are highly promising microorganism for hydrogen production. In comparison to the traditional ways of hydrogen production (chemical, photoelectrical, Cyanobacterial hydrogen production is commercially viable. This review highlights the basic biology of cynobacterial hydrogen production, strains involved, large-scale hydrogen production and its future prospects. While integrating the existing knowledge and technology, much future improvement and progress is to be done before hydrogen is accepted as a commercial primary energy source.

  3. On hydrogen energy strategies

    International Nuclear Information System (INIS)

    This article focuses on hydrogen energy strategies. Possible problems regarding world stability, progress of hydrogen energy, possible strategies for hydrogen, and essential factors for hydrogen energy technologies are investigated and discussed in detail. Technical, environmental, sustainability and other perspectives are taken into consideration. The importance of hydrogen energy in reducing world problems and achieving a sustainable energy system is also investigated. It is seen that hydrogen energy can play an important role in reducing global problems and improving the sustainability of energy systems. Accordingly, hydrogen strategies based non-fossil energy sources should be developed to reduce world problems and unrest and to increase the level of sustainable development. It is expected that this article will contribute to the development of hydrogen energy strategies that is alternative to fossil-based strategies. (author)

  4. Quantum Annealing for Clustering

    OpenAIRE

    Kurihara, Kenichi; Tanaka, Shu; Miyashita, Seiji

    2014-01-01

    This paper studies quantum annealing (QA) for clustering, which can be seen as an extension of simulated annealing (SA). We derive a QA algorithm for clustering and propose an annealing schedule, which is crucial in practice. Experiments show the proposed QA algorithm finds better clustering assignments than SA. Furthermore, QA is as easy as SA to implement.

  5. Emergence of regional clusters

    DEFF Research Database (Denmark)

    Dahl, Michael S.; Østergaard, Christian Richter; Dalum, Bent

    2010-01-01

    approach to analyse how successful early firms can lead to formation of clusters. Three key determinants are identified: (1) the geographical dimension of entrepreneurial activity, (2) spinoffs from successful firms and (3) new market opportunities. The chapter studies in great detail the evolution...... of the wireless communications cluster in Northern Denmark and compare it with the evolution of other clusters....

  6. The Durban Auto Cluster

    DEFF Research Database (Denmark)

    Lorentzen, Jochen; Robbins, Glen; Barnes, Justin

    2004-01-01

    The paper describes the formation of the Durban Auto Cluster in the context of trade liberalization. It argues that the improvement of operational competitiveness of firms in the cluster is prominently due to joint action. It tests this proposition by comparing the gains from cluster activities i...

  7. Cluster Physics with Merging Galaxy Clusters

    Directory of Open Access Journals (Sweden)

    Sandor M. Molnar

    2016-02-01

    Full Text Available Collisions between galaxy clusters provide a unique opportunity to study matter in a parameter space which cannot be explored in our laboratories on Earth. In the standard LCDM model, where the total density is dominated by the cosmological constant ($Lambda$ and the matter density by cold dark matter (CDM, structure formation is hierarchical, and clusters grow mostly by merging.Mergers of two massive clusters are the most energetic events in the universe after the Big Bang,hence they provide a unique laboratory to study cluster physics.The two main mass components in clusters behave differently during collisions:the dark matter is nearly collisionless, responding only to gravity, while the gas is subject to pressure forces and dissipation, and shocks and turbulenceare developed during collisions. In the present contribution we review the different methods used to derive the physical properties of merging clusters. Different physical processes leave their signatures on different wavelengths, thusour review is based on a multifrequency analysis. In principle, the best way to analyze multifrequency observations of merging clustersis to model them using N-body/HYDRO numerical simulations. We discuss the results of such detailed analyses.New high spatial and spectral resolution ground and space based telescopeswill come online in the near future. Motivated by these new opportunities,we briefly discuss methods which will be feasible in the near future in studying merging clusters.

  8. The annealing behavior of hydrogen implanted into Al-Si alloy

    Energy Technology Data Exchange (ETDEWEB)

    Ogura, Masahiko; Yamaji, Norisuke; Imai, Makoto; Itoh, Akio; Imanishi, Nobutsugu [Kyoto Univ. (Japan). Faculty of Engineering

    1997-03-01

    We have studied effects of not only defects but also an added elements on trap-sites of hydrogen in metals. For the purpose, we observed depth profiles and thermal behaviors of hydrogen implanted into Al-1.5at.%Si alloy samples in an implantation-temperature range of liquid nitrogen temperature (LNT) to 373K at different doses. The results were compared with those for pure aluminum samples. It was found that hydrogen is trapped as molecules in grain boundaries of Al/Si. (author)

  9. Nuclear electrolytic hydrogen

    International Nuclear Information System (INIS)

    An extensive study of hydrogen supply has recently been carried out by Ontario Hydro which indicates that electrolytic hydrogen produced from nuclear electricity could offer the lowest cost option for any future large scale hydrogen supply in the Province of Ontario, Canada. This paper provides a synopsis of the Ontario Hydro study, a brief overview of the economic factors supporting the study conclusion and discussion of a number of issues concerning the supply of electrolytic hydrogen by electric power utilities

  10. Hydrogen Technologies Safety Guide

    Energy Technology Data Exchange (ETDEWEB)

    Rivkin, C. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Burgess, R. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Buttner, W. [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2015-01-01

    The purpose of this guide is to provide basic background information on hydrogen technologies. It is intended to provide project developers, code officials, and other interested parties the background information to be able to put hydrogen safety in context. For example, code officials reviewing permit applications for hydrogen projects will get an understanding of the industrial history of hydrogen, basic safety concerns, and safety requirements.

  11. Cluster beam sources. Part 1. Methods of cluster beams generation

    Directory of Open Access Journals (Sweden)

    A.Ju. Karpenko

    2012-10-01

    Full Text Available The short review on cluster beams generation is proposed. The basic types of cluster sources are considered and the processes leading to cluster formation are analyzed. The parameters, that affects the work of cluster sources are presented.

  12. Loften Aluminum Aluminum Foil Output to Reach 120,000 Tons in 2012

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    <正>Loften Aluminum Co., Ltd. was founded in 2000 Boxing County, Shandong Province. On 31 March 2010, Loften became an A-share listed company, creating favorable conditions for raising funds to expand its operations.

  13. A comparison of interatomic potentials for modeling tungsten-hydrogen-helium plasma-surface interactions

    Science.gov (United States)

    Cusentino, Mary Alice; Hammond, Karl D.; Sefta, Faiza; Juslin, Niklas; Wirth, Brian D.

    2015-08-01

    We compare the hydrogen and helium clustering characteristics of three interatomic potential energy models intended for simulation of plasma-facing materials for fusion applications. Our simulations compare a Finnis-Sinclair potential and two different Tersoff-style bond order potentials created by Juslin et al. (2005) and Li et al. (2011), respectively, with respect to both helium and hydrogen clustering behavior in tungsten. We find significant differences between the Juslin and Li potentials in terms of both hydrogen and helium clustering behavior as well as the spatial distribution of hydrogen below the surface. These simulations are an important test on the road to more accurate models of gas clustering and surface evolution of tungsten divertors in ITER and other plasma devices.

  14. Modification of Metal Complex on the Stereoselective Hydrogenation of 2,3-Butanedione

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The modification of some metal complexes on Pt/Al2O3 clusters leads to remarkable increases in both the activity and the selectivity for meso-2,3-butanediol in the stereoselective hydrogenation of 2,3-butanedione.

  15. High temperature tribological behaviour of carbon based (B{sub 4}C and DLC) coatings in sliding contact with aluminum

    Energy Technology Data Exchange (ETDEWEB)

    Gharam, A. Abou, E-mail: abougha@uwindsor.c [Mechanical Automotive and Materials Engineering Department, University of Windsor, Windsor, ON, N9B3P4 (Canada); Lukitsch, M.J.; Balogh, M.P. [Chemical Sciences and Materials Systems Laboratory, General Motors R and D Center, 30500 Mound Road, Warren, MI 48090-9055 (United States); Alpas, A.T. [Mechanical Automotive and Materials Engineering Department, University of Windsor, Windsor, ON, N9B3P4 (Canada)

    2010-12-30

    Carbon based coatings, particularly diamond-like carbon (DLC) films are known to resist aluminum adhesion and reduce friction at room temperature. This attractive tribological behaviour is useful for applications such as tool coatings used for aluminum forming and machining. However, for those operations that are performed at elevated temperatures (e.g. hot forming) or that generate frictional heat during contact (e.g. dry machining) the suitable coatings are required to maintain their tribological properties at high temperatures. Candidates for these demanding applications include boron carbide (B{sub 4}C) and DLC coatings. An understanding of the mechanisms of friction, wear and adhesion of carbon based coatings against aluminum alloys at high temperatures will help in designing coatings with improved high temperature tribological properties. With this goal in mind, this study focused on B{sub 4}C and a hydrogenated DLC coatings sliding against a 319 grade cast aluminum alloy by performing pin-on-disk experiments at temperatures up to 400 {sup o}C. Experimental results have shown that the 319 Al/B{sub 4}C tribosystem generated coefficient of friction (COF) values ranging between 0.42 and 0.65, in this temperature range. However, increased amounts of aluminum adhesion were detected in the B{sub 4}C wear tracks at elevated temperatures. Focused ion beam (FIB) milled cross sections of the wear tracks revealed that the coating failed due to shearing along the columnar grain boundaries of the coating. The 319 Al/DLC tribosystem maintained a low COF (0.15-0.06) from room temperature up to 200 {sup o}C. This was followed by an abrupt increase to 0.6 at 400 {sup o}C. The deterioration of friction behaviour at T > 200 {sup o}C was attributed to the exhaustion of hydrogen and hydroxyl passivants on the carbon transfer layer formed on the Al pin.

  16. High temperature tribological behaviour of carbon based (B4C and DLC) coatings in sliding contact with aluminum

    International Nuclear Information System (INIS)

    Carbon based coatings, particularly diamond-like carbon (DLC) films are known to resist aluminum adhesion and reduce friction at room temperature. This attractive tribological behaviour is useful for applications such as tool coatings used for aluminum forming and machining. However, for those operations that are performed at elevated temperatures (e.g. hot forming) or that generate frictional heat during contact (e.g. dry machining) the suitable coatings are required to maintain their tribological properties at high temperatures. Candidates for these demanding applications include boron carbide (B4C) and DLC coatings. An understanding of the mechanisms of friction, wear and adhesion of carbon based coatings against aluminum alloys at high temperatures will help in designing coatings with improved high temperature tribological properties. With this goal in mind, this study focused on B4C and a hydrogenated DLC coatings sliding against a 319 grade cast aluminum alloy by performing pin-on-disk experiments at temperatures up to 400 oC. Experimental results have shown that the 319 Al/B4C tribosystem generated coefficient of friction (COF) values ranging between 0.42 and 0.65, in this temperature range. However, increased amounts of aluminum adhesion were detected in the B4C wear tracks at elevated temperatures. Focused ion beam (FIB) milled cross sections of the wear tracks revealed that the coating failed due to shearing along the columnar grain boundaries of the coating. The 319 Al/DLC tribosystem maintained a low COF (0.15-0.06) from room temperature up to 200 oC. This was followed by an abrupt increase to 0.6 at 400 oC. The deterioration of friction behaviour at T > 200 oC was attributed to the exhaustion of hydrogen and hydroxyl passivants on the carbon transfer layer formed on the Al pin.

  17. Inelastic Deformation Analysis of Aluminum Bending Members

    Institute of Scientific and Technical Information of China (English)

    CHENG Ming; SHI Yongjiu; WANG Yuanqing

    2006-01-01

    Aluminum alloys are typical nonlinear materials, and consequently bending members made of this material exhibit a nonlinear behavior. Most design codes do not pay much attention to such deformations and adopt a simple linear analysis for the calculation of deflections. This paper presents an investigation of the nonlinear deformation of aluminum bending members using the finite-element analysis (FEA). The plastic adaptation coefficient, which can be used to limit the residual deflection, is introduced, and the influence of residual deflection is investigated. A method for evaluating the plastic adoption coefficient is proposed. This paper also shows the load-deflection curve of aluminum bending members and the influence of several parameters. A semi-empirical formula is derived, and some numerical examples are given by FEA. The coefficients of the semi-empirical formula are modified by the FEA results using the nonlinear fitting method. Based on these results, two improved design methods for strength and deformation of aluminum bending members are proposed. Through the comparison with test data, these methods are proved to be suitable for structural design.

  18. Molybdate Coatings for Protecting Aluminum Against Corrosion

    Science.gov (United States)

    Calle, Luz Marina; MacDowell, Louis G.

    2005-01-01

    Conversion coatings that comprise mixtures of molybdates and several additives have been subjected to a variety of tests to evaluate their effectiveness in protecting aluminum and alloys of aluminum against corrosion. Molybdate conversion coatings are under consideration as replacements for chromate conversion coatings, which have been used for more than 70 years. The chromate coatings are highly effective in protecting aluminum and its alloys against corrosion but are also toxic and carcinogenic. Hexavalent molybdenum and, hence, molybdates containing hexavalent molybdenum, have received attention recently as replacements for chromates because molybdates mimic chromates in a variety of applications but exhibit significantly lower toxicity. The tests were performed on six proprietary formulations of molybdate conversion coatings, denoted formulations A through F, on panels of aluminum alloy 2024-T3. A bare alloy panel was also included in the tests. The tests included electrochemical impedance spectroscopy (EIS), measurements of corrosion potentials, scanning electron microscopy (SEM) with energy-dispersive spectroscopy (EDS), and x-ray photoelectron spectroscopy (XPS).

  19. 75 FR 80527 - Aluminum Extrusions From China

    Science.gov (United States)

    2010-12-22

    ... Republic of China: Postponement of Final Determination of Sales at Less Than Fair Value, 75 FR 73041... Sales at Less Than Fair Value, and Preliminary Determination of Targeted Dumping, 75 FR 69403, November... Affirmative Countervailing Duty Determination, 75 FR 54302, September 7, 2010, and Aluminum Extrusions...

  20. A successful management of aluminum phosphide intoxication

    OpenAIRE

    Moazezi, Zoleika; Abedi, Seyed Hassan

    2011-01-01

    Background: Aluminum Phosphide or rice tablet is one of the most common pesticides which leads to accidental or intentional acute intoxication and finally death. In this paper, we describe a successful management of intoxication with rice tablet in a young girl.