WorldWideScience

Sample records for supersonic metal cluster

  1. Supersonic bare metal cluster beams

    International Nuclear Information System (INIS)

    Smalley, R.E.

    1991-01-01

    Progress continued this past year on two principal fronts in the study of bare metal clusters: photoelectron spectroscopy of mass selected negative ions, and surface chemisorption of cluster ions levitated in a superconducting magnet as monitored by fourier transform ion cyclotron resonance

  2. Supersonic copper clusters

    International Nuclear Information System (INIS)

    Powers, D.E.; Hansen, S.G.; Geusic, M.E.; Michalopoulos, D.L.; Smalley, R.E.

    1983-01-01

    Copper clusters ranging in size from 1 to 29 atoms have been prepared in a supersonic beam by laser vaporization of a rotating copper target rod within the throat of a pulsed supersonic nozzle using helium for the carrier gas. The clusters were cooled extensively in the supersonic expansion [T(translational) 1 to 4 K, T(rotational) = 4 K, T(vibrational) = 20 to 70 K]. These clusters were detected in the supersonic beam by laser photoionization with time-of-flight mass analysis. Using a number of fixed frequency outputs of an exciplex laser, the threshold behavior of the photoionization cross section was monitored as a function of cluster size.nce two-photon ionization (R2PI) with mass selective detection allowed the detection of five new electronic band systems in the region between 2690 and 3200 A, for each of the three naturally occurring isotopic forms of Cu 2 . In the process of scanning the R2PI spectrum of these new electronic states, the ionization potential of the copper dimer was determined to be 7.894 +- 0.015 eV

  3. Tribological coatings for complex mechanical elements produced by supersonic cluster beam deposition of metal dichalcogenide nanoparticles

    Science.gov (United States)

    Piazzoni, C.; Buttery, M.; Hampson, M. R.; Roberts, E. W.; Ducati, C.; Lenardi, C.; Cavaliere, F.; Piseri, P.; Milani, P.

    2015-07-01

    Fullerene-like MoS2 and WS2 nanoparticles can be used as building blocks for the fabrication of fluid and solid lubricants. Metal dichalcogenide films have a very low friction coefficient in vacuum, therefore they have mostly been used as solid lubricants in space and vacuum applications. Unfortunately, their use is significantly hampered by the fact that in the presence of humidity, oxygen and moisture, the low-friction properties of these materials rapidly degrade due to oxidation. The use of closed-cage MoS2 and WS2 nanoparticles may eliminate this problem, although the fabrication of lubricant thin films starting from dichalcogenide nanoparticles is, to date, a difficult task. Here we demonstrate the use of supersonic cluster beam deposition for the coating of complex mechanical elements (angular contact ball bearings) with nanostructured MoS2 and WS2 thin films. We report structural and tribological characterization of the coatings in view of the optimization of tribological performances for aerospace applications.

  4. Production and characterization of supersonic carbon cluster beams

    International Nuclear Information System (INIS)

    Rohlfing, E.A.; Cox, D.M.; Kaldor, A.

    1984-01-01

    Laser vaporization of a substrate within the throat of a pulsed nozzle is used to generate a supersonic beam of carbon clusters. The neutral cluster beam is probed downstream by UV laser photoionization with time-of-flight mass analysis of the resulting photoions. Using graphite as the substrate, carbon clusters C/sub n/ for n = 1--190 have been produced having a distinctly bimodal cluster size distribution: (i) Both even and odd clusters for C/sub n/, 1 + /sub n/ signals are interpreted on the basis of cluster formation and stability arguments. Ionizing laser power dependences taken at several different photon energies are used to roughly bracket the carbon cluster ionization potentials, and, at high laser intensity, to observe the onset of multiphoton fragmentation. By treating the graphite rod with KOH, a greatly altered carbon cluster distribution with mixed carbon/potassium clusters of formula K 2 C/sub 2n/ is produced

  5. Supersonic cluster beams: a powerful method for the deposition of nanostructured thin films with tailored properties

    International Nuclear Information System (INIS)

    Milani, P.

    2002-01-01

    By using a pulsed micro-plasma cluster source and by exploiting aero-dynamical effects typical of supersonic beams it is possible to obtain very high deposition rates with a control on neutral cluster mass distribution, allowing the deposition of thin films with controlled nanostructure. Due to high deposition rates, high lateral resolution, low temperature processing supersonic cluster beams can also be used for the micro and nano-patterning of cluster-assembled films when little or no post-growth manipulation or assembly is required. For example the nano and meso-structure of films obtained by carbon cluster beam deposition can be controlled by selecting in the beam the elemental building blocks, moreover functional properties such as field emission can be controlled and tailored. The use of supersonic cluster beams opens also new perspectives for the production of nano-structured films with novel physico-chemical and topological properties such as nano-structured carbon matrices containing carbide and transition metal particles. (Author)

  6. The electron beam diagnostic of the clustered supersonic nitrogen jets

    Science.gov (United States)

    Avtaeva, S. V.; Yakovleva, T. S.; Kalyada, V. V.; Zarvin, A. E.

    2017-11-01

    Axial and radial distributions of the rotational temperature and density of N2 molecules in supersonic nitrogen jets formed with conic nozzles (critical diameters dcr of 0.17 and 0.21 mm) were studied using the electron beam fluorescence technique at stagnation pressures P0 of 0.1-0.6 MPa. A rotational temperature Tr , equaling a gas temperature Tg owing to fast RT relaxation, was obtained using the rotational line relative intensity distribution in (0-1) vibrational band of the N2 first negative system. Gas density profiles in the jets were obtained using the integral intensity of the band. It is found, Tr at the nozzle outlet is of the order of a few tens of Kelvin and at further expansion Tr drops up to 15-20K at distance of (100-200) dcr . The gas temperature and density distributions in the studied supersonic nitrogen jets are not similar to the isentropic distributions. It is shown that the lower is the stagnation pressure the faster the gas density and temperature decrease with distance from the nozzle. Increase in P0 leads to elevating Tg in the jets. A reason for this effect may be cluster formation in the jets. Estimations of cluster mean sizes in the jets using Hagena’s parameter show presence of large clusters (M≥200) at P0 = 0.4-0.6 MPa.

  7. Electrochemical impedance spectroscopy on nanostructured carbon electrodes grown by supersonic cluster beam deposition

    International Nuclear Information System (INIS)

    Bettini, Luca Giacomo; Bardizza, Giorgio; Podestà, Alessandro; Milani, Paolo; Piseri, Paolo

    2013-01-01

    Nanostructured porous films of carbon with density of about 0.5 g/cm 3 and 200 nm thickness were deposited at room temperature by supersonic cluster beam deposition (SCBD) from carbon clusters formed in the gas phase. Carbon film surface topography, determined by atomic force microscopy, reveals a surface roughness of 16 nm and a granular morphology arising from the low kinetic energy ballistic deposition regime. The material is characterized by a highly disordered carbon structure with predominant sp2 hybridization as evidenced by Raman spectroscopy. The interface properties of nanostructured carbon electrodes were investigated by cyclic voltammetry and electrochemical impedance spectroscopy employing KOH 1 M solution as aqueous electrolyte. An increase of the double layer capacitance is observed when the electrodes are heat treated in air or when a nanostructured nickel layer deposited by SCBD on top of a sputter deposited film of the same metal is employed as a current collector instead of a plain metallic film. This enhancement is consistent with an improved charge injection in the active material and is ascribed to the modification of the electrical contact at the interface between the carbon and the metal current collector. Specific capacitance values up to 120 F/g have been measured for the electrodes with nanostructured metal/carbon interface.

  8. Electrochemical impedance spectroscopy on nanostructured carbon electrodes grown by supersonic cluster beam deposition

    Energy Technology Data Exchange (ETDEWEB)

    Bettini, Luca Giacomo; Bardizza, Giorgio; Podesta, Alessandro; Milani, Paolo; Piseri, Paolo, E-mail: piseri@mi.infn.it [Universita degli Studi di Milano, Dipartimento di Fisica and CIMaINa (Italy)

    2013-02-15

    Nanostructured porous films of carbon with density of about 0.5 g/cm{sup 3} and 200 nm thickness were deposited at room temperature by supersonic cluster beam deposition (SCBD) from carbon clusters formed in the gas phase. Carbon film surface topography, determined by atomic force microscopy, reveals a surface roughness of 16 nm and a granular morphology arising from the low kinetic energy ballistic deposition regime. The material is characterized by a highly disordered carbon structure with predominant sp2 hybridization as evidenced by Raman spectroscopy. The interface properties of nanostructured carbon electrodes were investigated by cyclic voltammetry and electrochemical impedance spectroscopy employing KOH 1 M solution as aqueous electrolyte. An increase of the double layer capacitance is observed when the electrodes are heat treated in air or when a nanostructured nickel layer deposited by SCBD on top of a sputter deposited film of the same metal is employed as a current collector instead of a plain metallic film. This enhancement is consistent with an improved charge injection in the active material and is ascribed to the modification of the electrical contact at the interface between the carbon and the metal current collector. Specific capacitance values up to 120 F/g have been measured for the electrodes with nanostructured metal/carbon interface.

  9. Electrochemical impedance spectroscopy on nanostructured carbon electrodes grown by supersonic cluster beam deposition

    Science.gov (United States)

    Bettini, Luca Giacomo; Bardizza, Giorgio; Podestà, Alessandro; Milani, Paolo; Piseri, Paolo

    2013-02-01

    Nanostructured porous films of carbon with density of about 0.5 g/cm3 and 200 nm thickness were deposited at room temperature by supersonic cluster beam deposition (SCBD) from carbon clusters formed in the gas phase. Carbon film surface topography, determined by atomic force microscopy, reveals a surface roughness of 16 nm and a granular morphology arising from the low kinetic energy ballistic deposition regime. The material is characterized by a highly disordered carbon structure with predominant sp2 hybridization as evidenced by Raman spectroscopy. The interface properties of nanostructured carbon electrodes were investigated by cyclic voltammetry and electrochemical impedance spectroscopy employing KOH 1 M solution as aqueous electrolyte. An increase of the double layer capacitance is observed when the electrodes are heat treated in air or when a nanostructured nickel layer deposited by SCBD on top of a sputter deposited film of the same metal is employed as a current collector instead of a plain metallic film. This enhancement is consistent with an improved charge injection in the active material and is ascribed to the modification of the electrical contact at the interface between the carbon and the metal current collector. Specific capacitance values up to 120 F/g have been measured for the electrodes with nanostructured metal/carbon interface.

  10. Description of a laser vaporization source and a supersonic cluster beam apparatus

    International Nuclear Information System (INIS)

    Doverstaal, M.; Lindgren, B.; Sassenberg, U.; Yu, H.

    1993-11-01

    Laser vaporization of an appropriate target and recent developments in molecular beam technology have now made it possible to produce supersonic cluster beams of virtually any element in the periodic table. This paper describes the design and principles of a cluster source combined with a time of flight mass spectrometer built for reaction experiments and spectroscopic investigations at Stockholm University

  11. Metal interactions with boron clusters

    International Nuclear Information System (INIS)

    Grimes, R.N.

    1982-01-01

    This book presents information on the following topics: the structural and bonding features of metallaboranes and metallacarboranes; transition-metal derivatives of nido-boranes and some related species; interactions of metal groups with the octahydrotriborate (1-) anion, B 3 H 8 ; metallaboron cage compounds of the main group metals; closo-carborane-metal complexes containing metal-carbon and metal-boron omega-bonds; electrochemistry of metallaboron cage compounds; and boron clusters with transition metal-hydrogen bonds

  12. Electronic structure of metal clusters

    International Nuclear Information System (INIS)

    Wertheim, G.K.

    1989-01-01

    Photoemission spectra of valence electrons in metal clusters, together with threshold ionization potential measurements, provide a coherent picture of the development of the electronic structure from the isolated atom to the large metallic cluster. An insulator-metal transition occurs at an intermediate cluster size, which serves to define the boundary between small and large clusters. Although the outer electrons may be delocalized over the entire cluster, a small cluster remains insulating until the density of states near the Fermi level exceeds 1/kT. In large clusters, with increasing cluster size, the band structure approaches that of the bulk metal. However, the bands remain significantly narrowed even in a 1000-atom cluster, giving an indication of the importance of long-range order. The core-electron binding-energy shifts of supported metal clusters depend on changes in the band structure in the initial state, as well as on various final-state effects, including changes in core hole screening and the coulomb energy of the final-state charge. For cluster supported on amorphous carbon, this macroscopic coulomb shift is often dominant, as evidenced by the parallel shifts of the core-electron binding energy and the Fermi edge. Auger data confirm that final-state effects dominate in cluster of Sn and some other metals. Surface atom core-level shifts provide a valuable guide to the contributions of initial-state changes in band structure to cluster core-electron binding energy shifts, especially for Au and Pt. The available data indicate that the shift observed in supported, metallic clusters arise largely from the charge left on the cluster by photoemission. As the metal-insulator transition is approached from above, metallic screening is suppressed and the shift is determined by the local environment. (orig.)

  13. Size selected metal clusters

    Indian Academy of Sciences (India)

    First page Back Continue Last page Overview Graphics. The Optical Absorption Spectra of Small Silver Clusters (5-11) ... Soft Landing and Fragmentation of Small Clusters Deposited in Noble-Gas Films. Harbich, W.; Fedrigo, S.; Buttet, J. Phys. Rev. B 1998, 58, 7428. CO combustion on supported gold clusters. Arenz M ...

  14. Metal cluster compounds - chemistry and importance; clusters containing isolated main group element atoms, large metal cluster compounds, cluster fluxionality

    International Nuclear Information System (INIS)

    Walther, B.

    1988-01-01

    This part of the review on metal cluster compounds deals with clusters containing isolated main group element atoms, with high nuclearity clusters and metal cluster fluxionality. It will be obvious that main group element atoms strongly influence the geometry, stability and reactivity of the clusters. High nuclearity clusters are of interest in there own due to the diversity of the structures adopted, but their intermediate position between molecules and the metallic state makes them a fascinating research object too. These both sites of the metal cluster chemistry as well as the frequently observed ligand and core fluxionality are related to the cluster metal and surface analogy. (author)

  15. A photoionization study of hydrogen-bound clusters in a supersonic molecular beam

    International Nuclear Information System (INIS)

    Cook, K.D.; Jones, G.G.; Taylor, J.W.

    1980-01-01

    Hydrogen bonding of methanol, methanol-d, ethanol, and trifluoroethanol is investigated with a supersonic molecular beam as a sampling system for a photoionization quadrupole mass spectrometer. Monochromatized vacuum ultraviolet synchrotron radiation is used as the ionizing source. Cluster ions belonging to the series (ROH)sub(n)H + are detected when sampling up to 100-torr alcohol vapor with the molecular beam. No parent cluster molecular ions are detected. Experiments are described which exclude ion-molecule reactions in the mass spectrometer ion source as a possible origin of the cluster ions. Experimental evidence shows that nozzle temperature primarily influences the equilibrium distribution of clusters present in the nozzle source. From the dependences of relative cluster ion intensities on nozzle source temperature, the heats of formation of oligomers of the alcohols are estimated. Cooperative hydrogen bonding is not detected, expect for trifluoroethanol, where the trimer is found to be the most stable cluster. (orig.)

  16. Interaction of intense electromagnetic fields with SF6 molecules and clusters in supersonic expansion

    International Nuclear Information System (INIS)

    Airoldi, V.J.T.

    1987-01-01

    A method of measuring SF 6 cluster formation and inhibition in pulsed supersonic expansion in the presence of intense electromagnetic radiation is presented. The characterization of the expansion of SF 6 molecules was done and, the extension of the collision region was determined. An improved unidimensional theory of supersonic expansion showed good agreement with the experimental results. The spectra of multiphoton absorption of SF 6 molecules in supersonic jet and the average energy absorved by each molecule were determined. The absorption spectra of molecule in the collision region present absorption maxima different from those obtained in the collisionless region. The results, if compared with the literature data, show good agreement, with a small difference in the spetra corresponding to the collisionless region. This difference was observed, for the first time in the multiphoton absorption and is attribuited to cluster formation in the jet. A new technique for measuring cluster formation in the supersonic jet, based on determination of the spatial distribution of the energy of molecules in the jet after passing through a skimmer located in the collision region is shown. The inhibition of cluster formation, due to the incidence of intense electromagnetic radiation from a CO 2 -TEA pulsed laser in the initial collision region of the jet, causes a second expansion in the skimmer. The results obtained show that this method can lead to a new isotope separation process. All the parts of the experimental set up, for example, high vacuum system, pulsed valve and pyroelectric detector, were developed and constructed specially for the experiment. (Author) [pt

  17. Formation of atomic clusters through the laser ablation of refractory materials in a supersonic molecular beam source

    International Nuclear Information System (INIS)

    Haufler, R.E.; Puretzky, A.A.; Compton, R.N.

    1993-01-01

    Concepts which guide the design of atomic cluster supersonic beam sources have been developed. These ideas are founded on the knowledge of laser ablation dynamics and are structured in order to take advantage of certain features of the ablation event. Some of the drawbacks of previous cluster source designs become apparent when the sequence of events following laser ablation are clarified. Key features of the new cluster source design include control of the cluster size distribution, uniform performance with a variety of solid materials and elements, high beam intensity, and significant removal of internal energy during the supersonic expansion

  18. Fission of Polyanionic Metal Clusters

    Science.gov (United States)

    König, S.; Jankowski, A.; Marx, G.; Schweikhard, L.; Wolfram, M.

    2018-04-01

    Size-selected dianionic lead clusters Pbn2 -, n =34 - 56 , are stored in a Penning trap and studied with respect to their decay products upon photoexcitation. Contrary to the decay of other dianionic metal clusters, these lead clusters show a variety of decay channels. The mass spectra of the fragments are compared to the corresponding spectra of the monoanionic precursors. This comparison leads to the conclusion that, in the cluster size region below about n =48 , the fission reaction Pbn2 -→Pbn-10 -+Pb10- is the major decay process. Its disappearance at larger cluster sizes may be an indication of a nonmetal to metal transition. Recently, the pair of Pb10- and Pbn-10 - were observed as pronounced fragments in electron-attachment studies [S. König et al., Int. J. Mass Spectrom. 421, 129 (2017), 10.1016/j.ijms.2017.06.009]. The present findings suggest that this combination is the fingerprint of the decay of doubly charged lead clusters. With this assumption, the dianion clusters have been traced down to Pb212 -, whereas the smallest size for the direct observation was as high as n =28 .

  19. Flutter analysis of hybrid metal-composite low aspect ratio trapezoidal wings in supersonic flow

    Directory of Open Access Journals (Sweden)

    Shokrollahi Saeed

    2017-02-01

    Full Text Available An effective 3D supersonic Mach box approach in combination with non-classical hybrid metal-composite plate theory has been used to investigate flutter boundaries of trapezoidal low aspect ratio wings. The wing structure is composed of two main components including aluminum material (in-board section and laminated composite material (out-board section. A global Ritz method is used with simple polynomials being employed as the trial functions. The most important objective of the present research is to study the effect of composite to metal proportion of hybrid wing structure on flutter boundaries in low supersonic regime. In addition, the effect of some important geometrical parameters such as sweep angle, taper ratio and aspect ratio on flutter boundaries were studied. The results obtained by present approach for special cases like pure metallic wings and results for high supersonic regime based on piston theory show a good agreement with those obtained by other investigators.

  20. Nanomanufacturing of titania interfaces with controlled structural and functional properties by supersonic cluster beam deposition

    Energy Technology Data Exchange (ETDEWEB)

    Podestà, Alessandro, E-mail: alessandro.podesta@mi.infn.it, E-mail: pmilani@mi.infn.it; Borghi, Francesca; Indrieri, Marco; Bovio, Simone; Piazzoni, Claudio; Milani, Paolo, E-mail: alessandro.podesta@mi.infn.it, E-mail: pmilani@mi.infn.it [Centro Interdisciplinare Materiali e Interfacce Nanostrutturati (C.I.Ma.I.Na.), Dipartimento di Fisica, Università degli Studi di Milano, via Celoria 16, 20133 Milano (Italy)

    2015-12-21

    Great emphasis is placed on the development of integrated approaches for the synthesis and the characterization of ad hoc nanostructured platforms, to be used as templates with controlled morphology and chemical properties for the investigation of specific phenomena of great relevance in interdisciplinary fields such as biotechnology, medicine, and advanced materials. Here, we discuss the crucial role and the advantages of thin film deposition strategies based on cluster-assembling from supersonic cluster beams. We select cluster-assembled nanostructured titania (ns-TiO{sub 2}) as a case study to demonstrate that accurate control over morphological parameters can be routinely achieved, and consequently, over several relevant interfacial properties and phenomena, like surface charging in a liquid electrolyte, and proteins and nanoparticles adsorption. In particular, we show that the very good control of nanoscale morphology is obtained by taking advantage of simple scaling laws governing the ballistic deposition regime of low-energy, mass-dispersed clusters with reduced surface mobility.

  1. Nanomanufacturing of titania interfaces with controlled structural and functional properties by supersonic cluster beam deposition

    International Nuclear Information System (INIS)

    Podestà, Alessandro; Borghi, Francesca; Indrieri, Marco; Bovio, Simone; Piazzoni, Claudio; Milani, Paolo

    2015-01-01

    Great emphasis is placed on the development of integrated approaches for the synthesis and the characterization of ad hoc nanostructured platforms, to be used as templates with controlled morphology and chemical properties for the investigation of specific phenomena of great relevance in interdisciplinary fields such as biotechnology, medicine, and advanced materials. Here, we discuss the crucial role and the advantages of thin film deposition strategies based on cluster-assembling from supersonic cluster beams. We select cluster-assembled nanostructured titania (ns-TiO 2 ) as a case study to demonstrate that accurate control over morphological parameters can be routinely achieved, and consequently, over several relevant interfacial properties and phenomena, like surface charging in a liquid electrolyte, and proteins and nanoparticles adsorption. In particular, we show that the very good control of nanoscale morphology is obtained by taking advantage of simple scaling laws governing the ballistic deposition regime of low-energy, mass-dispersed clusters with reduced surface mobility

  2. Nanomanufacturing of titania interfaces with controlled structural and functional properties by supersonic cluster beam deposition

    Science.gov (United States)

    Podestà, Alessandro; Borghi, Francesca; Indrieri, Marco; Bovio, Simone; Piazzoni, Claudio; Milani, Paolo

    2015-12-01

    Great emphasis is placed on the development of integrated approaches for the synthesis and the characterization of ad hoc nanostructured platforms, to be used as templates with controlled morphology and chemical properties for the investigation of specific phenomena of great relevance in interdisciplinary fields such as biotechnology, medicine, and advanced materials. Here, we discuss the crucial role and the advantages of thin film deposition strategies based on cluster-assembling from supersonic cluster beams. We select cluster-assembled nanostructured titania (ns-TiO2) as a case study to demonstrate that accurate control over morphological parameters can be routinely achieved, and consequently, over several relevant interfacial properties and phenomena, like surface charging in a liquid electrolyte, and proteins and nanoparticles adsorption. In particular, we show that the very good control of nanoscale morphology is obtained by taking advantage of simple scaling laws governing the ballistic deposition regime of low-energy, mass-dispersed clusters with reduced surface mobility.

  3. FTIR spectroscopy of UF6 clustering in a supersonic Laval nozzle

    International Nuclear Information System (INIS)

    Tanimura, Shinobu; Okada, Yoshiki; Takeuchi, Kazuo

    1996-01-01

    The clustering of UF 6 seeded in Ar was observed in a continuous supersonic Laval nozzle flow. The onset conditions for UF 6 clustering were investigated by measuring the FTIR spectra of UF 6 monomer and clusters in the nozzle. The onset conditions for the clustering, temperature, density of UF 6 (or partial pressure), and cooling rate, were determined. The onset temperature determined here was higher by 40-50 K than that determined by a light-scattering method. The frequency shift of the main peak of the UF 6 clusters from the monomer peak was about -17 cm -1 , which was smaller than the shift of the crystalline UF 6 by about 11 cm -1 . The increase in temperature caused by the heat of condensation and the change of the spectra of UF 6 clusters with the growth after the onset were also observed. It was shown that the clustering rate due to the collision between the monomer and cluster is much higher than that due to the collision between the monomers. 19 refs., 9 figs

  4. The influence of nanoscale morphology on the resistivity of cluster-assembled nanostructured metallic thin films

    International Nuclear Information System (INIS)

    Barborini, E; Bertolini, G; Repetto, P; Leccardi, M; Vinati, S; Corbelli, G; Milani, P

    2010-01-01

    We have studied in situ the evolution of the electrical resistivity of Fe, Pd, Nb, W and Mo cluster-assembled films during their growth by supersonic cluster beam deposition. We observed resistivity of cluster-assembled films several orders of magnitude larger than the bulk, as well as an increase in resistivity by increasing the film thickness in contrast to what was observed for atom-assembled metallic films. This suggests that the nanoscale morphological features typical of ballistic films growth, such as the minimal cluster-cluster interconnection and the evolution of surface roughness with thickness, are responsible for the observed behaviour.

  5. Production of metal particles and clusters

    Science.gov (United States)

    Mcmanus, S. P.

    1982-01-01

    The feasibility of producing novel metals or metal clusters in a low gravity environment was studied. The production of coordinately unsaturated metal carbonyls by thermolysis or photolysis of stable metal carbonyls has the potential to generate novel catalysts by this technique. Laser irradiation of available metal carbonyls was investigated. It is found that laser induced decomposition of metal carbonyls is feasible for producing a variety of coordinately unsaturated species. Formation of clustered species does occur but is hampered by weak metal-metal bonds.

  6. Flexible, ionic liquid-based micro-supercapacitor produced by supersonic cluster beam deposition

    International Nuclear Information System (INIS)

    Bettini, L.G.; Piseri, P.; De Giorgio, F.; Arbizzani, C.; Milani, P.; Soavi, F.

    2015-01-01

    Highlights: • We exploited Supersonic Cluster Beam Deposition for the fabrication of a flexible, planar micro-supercapacitor featuring nanostructured carbon electrodes deposited on a plastic Mylar substrate and N-trimethyl-N-propyl-ammonium bis(trifluoromethanesulfonyl) imide (N 1113 TFSI) ionic liquid electrolyte. • The micro-supercapacitor operates at 3 V above RT up to 80 °C with a capacitance density approaching 10 F cm −3 and delivering maximum specific energy and power densities of 10 mWh cm −3 and 8-10 W cm −3 . • The micro-supercapacitor features long cycling stability over 2x10 4 cycle on flat and bent configuration. -- Graphical abstract: Display Omitted -- Abstract: Power generation and storage in electronics require flexible, thin micro-electrochemical energy storage/conversion systems. Micro-supercapacitors (μSCs) with double-layer capacitance carbon electrodes are attracting much attention for their capability of delivering short power pulses with high stability over repeated charge/discharge cycling. Supersonic Cluster Beam Deposition (SCBD) is an effective strategy for the development of nanostructured, binder-free porous carbon electrodes on temperature sensitive substrates including polymers. We exploited SCBD for the development of a flexible, planar μSC featuring nanostructured carbon (ns-C) electrodes deposited on a plastic Mylar substrate and N-trimethyl-N-propyl-ammonium bis(trifluoromethanesulfonyl) imide (N 1113 TFSI) ionic liquid electrolyte. The electrochemical performance at different temperatures of the μSC which operates at 3 V above RT up to 80 °C with a capacitance density approaching 10 F cm −3 and delivering maximum specific energy and power densities of 10 mWh cm −3 and 8-10 W cm −3 with long cycling stability over 2 × 10 4 cycles is here reported and discussed

  7. Gas phase reactivity of thermal metal clusters

    International Nuclear Information System (INIS)

    Castleman, A.W. Jr.; Harms, A.C.; Leuchtner, R.E.

    1991-01-01

    Reaction kinetics of metal cluster ions under well defined thermal conditions were studied using a flow tube reactor in combination with laser vaporization. Aluminum anions and cations were reacted with oxygen, and several species which are predicted jellium shell closings, were found to have special stability. Metal alloy cluster anions comprised of Al, V and Nb were also seen to react with oxygen. Alloy clusters with an even number of electrons reacted more slowly than odd electron species, and certain clusters appeared to be exceptionally unreactive. Copper cation clusters were observed to associate with carbon monoxide with reactivities that approach bulk behavior at surprisingly small cluster size. These reactions demonstrate how the rate of reaction changes with cluster size. (orig.)

  8. Gas phase reactivity of thermal metal clusters

    Science.gov (United States)

    Castleman, A. W., Jr.; Harms, A. C.; Leuchtner, R. E.

    1991-03-01

    Reaction kinetics of metal cluster ions under well defined thermal conditions were studied using a flow tube reactor in combination with laser vaporization. Aluminum anions and cations were reacted with oxygen, and several species which are predicted jellium shell closings, were found to have special stability. Metal alloy cluster anions comprised of Al, V and Nb were also seen to react with oxygen. Alloy clusters with an even number of electrons reacted more slowly than odd electron species, and certain clusters appeared to be exceptionally unreactive. Copper cation clusters were observed to associate with carbon monoxide with reactivities that approach bulk behavior at surprisingly small cluster size. These reactions demonstrate how the rate of reaction changes with cluster size.

  9. Photometric metal abundances for twenty clusters

    International Nuclear Information System (INIS)

    Jennens, P.A.; Helfer, H.L.

    1975-01-01

    Metal abundances, colour excesses and distance moduli have been determined for individual giant stars, using UBViyz photometry, in NGC 188, 559, 752, 1245, 1342, 1907, 1912, 2099, 5139 (ω cen), 5316, 5617, 5822, 5823, 6067, IC 4651, 6819, 6940, 7142, 7261 and 7789. All six clusters with ages 3 to 8x10 9 yr have metal abundances agreeing with one another; their average value of [Fe/H]=-0.24+-0.05, agrees with the average found for the bright K-giants near the Sun. All six clusters are at least 140pc from the galactic plane. For the younger clusters less than approximately 10 9 yr old, one-third are metal deficient. The very young cluster, NGC 559, is probably very metal weak. (author)

  10. Collective excitations in deformed alkali metal clusters

    International Nuclear Information System (INIS)

    Lipparini, E.; Stringari, S.; Istituto Nazionale di Fisica Nucleare, Povo

    1991-01-01

    A theoretical study of collective excitations in deformed metal clusters is presented. Sum rules are used to study the splittings of the dipole surface plasma resonance originating from the cluster deformation. The vibrating potential model is developed and used to predict the occurrence of a low lying collective mode of orbital magnetic nature. (orig.)

  11. Electron scattering on metal clusters and fullerenes

    International Nuclear Information System (INIS)

    Solov'yov, A.V.

    2001-01-01

    This paper gives a survey of physical phenomena manifesting themselves in electron scattering on atomic clusters. The main emphasis is made on electron scattering on fullerenes and metal clusters, however some results are applicable to other types of clusters as well. This work is addressed to theoretical aspects of electron-cluster scattering, however some experimental results are also discussed. It is demonstrated that the electron diffraction plays important role in the formation of both elastic and inelastic electron scattering cross sections. It is elucidated the essential role of the multipole surface and volume plasmon excitations in the formation of electron energy loss spectra on clusters (differential and total, above and below ionization potential) as well as the total inelastic scattering cross sections. Particular attention is paid to the elucidation of the role of the polarization interaction in low energy electron-cluster collisions. This problem is considered for electron attachment to metallic clusters and the plasmon enhanced photon emission. Finally, mechanisms of electron excitation widths formation and relaxation of electron excitations in metal clusters and fullerenes are discussed. (authors)

  12. Extragalactic globular clusters. I. The metallicity calibration

    International Nuclear Information System (INIS)

    Brodie, J.P.; Huchra, J.P.

    1990-01-01

    The ability of absorption-line strength indices, measured from integrated globular cluster spectra, to predict mean cluster metallicity is explored. Statistical criteria, are used to identify the six best indices out of about 20 measured in a large sample of Galactic and M31 cluster spectra. Linear relations between index and metallicity have been derived along with new calibrations of infrared colors (V - K, J - K, and CO) versus Fe/H. Estimates of metallicity from the six spectroscopic index-metallicity relations have been combined in three different ways to identify the most efficient estimator and the minimum bias estimator of Fe/H - the weighted mean. This provides an estimate of Fe/H accurate to about 15 percent. 37 refs

  13. (Electronic structure and reactivities of transition metal clusters)

    Energy Technology Data Exchange (ETDEWEB)

    1992-01-01

    The following are reported: theoretical calculations (configuration interaction, relativistic effective core potentials, polyatomics, CASSCF); proposed theoretical studies (clusters of Cu, Ag, Au, Ni, Pt, Pd, Rh, Ir, Os, Ru; transition metal cluster ions; transition metal carbide clusters; bimetallic mixed transition metal clusters); reactivity studies on transition metal clusters (reactivity with H{sub 2}, C{sub 2}H{sub 4}, hydrocarbons; NO and CO chemisorption on surfaces). Computer facilities and codes to be used, are described. 192 refs, 13 figs.

  14. The atomic structure of transition metal clusters

    International Nuclear Information System (INIS)

    Riley, S.J.

    1995-01-01

    Chemical reactions are used to probe the atomic (geometrical) structure of isolated clusters of transition metal atoms. The number of adsorbate molecules that saturate a cluster, and/or the binding energy of molecules to cluster surfaces, are determined as a function of cluster size. Systematics in these properties often make it possible to propose geometrical structures consistent with the experimental observations. We will describe how studies of the reactions of cobalt and nickel clusters with ammonia, water, and nitrogen provide important and otherwise unavailable structural information. Specifically, small (less than 20 atoms) clusters of cobalt and nickel atoms adopt entirely different structures, the former having packing characteristic of the bulk and the latter having pentagonal symmetry. These observations provide important input for model potentials that attempt to describe the local properties of transition metals. In particular, they point out the importance of a proper treatment of d-orbital binding in these systems, since cobalt and nickel differ so little in their d-orbital occupancy

  15. Energetics of charged metal clusters containing vacancies

    Science.gov (United States)

    Pogosov, Valentin V.; Reva, Vitalii I.

    2018-01-01

    We study theoretically large metal clusters containing vacancies. We propose an approach, which combines the Kohn-Sham results for monovacancy in a bulk of metal and analytical expansions in small parameters cv (relative concentration of vacancies) and RN,v -1, RN ,v being cluster radii. We obtain expressions of the ionization potential and electron affinity in the form of corrections to electron work function, which require only the characteristics of 3D defect-free metal. The Kohn-Sham method is used to calculate the electron profiles, ionization potential, electron affinity, electrical capacitance; dissociation, cohesion, and monovacancy-formation energies of the small perfect clusters NaN, MgN, AlN (N ≤ 270) and the clusters containing a monovacancy (N ≥ 12) in the stabilized-jellium model. The quantum-sized dependences for monovacancy-formation energies are calculated for the Schottky scenario and the "bubble blowing" scenario, and their asymptotic behavior is also determined. It is shown that the asymptotical behaviors of size dependences for these two mechanisms differ from each other and weakly depend on the number of atoms in the cluster. The contribution of monovacancy to energetics of charged clusters and the size dependences of their characteristics and asymptotics are discussed. It is shown that the difference between the characteristics for the neutral and charged clusters is entirely determined by size dependences of ionization potential and electron affinity. Obtained analytical dependences may be useful for the analysis of the results of photoionization experiments and for the estimation of the size dependences of the vacancy concentration including the vicinity of the melting point.

  16. New projectiles: multicharged metal clusters and biopolymers

    International Nuclear Information System (INIS)

    Della-Negra, S.; Gardes, D.; Le Beyec, Y.; Waast, B.

    1991-01-01

    Metal clusters and molecules are the one mean to realize simultaneous impacts of several atoms on a reduced surface(∼100A). The interaction characteristics is the non-linearity of energy deposition; the perturbation that the cluster produces, is above than the sum of the perturbation induced by its components, taken separately. The purpose of ORION project is to accelerate these new projectiles at ORSAY Tandem. The considered mass range is from 100 Daltons to 100 000 Daltons and energy range from MeV to GeV

  17. High-throughput shadow mask printing of passive electrical components on paper by supersonic cluster beam deposition

    Energy Technology Data Exchange (ETDEWEB)

    Caruso, Francesco; Bellacicca, Andrea; Milani, Paolo, E-mail: pmilani@mi.infn.it [CIMaINa and Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy)

    2016-04-18

    We report the rapid prototyping of passive electrical components (resistors and capacitors) on plain paper by an additive and parallel technology consisting of supersonic cluster beam deposition (SCBD) coupled with shadow mask printing. Cluster-assembled films have a growth mechanism substantially different from that of atom-assembled ones providing the possibility of a fine tuning of their electrical conduction properties around the percolative conduction threshold. Exploiting the precise control on cluster beam intensity and shape typical of SCBD, we produced, in a one-step process, batches of resistors with resistance values spanning a range of two orders of magnitude. Parallel plate capacitors with paper as the dielectric medium were also produced with capacitance in the range of tens of picofarads. Compared to standard deposition technologies, SCBD allows for a very efficient use of raw materials and the rapid production of components with different shape and dimensions while controlling independently the electrical characteristics. Discrete electrical components produced by SCBD are very robust against deformation and bending, and they can be easily assembled to build circuits with desired characteristics. The availability of large batches of these components enables the rapid and cheap prototyping and integration of electrical components on paper as building blocks of more complex systems.

  18. Metallicity Spreads in M31 Globular Clusters

    Science.gov (United States)

    Bridges, Terry

    2003-07-01

    Our recent deep HST photometry of the M31 halo globular cluster {GC} Mayall II, also called G1, has revealed a red-giant branch with a clear spread that we attribute to an intrinsic metallicity dispersion of at least 0.4 dex in [Fe/H]. The only other GC exhibiting such a metallicity dispersion is Omega Centauri, the brightest and most massive Galactic GC, whose range in [Fe/H] is about 0.5 dex. These observations are obviously linked to the fact that both G1 and Omega Cen are bright and massive GC, with potential wells deep enough to keep part of their gas, which might have been recycled, producing a metallicity scatter among cluster stars. These observations dramatically challenge the notion of chemical homogeneity as a defining characteristic of GCs. It is critically important to find out how common this phenomenon is and how it can constrain scenarios/models of GC formation. The obvious targets are other bright and massive GCs, which exist in M31 but not in our Galaxy where Omega Cen is an isolated giant. We propose to acquire, with ACS/HRC, deep imaging of 3 of the brightest M31 GCs for which we have observed velocity dispersion values similar to those observed in G1 and Omega Cen. A sample of GCs with chemical abundance dispersions will provide essential information about their formation mechanism. This would represent a major step for the studies of the origin and evolution of stellar populations.

  19. Globular cluster metallicity scale: evidence from stellar models

    International Nuclear Information System (INIS)

    Demarque, P.; King, C.R.; Diaz, A.

    1982-01-01

    Theoretical giant branches have been constructed to determine their relative positions for metallicities in the range -2.3 0 )/sub 0,g/ based on these models is presented which yields good agreement over the observed range of metallicities for galactic globular clusters and old disk clusters. The metallicity of 47 Tuc and M71 given by this calibration is about -0.8 dex. Subject headings: clusters, globular: stars: abundances: stars: interiors

  20. Calibration and Process of Signal of Photomultiplier Tube in Rayleigh Scattering of Supersonic Jet Clusters

    International Nuclear Information System (INIS)

    Lu Jianfeng; Liu Meng; Han Jifeng; Li Jia; Luo Xiaobing; Miao Jingwei; Yang Chaowen

    2009-01-01

    In the experiments of Rayleigh scattering of gas-jet clusters, the signal amplitude of PMT is not only affected by duster itself, but also by the intensity of light source and work voltage of PMT. When the back pressure of cluster source varies from 10 atm to about 100atm, the signal amplitude of PMT may be from linear to nonlinear. In order to solve the problem, signal calibration of PMT under different intensifies of light and voltage of PMT has been done. The relationship between the amplitude of signal and intensities of light as well as voltage of PMT has been obtained. The function of scatter factor of Ar clusters with the back pressure of cluster source is gotten experimentally, and agrees with related experimental and theoretical results. (authors)

  1. Photon Doppler Velocimeter to Measure Entrained Additive Manufactured Bulk Metal Powders in Hot Subsonic and Supersonic Oxygen Gas

    Science.gov (United States)

    Tylka, Jonathan

    2016-01-01

    Parts produced by additive manufacturing, particularly selective laser melting (SLM), have been shown to silt metal particulate even after undergoing stringent precision aerospace cleaning processes (Lowrey 2016). As printed parts are used in oxygen systems with increased pressures, temperatures, and gas velocity, the risk of ignition by particle impact, the most common direct ignition source of metals in oxygen, substantially increases. The White Sands Test Facility (WSTF), in collaboration with Marshall Space Flight Center (MSFC), desires to test the ignitability of SLM metals by particle impact in heated oxygen. The existing test systems rely on gas velocity calculations to infer particle velocity in both subsonic and supersonic particle impact systems. Until now, it was not possible to directly measure particle velocity. To increase the fidelity of planned SLM ignition studies, it is necessary to validate that the Photon Doppler Velocimetry(PDV) test system can accurately measure particle velocity.

  2. Deposition of metal Islands, metal clusters and metal containing single molecules on self-assembled monolayers

    NARCIS (Netherlands)

    Speets, Emiel Adrianus

    2005-01-01

    The central topic of this thesis is the deposition of metals on Self-Assembled Monolayers (SAMs). Metals are deposited in the form of submicron scale islands, nanometer scale clusters, and as supramolecular, organometallic coordination cages. Several SAMs on various substrates were prepared and

  3. Volume shift and charge instability of simple-metal clusters

    OpenAIRE

    Brajczewska, Marta; Vieira, Armando; Fiolhais, Carlos

    1996-01-01

    Experiment indicates that small clusters show changes (mostly contractions) of the bond lengths with respect to bulk values. We use the stabilized jellium model to study the self-expansion and self-compression of spherical clusters (neutral or ionized) of simple metals. Results from Kohn — Sham density functional theory are presented for small clusters of Al and Na, including negatively-charged ones. We also examine the stability of clusters with respect to charging

  4. Volume shift and charge instability of simple-metal clusters

    Science.gov (United States)

    Brajczewska, M.; Vieira, A.; Fiolhais, C.; Perdew, J. P.

    1996-12-01

    Experiment indicates that small clusters show changes (mostly contractions) of the bond lengths with respect to bulk values. We use the stabilized jellium model to study the self-expansion and self-compression of spherical clusters (neutral or ionized) of simple metals. Results from Kohn - Sham density functional theory are presented for small clusters of Al and Na, including negatively-charged ones. We also examine the stability of clusters with respect to charging.

  5. Influence of reactive gas admixture on transition metal cluster nucleation in a gas aggregation cluster source

    Science.gov (United States)

    Peter, Tilo; Polonskyi, Oleksandr; Gojdka, Björn; Mohammad Ahadi, Amir; Strunskus, Thomas; Zaporojtchenko, Vladimir; Biederman, Hynek; Faupel, Franz

    2012-12-01

    We quantitatively assessed the influence of reactive gases on the formation processes of transition metal clusters in a gas aggregation cluster source. A cluster source based on a 2 in. magnetron is used to study the production rate of titanium and cobalt clusters. Argon served as working gas for the DC magnetron discharge, and a small amount of reactive gas (oxygen and nitrogen) is added to promote reactive cluster formation. We found that the cluster production rate depends strongly on the reactive gas concentration for very small amounts of reactive gas (less than 0.1% of total working gas), and no cluster formation takes place in the absence of reactive species. The influence of discharge power, reactive gas concentration, and working gas pressure are investigated using a quartz micro balance in a time resolved manner. The strong influence of reactive gas is explained by a more efficient formation of nucleation seeds for metal-oxide or nitride than for pure metal.

  6. Ruprecht 106 - A young metal-poor Galactic globular cluster

    International Nuclear Information System (INIS)

    Buonanno, R.; Buscema, G.; Fusi Pecci, F.; Richer, H.B.; Fahlman, G.G.

    1990-01-01

    The first CCD photometric survey in the Galactic globular cluster Ruprecht 106 has been performed. The results show that Ruprecht 106 is a metal-poor cluster with (Fe/H) about -2 located at about 25 kpc from the Galactic center. A sizable, high centrally concentrated population of blue stragglers was detected. Significant differences in the positions of the turnoffs in the color-magnitude diagram are found compared to those in metal-poor clusters. The cluster appears younger than other typical metal-poor Galactic globulars by about 4-5 Gyr; if true, this object would represent the first direct proof of the existence of a significant age spread among old, very metal-poor clusters. 51 refs

  7. Rotation of small clusters in sheared metallic glasses

    International Nuclear Information System (INIS)

    Delogu, Francesco

    2011-01-01

    Graphical abstract: When a Cu 50 Ti 50 metallic glass is shear-deformed, the irreversible rearrangement of local structures allows the rigid body rotation of clusters. Highlights: → A shear-deformed Cu 50 Ti 50 metallic glass was studied by molecular dynamics. → Atomic displacements occur at irreversible rearrangements of local structures. → The dynamics of such events includes the rigid body rotation of clusters. → Relatively large clusters can undergo two or more complete rotations. - Abstract: Molecular dynamics methods were used to simulate the response of a Cu 50 Ti 50 metallic glass to shear deformation. Attention was focused on the atomic displacements taking place during the irreversible rearrangement of local atomic structures. It is shown that the apparently disordered dynamics of such events hides the rigid body rotation of small clusters. Cluster rotation was investigated by evaluating rotation angle, axis and lifetimes. This permitted to point out that relatively large clusters can undergo two or more complete rotations.

  8. Ion beam induced nanosized Ag metal clusters in glass

    International Nuclear Information System (INIS)

    Mahnke, H.-E.; Schattat, B.; Schubert-Bischoff, P.; Novakovic, N.

    2006-01-01

    Silver metal clusters have been formed in soda lime glass by high-energy heavy-ion irradiation at ISL. The metal cluster formation was detected with X-ray absorption spectroscopy (EXAFS) in fluorescence mode, and the shape of the clusters was imaged with transmission electron microscopy. While annealing in reducing atmosphere alone, leads to the formation of metal clusters in Ag-containing glasses, where the Ag was introduced by ion-exchange, such clusters are not very uniform in size and are randomly distributed over the Ag-containing glass volume. Irradiation with 600-MeV Au ions followed by annealing, however, results in clusters more uniform in size and arranged in chains parallel to the direction of the ion beam

  9. METALS IN THE ICM: WITNESSES OF CLUSTER FORMATION AND EVOLUTION

    Directory of Open Access Journals (Sweden)

    Lorenzo Lovisari

    2013-12-01

    Full Text Available The baryonic composition of galaxy clusters and groups is dominated by a hot, X-ray emitting Intra-Cluster Medium (ICM. The mean metallicity of the ICM has been found to be roughly 0.3 ÷ 0.5 times the solar value, therefore a large fraction of this gas cannot be of purely primordial origin. Indeed, the distribution and amount of metals in the ICM is a direct consequence of the past history of star formation in the cluster galaxies and of the processes responsible for the injection of enriched material into the ICM. We here shortly summarize the current views on the chemical enrichment, focusing on the observational evidence in terms of metallicity measurements in clusters, spatial metallicity distribution and evolution, and expectations from future missions.

  10. Orbital magnetism and dynamics in alkali metal clusters

    International Nuclear Information System (INIS)

    Nesterenko, V.O.; Kleinig, W.; Souza Cruz, FF. de; Marinelli, J.R.

    2000-01-01

    Two remarkable orbital magnetic resonances, M1 scissor mode and M2 twist mode, are predicted in deformed and spherical metal clusters, respectively. We show that these resonances provide a valuable information about many cluster properties (quadrupole deformation, magnetic susceptibility, single-particle spectrum, etc.)

  11. Infrared Multiple Photon Dissociation Spectroscopy Of Metal Cluster-Adducts

    Science.gov (United States)

    Cox, D. M.; Kaldor, A.; Zakin, M. R.

    1987-01-01

    Recent development of the laser vaporization technique combined with mass-selective detection has made possible new studies of the fundamental chemical and physical properties of unsupported transition metal clusters as a function of the number of constituent atoms. A variety of experimental techniques have been developed in our laboratory to measure ionization threshold energies, magnetic moments, and gas phase reactivity of clusters. However, studies have so far been unable to determine the cluster structure or the chemical state of chemisorbed species on gas phase clusters. The application of infrared multiple photon dissociation IRMPD to obtain the IR absorption properties of metal cluster-adsorbate species in a molecular beam is described here. Specifically using a high power, pulsed CO2 laser as the infrared source, the IRMPD spectrum for methanol chemisorbed on small iron clusters is measured as a function of the number of both iron atoms and methanols in the complex for different methanol isotopes. Both the feasibility and potential utility of IRMPD for characterizing metal cluster-adsorbate interactions are demonstrated. The method is generally applicable to any cluster or cluster-adsorbate system dependent only upon the availability of appropriate high power infrared sources.

  12. Oxide-supported metal clusters: models for heterogeneous catalysts

    International Nuclear Information System (INIS)

    Santra, A K; Goodman, D W

    2003-01-01

    Understanding the size-dependent electronic, structural and chemical properties of metal clusters on oxide supports is an important aspect of heterogeneous catalysis. Recently model oxide-supported metal catalysts have been prepared by vapour deposition of catalytically relevant metals onto ultra-thin oxide films grown on a refractory metal substrate. Reactivity and spectroscopic/microscopic studies have shown that these ultra-thin oxide films are excellent models for the corresponding bulk oxides, yet are sufficiently electrically conductive for use with various modern surface probes including scanning tunnelling microscopy (STM). Measurements on metal clusters have revealed a metal to nonmetal transition as well as changes in the crystal and electronic structures (including lattice parameters, band width, band splitting and core-level binding energy shifts) as a function of cluster size. Size-dependent catalytic reactivity studies have been carried out for several important reactions, and time-dependent catalytic deactivation has been shown to arise from sintering of metal particles under elevated gas pressures and/or reactor temperatures. In situ STM methodologies have been developed to follow the growth and sintering kinetics on a cluster-by-cluster basis. Although several critical issues have been addressed by several groups worldwide, much more remains to be done. This article highlights some of these accomplishments and summarizes the challenges that lie ahead. (topical review)

  13. Split and Compensated Hyperfine Fields in Magnetic Metal Clusters

    International Nuclear Information System (INIS)

    Nakamura, H.; Chudo, H.; Shiga, M.; Kohara, T.

    2004-01-01

    As prominent characteristics of magnetic metal cluster found in vanadium sulfides, we point out marked separation and compensation of the hyperfine field at the nuclear site; these are in somewhat discordance with the common sense for 3d transition-metal magnets, where the on-site isotropic field, scaling the ordered moment magnitude, is dominant.

  14. Thermodynamics of Pore Filling Metal Clusters in Metal Organic Frameworks: Pd in UiO-66

    DEFF Research Database (Denmark)

    Vilhelmsen, Lasse; Sholl, David S.

    2012-01-01

    Metal organic frameworks (MOFs) have experimentally been demonstrated to be capable of supporting isolated transition-metal clusters, but the stability of these clusters with respect to aggregation is unclear. In this letter we use a genetic algorithm together with density functional theory...... calculations to predict the structure of Pd clusters in UiO-66. The cluster sizes examined are far larger than those in any previous modeling studies of metal clusters in MOFs and allow us to test the hypothesis that the physically separated cavities in UiO-66 could stabilize isolated Pd clusters. Our...... calculations show that Pd clusters in UiO-66 are, at best, metastable and will aggregate into connected pore filling structures at equilibrium....

  15. Clustered field evaporation of metallic glasses in atom probe tomography

    International Nuclear Information System (INIS)

    Zemp, J.; Gerstl, S.S.A.; Löffler, J.F.; Schönfeld, B.

    2016-01-01

    Field evaporation of metallic glasses is a stochastic process combined with spatially and temporally correlated events, which are referred to as clustered evaporation (CE). This phenomenon is investigated by studying the distance between consecutive detector hits. CE is found to be a strongly localized phenomenon (up to 3 nm in range) which also depends on the type of evaporating ions. While a similar effect in crystals is attributed to the evaporation of crystalline layers, CE of metallic glasses presumably has a different – as yet unknown – physical origin. The present work provides new perspectives on quantification methods for atom probe tomography of metallic glasses. - Highlights: • Field evaporation of metallic glasses is heterogeneous on a scale of up to 3 nm. • Amount of clustered evaporation depends on ion species and temperature. • Length scales of clustered evaporation and correlative evaporation are similar.

  16. Metal nanostructures: from clusters to nanocatalysis and sensors

    Science.gov (United States)

    Smirnov, B. M.

    2017-12-01

    The properties of metal clusters and nanostructures composed of them are reviewed. Various existing methods for the generation of intense beams of metal clusters and their subsequent conversion into nanostructures are compared. Processes of the flow of a buffer gas with active molecules through a nanostructure are analyzed as a basis of using nanostructures for catalytic applications. The propagation of an electric signal through a nanostructure is studied by analogy with a macroscopic metal. An analysis is given of how a nanostructure changes its resistance as active molecules attach to its surface and are converted into negative ions. These negative ions induce the formation of positively charged vacancies inside the metal conductor and attract the vacancies to together change the resistance of the metal nanostructure. The physical basis is considered for using metal clusters and nanostructures composed of them to create new materials in the form of a porous metal film on the surface of an object. The fundamentals of nanocatalysis are reviewed. Semiconductor conductometric sensors consisting of bound nanoscale grains or fibers acting as a conductor are compared with metal sensors conducting via a percolation cluster, a fractal fiber, or a bunch of interwoven nanofibers formed in superfluid helium. It is shown that sensors on the basis of metal nanostructures are characterized by a higher sensitivity than semiconductor ones, but are not selective. Measurements using metal sensors involve two stages, one of which measures to high precision the attachment rate of active molecules to the sensor conductor, and in the other one the surface of metal nanostructures is cleaned from the attached molecules using a gas discharge plasma (in particular, capillary discharge) with a subsequent chromatography analysis for products of cleaning.

  17. Experimental studies of the chemistry of metal clusters

    International Nuclear Information System (INIS)

    Parks, E.K.; Riley, S.J.

    1988-01-01

    The procedures for studying chemical reactions of metal clusters in a continuous-flow reactor are described, and examples of such studies are given. Experiments to be discussed include kinetics and thermodynamics measurements, and determination of the composition of clusters saturated with various adsorbate reagents. Specific systems to be covered include the reaction of iron clusters with ammonia and with hydrogen, the reaction of nickel clusters with hydrogen and with ammonia, and the reaction of platinum clusters with ethylene. The last two reactions are characterized by complex, multi-step processes that lead to adsorbate decomposition and hydrogen desorption from the clusters. Methods for probing these processes will be discussed. 26 refs., 8 figs

  18. Self-assembled metal clusters on an alumina nanomesh

    International Nuclear Information System (INIS)

    Buchsbaum, A.

    2012-01-01

    Template mediated growth of metals has attracted much interest due to the remarkable magnetic and catalytic properties of clusters in the nanometer range and provides the opportunity to grow clusters with narrow size distributions. When the Ni3Al(111) surface is exposed to oxygen at elevated temperature a thin oxide film with a well-defined structure and uniform thickness grows and covers the alloy surface completely. The structure of the alumina film has been solved mainly by the help of scanning tunneling microscopy (STM) combined with density functional theory (DFT) calculations. The structure of the approx. 0.5 nm thick oxide film has sixfold symmetry and exhibits holes with a diameter of approx. 400 pm reaching down to the metal substrate at the corners of the (Sqrt(67) x Sqrt(67))R12.2° unit cell. The side length of the unit cell is 4.1 nm. The driving force for the formation of the oxide nanomesh is the reduction of the metal/oxide interface energy by the formation of energetically favorable Al-Ni bonds at the interface. Due to better wetting of metal on metal surfaces than on oxide surfaces, metal atoms prefer to bind to the substrate in the hole, not to the oxide. Therefore the oxide forms a template with a hexagonal 4.1 nm lattice for the growth of well-ordered metal clusters. Nevertheless, the growth of most metal clusters on top of the corner holes is not straightforward. Fe and Co atoms cannot jump into the corner holes due to a barrier for diffusion and nucleate at their second favorable adsorption site. However, Pd atoms trapped in these corner holes reduce the barrier for diffusion and create metallic nucleation sites where Fe as well as Co clusters can nucleate and form a well-ordered hexagonal arrangement on the oxide nanomesh. We have studied these Fe and Co clusters and applied different methods like STM and surface x-ray diffraction (SXRD) to determine the morphology and crystallography of the clusters. For Fe we found cluster growth with

  19. The effect of alkylating agents on model supported metal clusters

    Energy Technology Data Exchange (ETDEWEB)

    Erdem-Senatalar, A.; Blackmond, D.G.; Wender, I. (Pittsburgh Univ., PA (USA). Dept. of Chemical and Petroleum Engineering); Oukaci, R. (CERHYD, Algiers (Algeria))

    1988-01-01

    Interactions between model supported metal clusters and alkylating agents were studied in an effort to understand a novel chemical trapping technique developed for identifying species adsorbed on catalyst surfaces. It was found that these interactions are more complex than had previously been suggested. Studies were completed using deuterium-labeled dimethyl sulfate (DMS), (CH{sub 3}){sub 2}SO{sub 4}, as a trapping agent to interact with the supported metal cluster ethylidyne tricobalt enneacarbonyl. Results showed that oxygenated products formed during the trapping reaction contained {minus}OCD{sub 3} groups from the DMS, indicating that the interaction was not a simple alkylation. 18 refs., 1 fig., 3 tabs.

  20. Low-energy electron collisions with metal clusters: Electron capture and cluster fragmentation

    International Nuclear Information System (INIS)

    Kresin, V.V.; Scheidemann, A.; Knight, W.D.

    1993-01-01

    The authors have carried out the first measurement of absolute cross sections for the interaction between electrons and size-resolved free metal clusters. Integral inelastic scattering cross sections have been determined for electron-Na n cluster collisions in the energy range from 0.1 eV to 30 eV. At energies ≤1 eV, cross sections increase with decreasing impact energies, while at higher energies they remain essentially constant. The dominant processes are electron attachment in the low-energy range, and collision-induced fragmentation at higher energies. The magnitude of electron capture cross sections can be quantitatively explained by the effect of the strong polarization field induced in the cluster by the incident electron. The cross sections are very large, reaching values of hundreds of angstrom 2 ; this is due to the highly polarizable nature of metal clusters. The inelastic interaction range for fragmentation collisions is also found to considerably exceed the cluster radius, again reflecting the long-range character of electron-cluster interactions. The important role played by the polarization interaction represents a bridge between the study of collision processes and the extensive research on cluster response properties. Furthermore, insight into the mechanisms of electron scattering is important for understanding production and detection of cluster ions in mass spectrometry and related processes

  1. STAR CLUSTERS IN M31. II. OLD CLUSTER METALLICITIES AND AGES FROM HECTOSPEC DATA

    International Nuclear Information System (INIS)

    Caldwell, Nelson; Schiavon, Ricardo; Morrison, Heather; Harding, Paul; Rose, James A.

    2011-01-01

    We present new high signal-to-noise spectroscopic data on the M31 globular cluster (GC) system, obtained with the Hectospec multifiber spectrograph on the 6.5 m MMT. More than 300 clusters have been observed at a resolution of 5 A and with a median S/N of 75 per A, providing velocities with a median uncertainty of 6 km s -1 . The primary focus of this paper is the determination of mean cluster metallicities, ages, and reddenings. Metallicities were estimated using a calibration of Lick indices with [Fe/H] provided by Galactic GCs. These match well the metallicities of 24 M31 clusters determined from Hubble Space Telescope color-magnitude diagrams, the differences having an rms of 0.2 dex. The metallicity distribution is not generally bimodal, in strong distinction with the bimodal Galactic globular distribution. Rather, the M31 distribution shows a broad peak, centered at [Fe/H] = -1, possibly with minor peaks at [Fe/H] = -1.4, -0.7, and -0.2, suggesting that the cluster systems of M31 and the Milky Way had different formation histories. Ages for clusters with [Fe/H] > - 1 were determined using the automatic stellar population analysis program EZ A ges. We find no evidence for massive clusters in M31 with intermediate ages, those between 2 and 6 Gyr. Moreover, we find that the mean ages of the old GCs are remarkably constant over about a decade in metallicity (-0.95∼< [Fe/H] ∼<0.0).

  2. Mass spectrometric production of heterogeneous metal clusters using Knudsen cell

    Directory of Open Access Journals (Sweden)

    Veljković Filip M.

    2016-01-01

    Full Text Available Knudsen effusion mass spectrometry or high-temperature method of mass spectrometry for decades gives new information about saturated vapor of hardly volatile compounds and it is an important method in the discovery of many new molecules, radicals, ions and clusters present in the gas phase. Since pioneering works until now, this method has been successfully applied to a large number of systems (ores, oxides, ceramics, glass materials, borides, carbides, sulfides, nitrates, metals, fullerenes, etc which led to the establishment of various research branches such as chemistry of clusters. This paper describes the basic principles of Knudsen cell use for both identification of chemical species created in the process of evaporation and determination of their ionization energies. Depending on detected ions intensities and the partial pressure of each gaseous component, as well as on changes in partial pressure with temperature, Knudsen cell mass spectrometry enables the determination of thermodynamic parameters of the tested system. A special attention is paid to its application in the field of small heterogeneous and homogeneous clusters of alkali metals. Furthermore, experimental results for thermodynamic parameters of some clusters, as well as capabilities of non-standard ways of using Knudsen cells in the process of synthesis of new clusters are presented herein. [Projekat Ministarstva nauke Republike Srbije, br. 172019

  3. Even-Odd Differences and Shape Deformation of Metal Clusters

    OpenAIRE

    Hidetoshi, Nishioka; Yoshio, Takahashi; Department of Physics, Konan University; Faculty of General Education, Yamagata University

    1994-01-01

    The relation between even-odd difference of metal cluster and the deformation of equilibrium shape is studied in terms of two different models; (i) tri-axially deformed harmonic oscillator model, (ii) rectangular box model. Having assumed the matter density ρ kept constant for different shapes of a cluster, we can determine the equilibrium shape both for the two models. The enhancement of HOMO-LUMO gap is obtained and it is ascribed to Jahn-Teller effect. Good agreement of the calculated resu...

  4. Manipulating Light with Transition Metal Clusters, Organic Dyes, and Metal Organic Frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Ogut, Serdar [Univ. of Illinois, Chicago, IL (United States)

    2017-09-11

    The primary goals of our research program is to develop and apply state-of-the-art first-principles methods to predict electronic and optical properties of three systems of significant scientific and technological interest: transition metal clusters, organic dyes, and metal-organic frameworks. These systems offer great opportunities to manipulate light for a wide ranging list of energy-related scientific problems and applications. During this grant period, we focused our investigations on the development, implementation, and benchmarking of many-body Green’s function methods (GW approximation and the Bethe-Salpeter equation) to examine excited-state properties of transition metal/transition-metal-oxide clusters and organic molecules that comprise the building blocks of dyes and metal-organic frameworks.

  5. Scattering of ultrashort electromagnetic pulses on metal clusters

    International Nuclear Information System (INIS)

    Astapenko, V. A.; Sakhno, S. V.

    2016-01-01

    We have calculated and analyzed the probability of ultrashort electromagnetic pulse (USP) scattering on small metal clusters in the frequency range of plasmon resonances during the field action. The main attention is devoted to dependence of the probability of scattering on the pulse duration for various detunings of the USP carrier frequency from the plasmon resonance frequency. Peculiarities of the USP scattering from plasmon resonances with various figures of merit are revealed.

  6. Scattering of ultrashort electromagnetic pulses on metal clusters

    Energy Technology Data Exchange (ETDEWEB)

    Astapenko, V. A., E-mail: astval@mail.ru; Sakhno, S. V. [Moscow Institute of Physics and Technology (State University) (Russian Federation)

    2016-12-15

    We have calculated and analyzed the probability of ultrashort electromagnetic pulse (USP) scattering on small metal clusters in the frequency range of plasmon resonances during the field action. The main attention is devoted to dependence of the probability of scattering on the pulse duration for various detunings of the USP carrier frequency from the plasmon resonance frequency. Peculiarities of the USP scattering from plasmon resonances with various figures of merit are revealed.

  7. A computational study of the supersonic coherent jet

    International Nuclear Information System (INIS)

    Jeong, Mi Seon; Kim, Heuy Dong

    2003-01-01

    In steel-making process of iron and steel industry, the purity and quality of steel can be dependent on the amount of CO contained in the molten metal. Recently, the supersonic oxygen jet is being applied to the molten metal in the electric furnace and thus reduces the CO amount through the chemical reactions between the oxygen jet and molten metal, leading to a better quality of steel. In this application, the supersonic oxygen jet is limited in the distance over which the supersonic velocity is maintained. In order to get longer supersonic jet propagation into the molten metal, a supersonic coherent jet is suggested as one of the alternatives which are applicable to the electric furnace system. It has a flame around the conventional supersonic jet and thus the entrainment effect of the surrounding gas into the supersonic jet is reduced, leading to a longer propagation of the supersonic jet. In this regard, gasdynamics mechanism about why the combustion phenomenon surrounding the supersonic jet causes the jet core length to be longer is not yet clarified. The present study investigates the major characteristics of the supersonic coherent jet, compared with the conventional supersonic jet. A computational study is carried out to solve the compressible, axisymmetric Navier-Stokes equations. The computational results of the supersonic coherent jet are compared with the conventional supersonic jets

  8. FURTHER DEFINITION OF THE MASS-METALLICITY RELATION IN GLOBULAR CLUSTER SYSTEMS AROUND BRIGHTEST CLUSTER GALAXIES

    International Nuclear Information System (INIS)

    Cockcroft, Robert; Harris, William E.; Wehner, Elizabeth M. H.; Whitmore, Bradley C.; Rothberg, Barry

    2009-01-01

    We combine the globular cluster (GC) data for 15 brightest cluster galaxies and use this material to trace the mass-metallicity relations (MMRs) in their globular cluster systems (GCSs). This work extends previous studies which correlate the properties of the MMR with those of the host galaxy. Our combined data sets show a mean trend for the metal-poor subpopulation that corresponds to a scaling of heavy-element abundance with cluster mass Z ∼ M 0.30±0.05 . No trend is seen for the metal-rich subpopulation which has a scaling relation that is consistent with zero. We also find that the scaling exponent is independent of the GCS specific frequency and host galaxy luminosity, except perhaps for dwarf galaxies. We present new photometry in (g',i') obtained with Gemini/GMOS for the GC populations around the southern giant ellipticals NGC 5193 and IC 4329. Both galaxies have rich cluster populations which show up as normal, bimodal sequences in the color-magnitude diagram. We test the observed MMRs and argue that they are statistically real, and not an artifact caused by the method we used. We also argue against asymmetric contamination causing the observed MMR as our mean results are no different from other contamination-free studies. Finally, we compare our method to the standard bimodal fitting method (KMM or RMIX) and find our results are consistent. Interpretation of these results is consistent with recent models for GC formation in which the MMR is determined by GC self-enrichment during their brief formation period.

  9. Metal clusters on supported argon layers; Metallcluster auf dielektrischen Substraten

    Energy Technology Data Exchange (ETDEWEB)

    Faber, Bernhard

    2011-10-21

    The deposition of small sodium clusters on supported Ar(001)-surfaces is simulated. Theoretical description is achieved by a hierarchical model consisting of time-dependent DFT and molecular dynamics. The valence electrons of the sodium atoms are considered by Kohn-Sham-Scheme with self interaction correction. The interaction of argon atoms and sodium ions is described by atom-atom potentials whereas the coupling to the QM electrons is done by local pseudo-potentials. A decisive part of the model is the dynamical polarizability of the rare-gas atoms. The optional metal support is considered by the method of image charges. The influence of the forces caused by image charges and the influence of the number of argon monolayers on structure, optical response and deposition dynamics of Na{sub 6} and Na{sub 8} is investigated. There is very little influence on cluster structure and only a small shift of the cluster perpendicular to the surface. Concerning optical response the position of the Mie plasmon peak stays robust whereas the details of spectral fragmentation react very sensitively to changes. The forces caused by image charges of the metal support play only a little role with the dynamics of deposition while the thickness of the argon surface strongly influences the dissipation. (orig.)

  10. NMR in metal cluster compounds compared to glasses

    International Nuclear Information System (INIS)

    Staveren, M.P.J. van; Brom, H.B.; Jongh, L.J. de; Schmid, G.

    1991-01-01

    The field and temperature dependence of the 31 P nuclear spin lattice relaxation rate in the metal cluster compound Ru 55 (P(t-Bu) 3 ) 12 Cl 20 follows a power law: 1/T 1 ∝ T n B -m , with n = 1.5 ± 0.1 at 3.25 T and n = 1.3 ± 0.1 at 6.45 T; m ≅ 1.4. Such dependences have so far only been observed in inorganic glasses and been attributed to two level systems. The correspondence suggests that the relaxation rate is due to interaction of the P-nuclear moment with electronic spins of stochastically moving charge carriers, which are thought to be responsible for the electrical conductivity through hopping between neigboring cluster molecules. (orig.)

  11. Oligomeric rare-earth metal cluster complexes with endohedral transition metal atoms

    Energy Technology Data Exchange (ETDEWEB)

    Steinberg, Simon; Zimmermann, Sina; Brühmann, Matthias; Meyer, Eva; Rustige, Christian; Wolberg, Marike; Daub, Kathrin; Bell, Thomas; Meyer, Gerd, E-mail: gerd.meyer@uni-koeln.de

    2014-11-15

    Comproportionation reactions of rare-earth metal trihalides (RX{sub 3}) with the respective rare-earth metals (R) and transition metals (T) led to the formation of 22 oligomeric R cluster halides encapsulating T, in 19 cases for the first time. The structures of these compounds were determined by single-crystal X-ray diffraction and are composed of trimers ((T{sub 3}R{sub 11})X{sub 15}-type, P6{sub 3}/m), tetramers ((T{sub 4}R{sub 16})X{sub 28}(R{sub 4}) (P-43m), (T{sub 4}R{sub 16})X{sub 20} (P4{sub 2}/nnm), (T{sub 4}R{sub 16})X{sub 24}(RX{sub 3}){sub 4} (I4{sub 1}/a) and (T{sub 4}R{sub 16})X{sub 23} (C2/m) types of structure) and pentamers ((Ru{sub 5}La{sub 14}){sub 2}Br{sub 39}, Cc) of (TR{sub r}){sub n} (n=2–5) clusters. These oligomers are further enveloped by inner (X{sup i}) as well as outer (X{sup a}) halido ligands, which possess diverse functionalities and interconnect like oligomers through i–i, i–a and/or a–i bridges. The general features of the crystal structures for these new compounds are discussed and compared to literature entries as well as different structure types with oligomeric T centered R clusters. Dimers and tetramers originating from the aggregation of (TR{sub 6}) octahedra via common edges are more frequent than trimers and pentamers, in which the (TR{sub r}) clusters share common faces. - Graphical abstract: Rare earth-metal cluster complexes with endohedral transition metal atoms (TR{sub 6}) may connect via common edges or faces to form dimers, trimers, tetramers and pentamers of which the tetramers are the most prolific. Packing effects and electron counts play an important role. - Highlights: • Rare-earth metal cluster complexes encapsulate transition metal atoms. • Oligomers are built via connection of octahedral clusters via common edges or faces. • Dimers through pentamers with closed structures are known. • Tetramers including a tetrahedron of endohedral atoms are the most prolific.

  12. Exploring the Optical and Morphological Properties of Ag and Ag/TiO2 Nanocomposites Grown by Supersonic Cluster Beam Deposition

    Directory of Open Access Journals (Sweden)

    Emanuele Cavaliere

    2017-12-01

    Full Text Available Nanocomposite systems and nanoparticle (NP films are crucial for many applications and research fields. The structure-properties correlation raises complex questions due to the collective structure of these systems, often granular and porous, a crucial factor impacting their effectiveness and performance. In this framework, we investigate the optical and morphological properties of Ag nanoparticles (NPs films and of Ag NPs/TiO2 porous matrix films, one-step grown by supersonic cluster beam deposition. Morphology and structure of the Ag NPs film and of the Ag/TiO2 (Ag/Ti 50-50 nanocomposite are related to the optical properties of the film employing spectroscopic ellipsometry (SE. We employ a simple Bruggeman effective medium approximation model, corrected by finite size effects of the nano-objects in the film structure to gather information on the structure and morphology of the nanocomposites, in particular porosity and average NPs size for the Ag/TiO2 NP film. Our results suggest that SE is a simple, quick and effective method to measure porosity of nanoscale films and systems, where standard methods for measuring pore sizes might not be applicable.

  13. Electronic structure of vacancies and vacancy clusters in simple metals

    International Nuclear Information System (INIS)

    Manninen, M.; Nieminen, R.M.

    1978-05-01

    The self-consistent density functional approach has been applied in a study of electronic properties of vacancies and vacancy clusters in simple metals. The electron density profiles and potentials have been obtained for spherical voids of varying size. The formation energies and residual resistivities have been calculated for vacancies using both perturbational and variational inclusion of discrete lattice effects. The relation of the void properties to the plane surface ones is studied, and the inadequacy of the jellium-based methods to high-index faces is demonstrated. (author)

  14. Damage clustering in metals: Importance, advances and challenges

    International Nuclear Information System (INIS)

    Nordlund, K.; Sand, A.E.; Granberg, F.; Levo, E.; Djurabekova, F.

    2016-01-01

    The damage produced in metals has traditionally been primarily characterized in terms of the total damage production, which typically is first estimated with the dpa number. As discussed in previous meetings of this CRP, the dpa is not actually very well suited for typical dense metals, since the number it gives is typically about 3 times larger than the number of actual defects produced, and 30 times smaller than the actual number of defects produced. Hence we developed the improved arc-dpa and rpa standards, that give in a simple analytical form a defect number that does correspond well to MD and experimental data. Section 2 summarizes the development of the arc-dpa and rpa standards. In sections 3 and 4 we discuss the role of damage clustering in damage production

  15. Spectra of matrix isolated metal atoms and clusters

    International Nuclear Information System (INIS)

    Meyer, B.

    1977-01-01

    The matrix isolation spectra of all of the 40 presently known atomic metal species show strong matrix effects. The transition energies are increased, and the bands are broad and exhibit splitting of sublevels which are degenerate in the gas phase. Several models have been proposed for splitting of levels, but basic effects are not yet understood, and spectra cannot be predicted, yet it is possible to correlate gas phase and matrix in many of the systems. Selective production of diatomics and clusters via thermal and optical annealing of atomic species can be monitored by optical spectra, but yields spectroscopically complex systems which, however, especially in the case of transition metals, can be used as precursors in novel chemical reactions. A combination of absorption, emission, ir, Raman, ESR, and other methods is now quickly yielding data which will help correlate the increasing wealth of existing data. 55 references, 6 figures

  16. Supersonic compressor

    Science.gov (United States)

    Roberts, II, William Byron; Lawlor, Shawn P.; Breidenthal, Robert E.

    2016-04-12

    A supersonic compressor including a rotor to deliver a gas at supersonic conditions to a diffuser. The diffuser includes a plurality of aerodynamic ducts that have converging and diverging portions, for deceleration of gas to subsonic conditions and then for expansion of subsonic gas, to change kinetic energy of the gas to static pressure. The aerodynamic ducts include vortex generating structures for controlling boundary layer, and structures for changing the effective contraction ratio to enable starting even when the aerodynamic ducts are designed for high pressure ratios, and structures for boundary layer control. In an embodiment, aerodynamic ducts are provided having an aspect ratio of in excess of two to one, when viewed in cross-section orthogonal to flow direction at an entrance to the aerodynamic duct.

  17. Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts.

    Science.gov (United States)

    Jiménez-Halla, J Oscar C; Matito, Eduard; Blancafort, Lluís; Robles, Juvencio; Solà, Miquel

    2009-12-01

    In this work, we analyze the geometry and electronic structure of the [X(n)M(3)](n-2) species (M = Be, Mg, and Ca; X = Li, Na, and K; n = 0, 1, and 2), with special emphasis on the electron delocalization properties and aromaticity of the cyclo-[M(3)](2-) unit. The cyclo-[M(3)](2-) ring is held together through a three-center two-electron bond of sigma-character. Interestingly, the interaction of these small clusters with alkali metals stabilizes the cyclo-[M(3)](2-) ring and leads to a change from sigma-aromaticity in the bound state of the cyclo-[M(3)](2-) to pi-aromaticity in the XM(3) (-) and X(2)M(3) metallic clusters. Our results also show that the aromaticity of the cyclo-[M(3)](2-) unit in the X(2)M(3) metallic clusters depends on the nature of X and M. Moreover, we explored the possibility for tuning the aromaticity by simply moving X perpendicularly to the center of the M(3) ring. The Na(2)Mg(3), Li(2)Mg(3), and X(2)Ca(3) clusters undergo drastic aromaticity alterations when changing the distance from X to the center of the M(3) ring, whereas X(2)Be(3) and K(2)Mg(3) keep its aromaticity relatively constant along this process. (c) 2009 Wiley Periodicals, Inc.

  18. Order and chaos in nuclear and metal cluster deformation

    International Nuclear Information System (INIS)

    Radu, S.

    1995-08-01

    The vast amount of nuclear and metal cluster data indicates that shell structure and deformation are two simultaneous properties. A conflicting situation is therefore encountered as the shell structure, a firm expression of order, is apparently not compatible with the non-integrable nature of the models incorporating deformation. The main issue covered in this thesis is the intricate connection between deformation and chaotic behaviour in deformation models pertinent to nuclear structure and metal cluster physics. It is shown that, at least in some cases, it is possible to reconcile the occurrence of shell structure with non-integrability. The coupling of an axially deformed harmonic oscillator to an axially symmetric octupole term renders the problem non-integrable. The chaotic character of the motion is strongly dependent on the type of deformation, in that a prolate shape shows virtually no chaos, while in an oblate case the motion exhibits fully developed chaos when the octupole term is switched on. Whereas the problem is non-integrable, the quantum mechanical spectrum nevertheless shows some shell structure in the prolate case for particular, yet fairly large octupole strengths; for spherical or oblate deformation the shell structure disappears. This result is explained in terms of classical periodic orbits which are found by employing the 'removal of resonances method'. Particular emphasis is put on the effect of the hexadecapole deformation which is important in fission processes. The combined effect of octupole and hexadecapole deformation leads to important conclusions for the experimental work as a high degree of ambiguity is signaled for the interpretation of data. The ambiguity results from the discovery of a mutual cancellation of the octupole and hexadecapole deformation in prolate superdeformed systems. The phenomenological Nilsson model is treated in a similar way. It is argued that while in nuclei it produces good results for the low-lying levels

  19. Sulphur in the metal poor globular cluster NGC 6397

    Science.gov (United States)

    Koch, A.; Caffau, E.

    2011-10-01

    Sulphur (S) is a non-refractory α-element that is not locked into dust grains in the interstellar medium. Thus no correction to the measured, interstellar sulphur abundance is needed and it can be readily compared to the S content in stellar photospheres. Here we present the first measurement of sulphur in the metal poor globular cluster (GC) NGC 6397, as detected in a MIKE/Magellan high signal-to-noise, high-resolution spectrum of one red giant star. While abundance ratios of sulphur are available for a larger number of Galactic stars down to an [Fe/H] of ~ -3.5 dex, no measurements in globular clusters more metal poor than -1.5 dex have been reported so far. We find aNLTE, 3-D abundance ratio of [S/Fe] = +0.52 ± 0.20 (stat.) ± 0.08 (sys.), based on theS I, Multiplet 1 line at 9212.8 Å. This value is consistent with a Galactic halo plateau as typical of other α-elements in GCs and field stars, but we cannot rule out its membership with a second branch of increasing [S/Fe] with decreasing [Fe/H], claimed in the literature, which leads to a large scatter at metallicities around - 2 dex. The [S/Mg] and [S/Ca] ratios in this star are compatible with a Solar value to within the (large) uncertainties. Despite the very large scatter in these ratios across Galactic stars between literature samples, this indicates that sulphur traces the chemical imprints of the other α-elements in metal poor GCs. Combined with its moderate sodium abundance ([S/Na]NLTE = 0.48), the [S/Fe] ratio in this GC extends a global, positive S-Na correlation that is not seen in field stars and might indicate that proton-capture reactions contributed to the production of sulphur in the (metal poor) early GC environments. This paper includes data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile.

  20. Structure and Mobility of Metal Clusters in MOFs: Au, Pd, and AuPd Clusters in MOF-74

    DEFF Research Database (Denmark)

    Vilhelmsen, Lasse; Walton, Krista S.; Sholl, David S.

    2012-01-01

    is just as important for nanocluster adsorption as open Zn or Mg metal sites. Using the large number of clusters generated by the GA, we developed a systematic method for predicting the mobility of adsorbed clusters. Through the investigation of diffusion paths a relationship between the cluster......Understanding the adsorption and mobility of metal–organic framework (MOF)-supported metal nanoclusters is critical to the development of these catalytic materials. We present the first theoretical investigation of Au-, Pd-, and AuPd-supported clusters in a MOF, namely MOF-74. We combine density...... functional theory (DFT) calculations with a genetic algorithm (GA) to reliably predict the structure of the adsorbed clusters. This approach allows comparison of hundreds of adsorbed configurations for each cluster. From the investigation of Au8, Pd8, and Au4Pd4 we find that the organic part of the MOF...

  1. Atomically precise arrays of fluorescent silver clusters: a modular approach for metal cluster photonics on DNA nanostructures.

    Science.gov (United States)

    Copp, Stacy M; Schultz, Danielle E; Swasey, Steven; Gwinn, Elisabeth G

    2015-03-24

    The remarkable precision that DNA scaffolds provide for arraying nanoscale optical elements enables optical phenomena that arise from interactions of metal nanoparticles, dye molecules, and quantum dots placed at nanoscale separations. However, control of ensemble optical properties has been limited by the difficulty of achieving uniform particle sizes and shapes. Ligand-stabilized metal clusters offer a route to atomically precise arrays that combine desirable attributes of both metals and molecules. Exploiting the unique advantages of the cluster regime requires techniques to realize controlled nanoscale placement of select cluster structures. Here we show that atomically monodisperse arrays of fluorescent, DNA-stabilized silver clusters can be realized on a prototypical scaffold, a DNA nanotube, with attachment sites separated by <10 nm. Cluster attachment is mediated by designed DNA linkers that enable isolation of specific clusters prior to assembly on nanotubes and preserve cluster structure and spectral purity after assembly. The modularity of this approach generalizes to silver clusters of diverse sizes and DNA scaffolds of many types. Thus, these silver cluster nano-optical elements, which themselves have colors selected by their particular DNA templating oligomer, bring unique dimensions of control and flexibility to the rapidly expanding field of nano-optics.

  2. Contribution of radiation chemistry to the study of metal clusters.

    Science.gov (United States)

    Belloni, J

    1998-11-01

    Radiation chemistry dates from the discovery of radioactivity one century ago by H. Becquerel and P. and M. Curie. The complex phenomena induced by ionizing radiation have been explained progressively. At present, the methodology of radiation chemistry, particularly in the pulsed mode, provides a powerful means to study not only the early processes after the energy absorption, but more generally a broad diversity of chemical and biochemical reaction mechanisms. Among them, the new area of metal cluster chemistry illustrates how radiation chemistry contributed to this field in suggesting fruitful original concepts, in guiding and controlling specific syntheses, and in the detailed elaboration of the mechanisms of complex and long-unsolved processes, such as the dynamics of nucleation, electron transfer catalysis and photographic development.

  3. Electroless deposition of metal nanoparticle clusters: Effect of pattern distance

    KAUST Repository

    Gentile, Francesco

    2014-04-03

    Electroless plating is a deposition technique in which metal ions are reduced as atoms on specific patterned sites of a silicon surface to form metal nanoparticles (NPs) aggregates with the desired characteristics. Those NPs, in turn, can be used as constituents of surface enhanced Raman spectroscopy substrates, which are devices where the electromagnetic field and effects thereof are giantly amplified. Here, the electroless formation of nanostructures was studied as a function of the geometry of the substrate. High resolution, electron beam lithography techniques were used to obtain nonperiodic arrays of circular patterns, in which the spacing of patterns was varied over a significant range. In depositing silver atoms in those circuits, the authors found that the characteristics of the aggregates vary with the pattern distance. When the patterns are in close proximity, the interference of different groups of adjacent aggregates cannot be disregarded and the overall growth is reduced. Differently from this, when the patterns are sufficiently distant, the formation of metal clusters of NPs is independent on the spacing of the patterns. For the particular subset of parameters used here, this critical correlation distance is about three times the pattern diameter. These findings were explained within the framework of a diffusion limited aggregation model, which is a simulation method that can decipher the formation of nanoaggregates at an atomic level. In the discussion, the authors showed how this concept can be used to fabricate ordered arrays of silver nanospheres, where the size of those spheres may be regulated on varying the pattern distance, for applications in biosensing and single molecule detection.

  4. Electroless deposition of metal nanoparticle clusters: Effect of pattern distance

    KAUST Repository

    Gentile, Francesco; Laura Coluccio, Maria; Candeloro, Patrizio; Barberio, Marianna; Perozziello, Gerardo; Francardi, Marco; Di Fabrizio, Enzo M.

    2014-01-01

    Electroless plating is a deposition technique in which metal ions are reduced as atoms on specific patterned sites of a silicon surface to form metal nanoparticles (NPs) aggregates with the desired characteristics. Those NPs, in turn, can be used as constituents of surface enhanced Raman spectroscopy substrates, which are devices where the electromagnetic field and effects thereof are giantly amplified. Here, the electroless formation of nanostructures was studied as a function of the geometry of the substrate. High resolution, electron beam lithography techniques were used to obtain nonperiodic arrays of circular patterns, in which the spacing of patterns was varied over a significant range. In depositing silver atoms in those circuits, the authors found that the characteristics of the aggregates vary with the pattern distance. When the patterns are in close proximity, the interference of different groups of adjacent aggregates cannot be disregarded and the overall growth is reduced. Differently from this, when the patterns are sufficiently distant, the formation of metal clusters of NPs is independent on the spacing of the patterns. For the particular subset of parameters used here, this critical correlation distance is about three times the pattern diameter. These findings were explained within the framework of a diffusion limited aggregation model, which is a simulation method that can decipher the formation of nanoaggregates at an atomic level. In the discussion, the authors showed how this concept can be used to fabricate ordered arrays of silver nanospheres, where the size of those spheres may be regulated on varying the pattern distance, for applications in biosensing and single molecule detection.

  5. Entrapment of metal clusters in metal-organic framework channels by extended hooks anchored at open metal sites.

    Science.gov (United States)

    Zheng, Shou-Tian; Zhao, Xiang; Lau, Samuel; Fuhr, Addis; Feng, Pingyun; Bu, Xianhui

    2013-07-17

    Reported here are the new concept of utilizing open metal sites (OMSs) for architectural pore design and its practical implementation. Specifically, it is shown here that OMSs can be used to run extended hooks (isonicotinates in this work) from the framework walls to the channel centers to effect the capture of single metal ions or clusters, with the concurrent partitioning of the large channel spaces into multiple domains, alteration of the host-guest charge relationship and associated guest-exchange properties, and transfer of OMSs from the walls to the channel centers. The concept of the extended hook, demonstrated here in the multicomponent dual-metal and dual-ligand system, should be generally applicable to a range of framework types.

  6. Magnetic properties of free alkali and transition metal clusters

    International Nuclear Information System (INIS)

    Heer, W. de; Milani, P.; Chatelain, A.

    1991-01-01

    The Stern-Gerlach deflections of small alkali clusters (N<6) and iron clusters (10< N<500) show that the paramagnetic alkali clusters always have a nondeflecting component, while the iron clusters always deflect in the high field direction. Both of these effects appear to be related to spin relaxation however in the case of alkali clusters it is shown that they are in fact caused by avoided level crossing in the Zeeman diagram. For alkali clusters the relatively weak couplings cause reduced magnetic moments where levels cross. For iron clusters however the total spin is strongly coupled to the molecular framework. Consequently this coupling is responsible for avoided level crossing which ultimately cause the total energy of the cluster to decrease with increasing magnetic field so that the iron clusters will deflect in one direction when introduced in an inhomogeneous magnetic field. Experiment and theory are discussed for both cases. (orig.)

  7. Plasmon resonances in large noble-metal clusters

    International Nuclear Information System (INIS)

    Soennichsen, C; Franzl, T; Wilk, T; Plessen, G von; Feldmann, J

    2002-01-01

    We investigate the optical properties of spherical gold and silver clusters with diameters of 20 nm and larger. The light scattering spectra of individual clusters are measured using dark-field microscopy, thus avoiding inhomogeneous broadening effects. The dipolar plasmon resonances of the clusters are found to have nearly Lorentzian line shapes. With increasing size we observe polaritonic red-shifts of the plasmon line and increased radiation damping for both gold and silver clusters. Apart from some cluster-to-cluster variations of the plasmon lines, agreement with Mie theory is reasonably good for the gold clusters. However, it is less satisfactory for the silver clusters, possibly due to cluster faceting or chemical effects

  8. Shell structures and chaos in nuclei and large metallic clusters

    International Nuclear Information System (INIS)

    Heiss, W.D.; University of the Witwatersrand, Johannesburg; Nazmitdinov, R.G.; Radu, S.; University of the Witwatersrand, Johannesburg

    1995-01-01

    A reflection-asymmetric deformed oscillator potential is analyzed from the classical and quantum mechanical point of view. The connection between occurrence of shell structures and classical periodic orbits is studied using the ''removal of resonances method'' in a classical analysis. In this approximation, the effective single particle potential becomes separable and the frequencies of the classical trajectories are easily determined. It turns out that the winding numbers calculated in this way are in good agreement with the ones found from the corresponding quantum mechanical spectrum using the particle number dependence of the fluctuating part of the total energy. When the octupole term is switched on it is found that prolate shapes are stable against chaos and can exhibit shells where spherical and oblate cases become chaotic. An attempt is made to explain this difference in the quantum mechanical context by looking at the distribution of exceptional points which results from the matrix structure of the respective Hamiltonians. In a similar way we analyze the modified Nilsson model and discuss its consequences for metallic clusters. (orig.)

  9. Color-magnitude diagrams for six metal-rich, low-latitude globular clusters

    Science.gov (United States)

    Armandroff, Taft E.

    1988-01-01

    Colors and magnitudes for stars on CCD frames for six metal-rich, low-latitude, previously unstudied globular clusters and one well-studied, metal-rich cluster (47 Tuc) have been derived and color-magnitude diagrams have been constructed. The photometry for stars in 47 Tuc are in good agreement with previous studies, while the V magnitudes of the horizontal-branch stars in the six program clusters do not agree with estimates based on secondary methods. The distances to these clusters are different from prior estimates. Redding values are derived for each program cluster. The horizontal branches of the program clusters all appear to lie entirely redwards of the red edge of the instability strip, as is normal for their metallicities.

  10. Magnetic behavior of clusters of ferromagnetic transition metals

    DEFF Research Database (Denmark)

    Khanna, S. N.; Linderoth, Søren

    1991-01-01

    The effective magnetic moments of small iron and cobalt clusters have been calculated by assuming that the clusters undergo superparamagnetic relaxation. The effective moments per atom are found to be much below the bulk values, even at low temperatures (100 K). They increase with particle size a...... moments in small clusters compared to bulk as being due to melting of surface spins....

  11. Chemisorption on size-selected metal clusters: activation barriers and chemical reactions for deuterium and aluminum cluster ions

    International Nuclear Information System (INIS)

    Jarrold, M.F.; Bower, J.E.

    1988-01-01

    The authors describe a new approach to investigating chemisorption on size-selected metal clusters. This approach involves investigating the collision-energy dependence of chemisorption using low-energy ion beam techniques. The method provides a direct measure of the activation barrier for chemisorption and in some cases an estimate of the desorption energy as well. They describe the application of this technique to chemisorption of deuterium on size-selected aluminum clusters. The activation barriers increase with cluster size (from a little over 1 eV for Al 10 + to around 2 eV for Al 27 + ) and show significant odd-even oscillations. The activation barriers for the clusters with an odd number of atoms are larger than those for the even-numbered clusters. In addition to chemisorption of deuterium onto the clusters, chemical reactions were observed, often resulting in cluster fragmentation. The main products observed were Al/sub n-1/D + , Al/sub n-2/ + , and Al + for clusters with n + and Al/sub n-1/D + for the larger clusters

  12. Low Density Supersonic Decelerators

    Data.gov (United States)

    National Aeronautics and Space Administration — The Low-Density Supersonic Decelerator project will demonstrate the use of inflatable structures and advanced parachutes that operate at supersonic speeds to more...

  13. Living Colloidal Metal Particles from Solvated Metal Atoms. Clustering of Metal Atoms in Organic Media 15.

    Science.gov (United States)

    1986-09-23

    attributed to these solutions, especially toward heart disease. And in 1618 Antoni published Panacea Aurea : Auro Potabile 4 which centered on the...probably a slow process (discussed next under the electrophoresis section ). Electrophoresis: Electrophoresis, the movement of charged particles in...electrical properties. Experimental Section Preparation of a Typical Au-Acetone Colloid The metal atom reactor has been described previo sly. 3 9 ’ 5 9 ’ 6 0

  14. Size dependent magnetism of mass selected deposited transition metal clusters

    International Nuclear Information System (INIS)

    Lau, T.

    2002-05-01

    The size dependent magnetic properties of small iron clusters deposited on ultrathin Ni/Cu(100) films have been studied with circularly polarised synchrotron radiation. For X-ray magnetic circular dichroism studies, the magnetic moments of size selected clusters were aligned perpendicular to the sample surface. Exchange coupling of the clusters to the ultrathin Ni/Cu(100) film determines the orientation of their magnetic moments. All clusters are coupled ferromagnetically to the underlayer. With the use of sum rules, orbital and spin magnetic moments as well as their ratios have been extracted from X-ray magnetic circular dichroism spectra. The ratio of orbital to spin magnetic moments varies considerably as a function of cluster size, reflecting the dependence of magnetic properties on cluster size and geometry. These variations can be explained in terms of a strongly size dependent orbital moment. Both orbital and spin magnetic moments are significantly enhanced in small clusters as compared to bulk iron, although this effect is more pronounced for the spin moment. Magnetic properties of deposited clusters are governed by the interplay of cluster specific properties on the one hand and cluster-substrate interactions on the other hand. Size dependent variations of magnetic moments are modified upon contact with the substrate. (orig.)

  15. Comparison between XAS, AWAXS and DAFS applied to nanometer scale supported metallic clusters. Pt.1; monometallic clusters

    International Nuclear Information System (INIS)

    Bazin, D.C.; Sayers, D.A.

    1993-01-01

    The structural information found using three techniques related to synchrotron radiation are compared. XAS (X-ray Absorption Spectroscopy), AWAXS (Anomalous Wide Angle X-ray Scattering) and DAFS (Diffraction Anomalous Fine Structure) are applied to nanometer scale metallic clusters. (author)

  16. An efficient laser vaporization source for chemically modified metal clusters characterized by thermodynamics and kinetics

    Science.gov (United States)

    Masubuchi, Tsugunosuke; Eckhard, Jan F.; Lange, Kathrin; Visser, Bradley; Tschurl, Martin; Heiz, Ulrich

    2018-02-01

    A laser vaporization cluster source that has a room for cluster aggregation and a reactor volume, each equipped with a pulsed valve, is presented for the efficient gas-phase production of chemically modified metal clusters. The performance of the cluster source is evaluated through the production of Ta and Ta oxide cluster cations, TaxOy+ (y ≥ 0). It is demonstrated that the cluster source produces TaxOy+ over a wide mass range, the metal-to-oxygen ratio of which can easily be controlled by changing the pulse duration that influences the amount of reactant O2 introduced into the cluster source. Reaction kinetic modeling shows that the generation of the oxides takes place under thermalized conditions at less than 300 K, whereas metal cluster cores are presumably created with excess heat. These characteristics are also advantageous to yield "reaction intermediates" of interest via reactions between clusters and reactive molecules in the cluster source, which may subsequently be mass selected for their reactivity measurements.

  17. Mass spectrometric probes of metal cluster distributions and metastable ion decay

    International Nuclear Information System (INIS)

    Parks, E.K.; Liu, K.; Cole, S.K.; Riley, S.J.

    1988-01-01

    The study of metal clusters has provided both an opportunity and a challenge to the application of mass spectrometry. These days the most often-used technique for cluster generation - laser vaporization - leads to extensive distributions of cluster sizes, from one to perhaps thousands of atoms, and most studies reported to date use excimer laser ionization and time-of-flight mass spectrometry for cluster detection. Our apparatus is a simple one-stage TOF design employing Wiley-McLauren spatial focusing and a one-meter drift tube. In a second apparatus employing a pulsed valve in the cluster source, we see asymmetric broadening of niobium cluster mass peaks under multiphoton ionization conditions, indicating metastable decay of parent cluster ions. Other studies of niobium clusters have shown no such asymmetric peaks. 2 figs

  18. Energy Characteristics of Small Metal Clusters Containing Vacancies

    Science.gov (United States)

    Reva, V. I.; Pogosov, V. V.

    2018-02-01

    Self-consistent calculations of spatial distributions of electrons, potentials, and energies of dissociation, cohesion, vacancy formation, and electron attachment, as well as the ionization potential of solid Al N , Na N clusters ( N ≥ 254), and clusters containing a vacancy ( N ≥ 12) have been performed using a model of stable jellium. The contribution of a monovacancy to the energy of the cluster, the size dependences of the characteristics, and their asymptotic forms have been considered. The calculations have been performed on the SKIT-3 cluster at the Glushkov Institute of Cybernetics, National Academy of Sciences of Ukraine (Rpeak = 7.4 Tflops).

  19. 25. Steenbock symposium -- Biosynthesis and function of metal clusters for enzymes: Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-12-31

    This symposium was held June 10--14, 1997 in Madison, Wisconsin. The purpose of this conference was to provide a multidisciplinary forum for exchange of state-of-the-art information on biochemistry of enzymes that have an affinity for metal clusters. Attention is focused on the following: metal clusters involved in energy conservation and remediation; tungsten, molybdenum, and cobalt-containing enzymes; Fe proteins, and Mo-binding proteins; nickel enzymes; and nitrogenase.

  20. Properties and origin of the old, metal rich, star cluster, NGC 6791

    OpenAIRE

    Carraro, Giovanni

    2013-01-01

    In this contribution I summarize the unique properties of the old, metal rich, star cluster NGC 6791, with particular emphasis on its population of extreme blue horizontal branch stars. I then conclude providing my personal view on the origin of this fascinating star cluster.

  1. Structure Determination of Anionic Metal Clusters via Infrared Resonance Enhanced Multiple Photon Electron Detachment Spectroscopy

    NARCIS (Netherlands)

    Haertelt, M.; Lapoutre, V. J. F.; Bakker, J. M.; Redlich, B.; Harding, D. J.; Fielicke, A.; Meijer, G.

    2011-01-01

    We report vibrational spectra of anionic metal clusters, measured via electron detachment following resonant absorption of multiple infrared photons. To facilitate the sequential absorption of the required large number of photons, the cluster beam interacts with the infrared radiation inside the

  2. Van der Waals coefficients for alkali metal clusters and their size

    Indian Academy of Sciences (India)

    In this paper we employ the hydrodynamic formulation of time-dependent density functional theory to obtain the van der Waals coefficients 6 and 8 of alkali metal clusters of various sizes including very large clusters. Such calculations become computationally very demanding in the orbital-based Kohn-Sham formalism, ...

  3. Effect of functionalization of boron nitride flakes by main group metal clusters on their optoelectronic properties

    Science.gov (United States)

    Chakraborty, Debdutta; Chattaraj, Pratim Kumar

    2017-10-01

    The possibility of functionalizing boron nitride flakes (BNFs) with some selected main group metal clusters, viz. OLi4, NLi5, CLi6, BLI7 and Al12Be, has been analyzed with the aid of density functional theory (DFT) based computations. Thermochemical as well as energetic considerations suggest that all the metal clusters interact with the BNF moiety in a favorable fashion. As a result of functionalization, the static (first) hyperpolarizability (β ) values of the metal cluster supported BNF moieties increase quite significantly as compared to that in the case of pristine BNF. Time dependent DFT analysis reveals that the metal clusters can lower the transition energies associated with the dominant electronic transitions quite significantly thereby enabling the metal cluster supported BNF moieties to exhibit significant non-linear optical activity. Moreover, the studied systems demonstrate broad band absorption capability spanning the UV-visible as well as infra-red domains. Energy decomposition analysis reveals that the electrostatic interactions principally stabilize the metal cluster supported BNF moieties.

  4. Metallicity Variations in the Type II Globular Cluster NGC 6934

    Science.gov (United States)

    Marino, A. F.; Yong, D.; Milone, A. P.; Piotto, G.; Lundquist, M.; Bedin, L. R.; Chené, A.-N.; Da Costa, G.; Asplund, M.; Jerjen, H.

    2018-06-01

    The Hubble Space Telescope photometric survey of Galactic globular clusters (GCs) has revealed a peculiar “chromosome map” for NGC 6934. In addition to a typical sequence, similar to that observed in Type I GCs, NGC 6934 displays additional stars on the red side, analogous to the anomalous Type II GCs, as defined in our previous work. We present a chemical abundance analysis of four red giants in this GC. Two stars are located on the chromosome map sequence common to all GCs, and another two lie on the additional sequence. We find (i) star-to-star Fe variations, with the two anomalous stars being enriched by ∼0.2 dex. Because of our small-size sample, this difference is at the ∼2.5σ level. (ii) There is no evidence for variations in the slow neutron-capture abundances over Fe, at odds with what is often observed in anomalous Type II GCs, e.g., M 22 and ω Centauri (iii) no large variations in light elements C, O, and Na, compatible with locations of the targets on the lower part of the chromosome map where such variations are not expected. Since the analyzed stars are homogeneous in light elements, the only way to reproduce the photometric splits on the sub-giant (SGB) and the red giant (RGB) branches is to assume that red RGB/faint SGB stars are enhanced in [Fe/H] by ∼0.2. This fact corroborates the spectroscopic evidence of a metallicity variation in NGC 6934. The observed chemical pattern resembles only partially the other Type II GCs, suggesting that NGC 6934 might belong either to a third class of GCs, or be a link between normal Type I and anomalous Type II GCs. Based on observations with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by AURA, Inc., under NASA contract NAS 5-26555. This paper includes data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile, and Gemini Telescope at Canada–France–Hawaii Telescope.

  5. Metal Sulfide Cluster Complexes and their Biogeochemical Importance in the Environment

    International Nuclear Information System (INIS)

    Luther, George W.; Rickard, David T.

    2005-01-01

    Aqueous clusters of FeS, ZnS and CuS constitute a major fraction of the dissolved metal load in anoxic oceanic, sedimentary, freshwater and deep ocean vent environments. Their ubiquity explains how metals are transported in anoxic environmental systems. Thermodynamic and kinetic considerations show that they have high stability in oxic aqueous environments, and are also a significant fraction of the total metal load in oxic river waters. Molecular modeling indicates that the clusters are very similar to the basic structural elements of the first condensed phase forming from aqueous solutions in the Fe-S, Zn-S and Cu-S systems. The structure of the first condensed phase is determined by the structure of the cluster in solution. This provides an alternative explanation of Ostwald's Rule, where the most soluble, metastable phases form before the stable phases. For example, in the case of FeS, we showed that the first condensed phase is nanoparticulate, metastable mackinawite with a particle size of 2 nm consisting of about 150 FeS subunits, representing the end of a continuum between aqueous FeS clusters and condensed material. These metal sulfide clusters and nanoparticles are significant in biogeochemistry. Metal sulfide clusters reduce sulfide and metal toxicity and help drive ecology. FeS cluster formation drives vent ecology and AgS cluster formation detoxifies Ag in Daphnia magna neonates. We also note a new reaction between FeS and DNA and discuss the potential role of FeS clusters in denaturing DNA

  6. Formation of metal clusters in halloysite clay nanotubes

    Science.gov (United States)

    Vinokurov, Vladimir A.; Stavitskaya, Anna V.; Chudakov, Yaroslav A.; Ivanov, Evgenii V.; Shrestha, Lok Kumar; Ariga, Katsuhiko; Darrat, Yusuf A.; Lvov, Yuri M.

    2017-12-01

    We developed ceramic core-shell materials based on abundant halloysite clay nanotubes with enhanced heavy metal ions loading through Schiff base binding. These clay tubes are formed by rolling alumosilicate sheets and have diameter of c.50 nm, a lumen of 15 nm and length 1 μm. This allowed for synthesis of metal nanoparticles at the selected position: (1) on the outer surface seeding 3-5 nm metal particles on the tubes; (2) inside the tube's central lumen resulting in 10-12 nm diameter metal cores shelled with ceramic wall; and (3) smaller metal nanoparticles intercalated in the tube's wall allowing up to 9 wt% of Ru, and Ag loading. These composite materials have high surface area providing a good support for catalytic nanoparticles, and can also be used for sorption of metal ions from aqueous solutions.

  7. Tracing the Chemical Evolution of Metal-rich Galactic Bulge Globular Clusters

    Science.gov (United States)

    Munoz Gonzalez, Cesar; Saviane, Ivo; Geisler, Doug; Villanova, Sandro

    2018-01-01

    We present in this poster the metallicity characterization of the four metal rich Bulge Galactic Gobular Clusters, which have controversial metallicities. We analyzed our high-resolution spectra (using UVES-580nm and GIRAFFE-HR13 setups) for a large sample of RGB/AGB targets in each cluster in order to measure their metallicity and prove or discard the iron spread hypothesis. We have also characterized chemically stars with potentially different iron content by measuring light (O, Na, Mg, Al), alpha (Si, Ca, Ti), iron–peak (V, Cr, Ni, Mn) and s and r process (Y, Zr, Ba, Eu) elements. We have identified possible channels responsible for the chemical heterogeneity of the cluster populations, like AGB or massive fast-rotating stars contamination, or SN explosion. Also, we have analyzed the origin and evolution of these bulge GCs and their connection with the bulge itself.

  8. Dispersed metal cluster catalysts by design. Synthesis, characterization, structure, and performance

    Energy Technology Data Exchange (ETDEWEB)

    Arslan, Ilke [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Dixon, David A. [Univ. of Alabama, Tuscaloosa, AL (United States); Gates, Bruce C. [Univ. of California, Davis, CA (United States); Katz, Alexander [Univ. of California, Berkeley, CA (United States)

    2015-09-30

    To understand the class of metal cluster catalysts better and to lay a foundation for the prediction of properties leading to improved catalysts, we have synthesized metal catalysts with well-defined structures and varied the cluster structures and compositions systematically—including the ligands bonded to the metals. These ligands include supports and bulky organics that are being tuned to control both the electron transfer to or from the metal and the accessibility of reactants to influence catalytic properties. We have developed novel syntheses to prepare these well-defined catalysts with atomic-scale control the environment by choice and placement of ligands and applied state-of-the art spectroscopic, microscopic, and computational methods to determine their structures, reactivities, and catalytic properties. The ligands range from nearly flat MgO surfaces to enveloping zeolites to bulky calixarenes to provide controlled coverages of the metal clusters, while also enforcing unprecedented degrees of coordinative unsaturation at the metal site—thereby facilitating bonding and catalysis events at exposed metal atoms. With this wide range of ligand properties and our arsenal of characterization tools, we worked to achieve a deep, fundamental understanding of how to synthesize robust supported and ligand-modified metal clusters with controlled catalytic properties, thereby bridging the gap between active site structure and function in unsupported and supported metal catalysts. We used methods of organometallic and inorganic chemistry combined with surface chemistry for the precise synthesis of metal clusters and nanoparticles, characterizing them at various stages of preparation and under various conditions (including catalytic reaction conditions) and determining their structures and reactivities and how their catalytic properties depend on their compositions and structures. Key characterization methods included IR, NMR, and EXAFS spectroscopies to identify

  9. First-principles studies on graphene-supported transition metal clusters

    International Nuclear Information System (INIS)

    Sahoo, Sanjubala; Khanna, Shiv N.; Gruner, Markus E.; Entel, Peter

    2014-01-01

    Theoretical studies on the structure, stability, and magnetic properties of icosahedral TM 13 (TM = Fe, Co, Ni) clusters, deposited on pristine (defect free) and defective graphene sheet as well as graphene flakes, have been carried out within a gradient corrected density functional framework. The defects considered in our study include a carbon vacancy for the graphene sheet and a five-membered and a seven-membered ring structures for graphene flakes (finite graphene chunks). It is observed that the presence of defect in the substrate has a profound influence on the electronic structure and magnetic properties of graphene-transition metal complexes, thereby increasing the binding strength of the TM cluster on to the graphene substrate. Among TM 13 clusters, Co 13 is absorbed relatively more strongly on pristine and defective graphene as compared to Fe 13 and Ni 13 clusters. The adsorbed clusters show reduced magnetic moment compared to the free clusters

  10. Computer simulations of small semiconductor and metal clusters

    International Nuclear Information System (INIS)

    Andreoni, W.

    1991-01-01

    A brief survey is presented of recent simulations of small clusters, made with both ab-initio and classical approaches, with particular emphasis on the application of the Car-Parrinello method. The discussion mainly focusses on the structural properties of a variety of materials and on the effects of temperature. (orig.)

  11. Metal cluster fission: jellium model and Molecular dynamics simulations

    DEFF Research Database (Denmark)

    Lyalin, Andrey G.; Obolensky, Oleg I.; Solov'yov, Ilia

    2004-01-01

    Fission of doubly charged sodium clusters is studied using the open-shell two-center deformed jellium model approximation and it ab initio molecular dynamic approach accounting for all electrons in the system. Results of calculations of fission reactions Na_10^2+ --> Na_7^+ + Na_3^+ and Na_18...

  12. Measuring age differences among globular clusters having similar metallicities - A new method and first results

    International Nuclear Information System (INIS)

    Vandenberg, D.A.; Bolte, M.; Stetson, P.B.

    1990-01-01

    A color-difference technique for estimating the relative ages of globular clusters with similar chemical compositions on the basis of their CM diagrams is described and demonstrated. The theoretical basis and implementation of the procedure are explained, and results for groups of globular clusters with m/H = about -2, -1.6, and -1.3, and for two special cases (Palomar 12 and NGC 5139) are presented in extensive tables and graphs and discussed in detail. It is found that the more metal-deficient globular clusters are nearly coeval (differences less than 0.5 Gyr), whereas the most metal-rich globular clusters exhibit significant age differences (about 2 Gyr). This result is shown to contradict Galactic evolution models postulating halo collapse in less than a few times 100 Myr. 77 refs

  13. POLYMER COMPOSITE FILMS WITH SIZE-SELECTED METAL NANOPARTICLES FABRICATED BY CLUSTER BEAM TECHNIQUE

    DEFF Research Database (Denmark)

    Ceynowa, F. A.; Chirumamilla, Manohar; Popok, Vladimir

    2017-01-01

    Formation of polymer films with size-selected silver and copper nanoparticles (NPs) is studied. Polymers are prepared by spin coating while NPs are fabricated and deposited utilizing a magnetron sputtering cluster apparatus. The particle embedding into the films is provided by thermal annealing...... after the deposition. The degree of immersion can be controlled by the annealing temperature and time. Together with control of cluster coverage the described approach represents an efficient method for the synthesis of thin polymer composite layers with either partially or fully embedded metal NPs....... Combining electron beam lithography, cluster beam deposition and thermal annealing allows to form ordered arrays of metal NPs on polymer films. Plasticity and flexibility of polymer host and specific properties added by coinage metal NPs open a way for different applications of such composite materials...

  14. Metallicity in galactic clusters from high signal-to-noise spectroscopy

    International Nuclear Information System (INIS)

    Boesgaard, A.M.

    1989-01-01

    High-quality spectroscopic data on selected F dwarfs in six Galactic clusters are used to determine global (Fe/H) values for the clusters. For the two youngest clusters, Pleiades and Alpha Per, the (Fe/H) values are solar: 0.017 + or - 0.055. The Hyades and Praesepe are slightly metal-enhanced at (Fe/H) = + 0.125 + or - 0.032, even though they are an order of magnitude older than the Pleiades. Coma and the UMa Group at the age of the Hyades are slightly metal-deficient with (Fe/H) = - 0.082 + or - 0.039. The lack of an age-metallicity relationship indicates that the enrichment and mixing in the Galactic disk have not been uniform on time scales less than a billion years. 39 references

  15. Nonequilibrium electron energy-loss kinetics in metal clusters

    CERN Document Server

    Guillon, C; Fatti, N D; Vallee, F

    2003-01-01

    Ultrafast energy exchanges of a non-Fermi electron gas with the lattice are investigated in silver clusters with sizes ranging from 4 to 26 nm using a femtosecond pump-probe technique. The results yield evidence for a cluster-size-dependent slowing down of the short-time energy losses of the electron gas when it is strongly athermal. A constant rate is eventually reached after a few hundred femtoseconds, consistent with the electron gas internal thermalization kinetics, this behaviour reflecting evolution from an individual to a collective electron-lattice type of coupling. The timescale of this transient regime is reduced in small nanoparticles, in agreement with speeding up of the electron-electron interactions with size reduction. The experimental results are in quantitative agreement with numerical simulations of the electron kinetics.

  16. Supersonic pulsed free-jet of atoms and molecules of refractory metals: laser induced fluorescence spectroscopic studies on zirconium atoms and zirconium oxide molecules

    International Nuclear Information System (INIS)

    Nakhale, S.G.

    2004-11-01

    The experimental setup for generating supersonic pulsed free-jet containing atoms and molecules of refractory nature has been built. The technique of laser vaporization in conjunction with supersonic cooling is used to generate these species. The cooled atoms and molecules in supersonic free-jet are probed by laser induced fluorescence spectroscopy. In particular, the technique has been used to perform low-resolution laser induced fluorescence spectroscopy, limited by laser linewidth, on cold Zr atoms and ZrO molecules. The translational temperatures of ∼ 26.5 K and the rotational temperatures of ∼ 81 K have been achieved. It is possible to achieve the Doppler width of few tens of MHz allowing it to perform high-resolution spectroscopy on these atomic and molecular species. Also because of low rotational temperature of molecules the spectral congestion is greatly reduced. In general, this technique can be applied to perform spectroscopy on atoms and molecules of refractory nature. (author)

  17. Electronic properties of large metal clusters in Jellium and pseudo-jellium models

    International Nuclear Information System (INIS)

    Catara, F.; Van Giai, N.; Chomaz, P.

    1994-08-01

    The energy-density functional approach and jellium-like models are used to examine two important electronic properties of metal (Li, Na, K) clusters: their shell and supershell structures, and the behaviour of plasmon energies with increasing cluster sizes. A comparative study is made between predictions of the usual jellium model and those of the pseudo-jellium model where pseudo-Hamiltonians are used. (authors) 10 figs., 5 tabs., 16 refs

  18. METAL DEFICIENCY IN CLUSTER STAR-FORMING GALAXIES AT Z = 2

    Energy Technology Data Exchange (ETDEWEB)

    Valentino, F.; Daddi, E.; Strazzullo, V.; Gobat, R.; Bournaud, F.; Juneau, S.; Zanella, A. [Laboratoire AIM-Paris-Saclay, CEA/DSM-CNRS-Université Paris Diderot, Irfu/Service d’Astrophysique, CEA Saclay, Orme des Merisiers, F-91191 Gif sur Yvette (France); Onodera, M.; Carollo, M. [Institute for Astronomy, ETH Zürich Wolfgang-Pauli-strasse 27, 8093 Zürich (Switzerland); Renzini, A. [INAF-Osservatorio Astronomico di Padova Vicolo dell’Osservatorio 5, I-35122 Padova (Italy); Arimoto, N., E-mail: francesco.valentino@cea.fr [Subaru Telescope, National Astronomical Observatory of Japan 650 North A’ohoku Place, Hilo, HI 96720 (United States)

    2015-03-10

    We investigate the environmental effect on the metal enrichment of star-forming galaxies (SFGs) in the farthest spectroscopically confirmed and X-ray-detected cluster, CL J1449+0856 at z = 1.99. We combined Hubble Space Telescope/WFC3 G141 slitless spectroscopic data, our thirteen-band photometry, and a recent Subaru/Multi-object InfraRed Camera and Spectrograph (MOIRCS) near-infrared spectroscopic follow-up to constrain the physical properties of SFGs in CL J1449+0856 and in a mass-matched field sample. After a conservative removal of active galactic nuclei, stacking individual MOIRCS spectra of 6 (31) sources in the cluster (field) in the mass range 10 ≤ log(M/M{sub ⊙}) ≤ 11, we find a ∼4σ lower [N ii]/Hα ratio in the cluster than in the field. Stacking a subsample of 16 field galaxies with Hβ and [O iii] in the observed range, we measure an [O iii]/Hβ ratio fully compatible with the cluster value. Converting these ratios into metallicities, we find that the cluster SFGs are up to 0.25 dex poorer in metals than their field counterparts, depending on the adopted calibration. The low metallicity in cluster sources is confirmed using alternative indicators. Furthermore, we observe a significantly higher Hα luminosity and equivalent width in the average cluster spectrum than in the field. This is likely due to the enhanced specific star formation rate; even if lower dust reddening and/or an uncertain environmental dependence on the continuum-to-nebular emission differential reddening may play a role. Our findings might be explained by the accretion of pristine gas around galaxies at z = 2 and from cluster-scale reservoirs, possibly connected with a phase of rapid halo mass assembly at z > 2 and of a high galaxy merging rate.

  19. BVRI CCD photometry of the metal-poor globular cluster M68 (NGC 4590)

    International Nuclear Information System (INIS)

    Alcaino, G.; Liller, W.; Alvarado, F.; Wenderoth, E.

    1990-01-01

    BVRI photometry of the low metallicity globular cluster M68 (NGC 4590) was obtained with a CCD camera and the 2.2-m ESO telescope. The resulting BV color-magnitude diagrams are compared with the observations of McClure et al. (1987). The observations are also compared with theoretical isochrones, yielding a cluster age of 13 Gyr with a likely external uncertainty of 2 or 3 Gyr. 25 refs

  20. Metal oxide/polyaniline nanocomposites: Cluster size and ...

    Indian Academy of Sciences (India)

    Wintec

    Metal oxide/polyaniline nanocomposites; structural properties; magnetic properties. 1. Introduction ... The powder obtained was ground in a motor and pestle, sonicated in ... Figure 1. XRD of (a) iron oxide nanoparticles and (b) iron oxide/PANI (1 : 0⋅4) composite. .... shape of the particles and the anisotropy energy, as also.

  1. Chemical probes of metal cluster structure--Fe, Co, Ni, and Cu

    International Nuclear Information System (INIS)

    Parks, E.K.; Zhu, L.; Ho, J.; Riley, S.J.

    1992-01-01

    Chemical reactivity is one of the few methods currently available for investigating the geometrical structure of isolated transition metal clusters. In this paper we summarize what is currently known about the structures of clusters of four transition metals, Fe, Co, Ni, and Cu, in the size range from 13 to 180 atoms. Chemical probes used to determine structural information include reactions with H 2 (D 2 ), H 2 0, NH 3 and N 2 . Measurements at both low coverage and at saturation are discussed

  2. THE METALLICITY BIMODALITY OF GLOBULAR CLUSTER SYSTEMS: A TEST OF GALAXY ASSEMBLY AND OF THE EVOLUTION OF THE GALAXY MASS-METALLICITY RELATION

    International Nuclear Information System (INIS)

    Tonini, Chiara

    2013-01-01

    We build a theoretical model to study the origin of the globular cluster metallicity bimodality in the hierarchical galaxy assembly scenario. The model is based on empirical relations such as the galaxy mass-metallicity relation [O/H]-M star as a function of redshift, and on the observed galaxy stellar mass function up to redshift z ∼ 4. We make use of the theoretical merger rates as a function of mass and redshift from the Millennium simulation to build galaxy merger trees. We derive a new galaxy [Fe/H]-M star relation as a function of redshift, and by assuming that globular clusters share the metallicity of their original parent galaxy at the time of their formation, we populate the merger tree with globular clusters. We perform a series of Monte Carlo simulations of the galaxy hierarchical assembly, and study the properties of the final globular cluster population as a function of galaxy mass, assembly and star formation history, and under different assumptions for the evolution of the galaxy mass-metallicity relation. The main results and predictions of the model are the following. (1) The hierarchical clustering scenario naturally predicts a metallicity bimodality in the galaxy globular cluster population, where the metal-rich subpopulation is composed of globular clusters formed in the galaxy main progenitor around redshift z ∼ 2, and the metal-poor subpopulation is composed of clusters accreted from satellites, and formed at redshifts z ∼ 3-4. (2) The model reproduces the observed relations by Peng et al. for the metallicities of the metal-rich and metal-poor globular cluster subpopulations as a function of galaxy mass; the positions of the metal-poor and metal-rich peaks depend exclusively on the evolution of the galaxy mass-metallicity relation and the [O/Fe], both of which can be constrained by this method. In particular, we find that the galaxy [O/Fe] evolves linearly with redshift from a value of ∼0.5 at redshift z ∼ 4 to a value of ∼0.1 at

  3. Proofs of cluster formation and transitions in liquid metals and alloys

    International Nuclear Information System (INIS)

    Filippov, E.S.

    1985-01-01

    Calculational and experimental proofs are presented indicating to existence of clusters in liquid metals and alloys. Systems of liquid alloys both on the base of ferrous metals and non-ferrous metals (Fe-C, Ni-C, Co-C, Fe-Ni, Ni-Mo, Co-Cr, Co-V as well as In-Sn, Bi-Sn, Si-Ge and others) are studied experimentally. It is shown that the general feature of the systems studied is sensitivity of a volume to change in structure, to replacement fcc structure on bcc or to initiation-dissociation of intermetallic compounds AxBy. It is shown that both in pure liquid metals and in their.alloys there are clusters as ordered aggregate of atoms

  4. Atomic structures and covalent-to-metallic transition of lead clusters Pbn (n=2-22)

    International Nuclear Information System (INIS)

    Wang Baolin; Zhao Jijun; Chen Xiaoshuang; Shi Daning; Wang Guanghou

    2005-01-01

    The lowest-energy structures and electronic properties of the lead clusters are studied by density-functional-theory calculations with Becke-Lee-Yang-Parr gradient correction. The lowest-energy structures of Pb n (n=2-22) clusters are determined from a number of structural isomers, which are generated from empirical genetic algorithm simulations. The competition between atom-centered compact structures and layered stacking structures leads to the alternative appearance of the two types of structures as global minimum. The size evolution of geometric and electronic properties from covalent bonding towards bulk metallic behavior in Pb clusters is discussed

  5. Structure of s - p bonded metal clusters with 8, 20 and 40 valence electrons

    International Nuclear Information System (INIS)

    Kumar, V.

    1992-10-01

    From studies on some clusters of metals and semiconductors, there appear some similarities in the structure of clusters with a given number of atoms and having the number of valence electrons corresponding to a shell closing. Here we present results of the atomic and electronic structure of a few other clusters with 20 and 40 valence electrons, namely Sb 4 , Sn 5 and Sb 8 using the density functional molecular dynamics method. We suggest that the similarities in the structure and deviation from them may help to understand bonding characteristics in clusters and its evolution to bulk behaviour. Our results on Sb 8 cluster are preliminary but indicate that above room temperature its structure is two weakly interacting tetrahedra which is in general agreement with the observation of predominently antimony tetramers at T > 300 K. (author). 16 refs, 2 figs

  6. On the role of resonances in photoionization of metal clusters

    International Nuclear Information System (INIS)

    Wopperer, P; Dinh, P M; Suraud, E; Reinhard, P G

    2013-01-01

    We analyze electron emission from irradiated clusters by means of time-dependent density-functional theory (TDDFT) in real time. We focus on photo-electron spectra (PES) which deliver an invaluable tool to explore static and dynamical properties of irradiated species. We discuss, in particular, the role of resonances in the PES once the laser frequency is below the emission threshold which implies multiphoton processes. We show that the resonances in the electronic spectrum lead to the occurrence of several peaks in the PES and also strongly affect the standard scaling relations between ionization and the number of required photons for electronic emission.

  7. Impurity cluster interaction in fcc metals studied by PAC

    International Nuclear Information System (INIS)

    Deicher, M.; Echt, O.; Recknagel, E.; Wichert, T.

    1981-01-01

    A defect configuration of high thermal stability has been observed by PAC in Au, showing the same properties as previously published configuration in Cu and Ni. We prove that these configurations cannot consist of any small defect complex with well-defined size; especially the observed influence of the damaging conditions on the thermal stability of the defects in Au and Cu would contradict such an assumption. It is shown that probe atoms trapped at large clusters of variable size can nevertheless experience a unique electric field gradient, and that in our case intrinsic stacking faults, formed by vacancies, can account for all the measured properties. (orig.)

  8. Phosphorus vacancy cluster model for phosphorus diffusion gettering of metals in Si

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Renyu; Trzynadlowski, Bart; Dunham, Scott T. [Department of Electrical Engineering, University of Washington, Seattle, Washington 98195 (United States)

    2014-02-07

    In this work, we develop models for the gettering of metals in silicon by high phosphorus concentration. We first performed ab initio calculations to determine favorable configurations of complexes involving phosphorus and transition metals (Fe, Cu, Cr, Ni, Ti, Mo, and W). Our ab initio calculations found that the P{sub 4}V cluster, a vacancy surrounded by 4 nearest-neighbor phosphorus atoms, which is the most favorable inactive P species in heavily doped Si, strongly binds metals such as Cu, Cr, Ni, and Fe. Based on the calculated binding energies, we build continuum models to describe the P deactivation and Fe gettering processes with model parameters calibrated against experimental data. In contrast to previous models assuming metal-P{sub 1}V or metal-P{sub 2}V as the gettered species, the binding of metals to P{sub 4}V satisfactorily explains the experimentally observed strong gettering behavior at high phosphorus concentrations.

  9. Nonlinear Color–Metallicity Relations of Globular Clusters. VII. Nonlinear Absorption-line Index versus Metallicity Relations and Bimodal Index Distributions of NGC 5128 Globular Clusters

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sooyoung; Yoon, Suk-Jin, E-mail: sjyoon0691@yonsei.ac.kr [Department of Astronomy and Center for Galaxy Evolution Research, Yonsei University, Seoul 120-749 (Korea, Republic of)

    2017-07-01

    Spectroscopy on the globular cluster (GC) system of NGC 5128 revealed bimodality in absorption-line index distributions of its old GCs. GC division is a widely observed and studied phenomenon whose interpretation has depicted host galaxy formation and evolution such that it harbors two distinct metallicity groups. Such a conventional view of GC bimodality has mainly been based on photometry. The recent GC photometric data, however, presented an alternative perspective in which the nonlinear metallicity-to-color transformation is responsible for color bimodality of GC systems. Here we apply the same line of analysis to the spectral indices and examine the absorption-line index versus metallicity relations for the NGC 5128 GC system. NGC 5128 GCs display nonlinearity in the metallicity-index planes, most prominently for the Balmer lines and by a non-negligible degree for the metallicity-sensitive magnesium line. We demonstrate that the observed spectroscopic division of NGC 5128 GCs can be caused by the nonlinear nature of the metallicity-to-index conversions and thus one does not need to resort to two separate GC subgroups. Our analysis incorporating this nonlinearity provides a new perspective on the structure of NGC 5128's GC system, and a further piece to the global picture of the formation of GC systems and their host galaxies.

  10. Pulse laser-induced generation of cluster codes from metal nanoparticles for immunoassay applications

    Directory of Open Access Journals (Sweden)

    Chia-Yin Chang

    2017-05-01

    Full Text Available In this work, we have developed an assay for the detection of proteins by functionalized nanomaterials coupled with laser-induced desorption/ionization mass spectrometry (LDI-MS by monitoring the generation of metal cluster ions. We achieved selective detection of three proteins [thrombin, vascular endothelial growth factor-A165 (VEGF-A165, and platelet-derived growth factor-BB (PDGF-BB] by modifying nanoparticles (NPs of three different metals (Au, Ag, and Pt with the corresponding aptamer or antibody in one assay. The Au, Ag, and Pt acted as metal bio-codes for the analysis of thrombin, VEGF-A165, and PDGF-BB, respectively, and a microporous cellulose acetate membrane (CAM served as a medium for an in situ separation of target protein-bound and -unbound NPs. The functionalized metal nanoparticles bound to their specific proteins were subjected to LDI-MS on the CAM. The functional nanoparticles/CAM system can function as a signal transducer and amplifier by transforming the protein concentration into an intense metal cluster ion signal during LDI-MS analysis. This system can selectively detect proteins at picomolar concentrations. Most importantly, the system has great potential for the detection of multiple proteins without any pre-concentration, separation, or purification process because LDI-MS coupled with CAM effectively removes all signals except for those from the metal cluster ions.

  11. The evoluation of the galactic globular clusters; I Metal abundance calibrations

    International Nuclear Information System (INIS)

    Lee, S.W.; Park, N.K.

    1984-01-01

    Five different calibrations of metal abundances of globular clusters are examined and these are compared with metallicity ranking parameters such as (Sp)sub(c), , Q39 and IR-indices. Except for the calibration *(Fe/H*)sub(H) by the high dispersion echelle analysis, the other calibration scales are correlated with the morphological parameters of red giant branch. In the *(Fe/H*)sub(Hsup(-))scale, the clusters later than approx.F8 have nearly a constant metal abundance, *(Fe/H*)sub(H)approx.-1.05, regardless of morphological characteristics of horizontal branch and red giant branch. By the two fundamental calibration scales of *(Fe/H*)sub(L) (derived by the low dispersion analysis), and *(Fe/H*)sub(delta S) (derived by the spectral analysis of RR Lyrae stars), the globular clusters are divided into the halo clusters with *(Fe/H*)<-1.0 and the disk clusters confined within the galactocentric distance rsub(G)=10 kpc and galactic plane distance absolute z=3 kpc. In this case the abundance gradient is given by d*(Fe/H*)/drsub(G)approx.-0.05kpcsup(-1) and d*(Fe/H*)/d absolute z approx. -0.08 kpcsup(-1) within rsub(G)=20 kpc and absolute z=10 kpc, respectively. According to these characteristics of the spatial distribution of globular clusters, the chemical evolution of the galactic globular clusters can be accounted for by the two-zone (disk-halo) slow collapse model when the *(Fe/H*)sub(Lsup(-)) or *(Fe/H*)sub(DELTA Ssup(-))scale is applied. In the case of *(Fe/H*)sub(Hsup(-))scale, the one-zone fast collapse model is preferred for the evolution of globular clusters. (Author)

  12. NEAR-IR PHOTOMETRIC PROPERTIES OF HB, MSTO, AND SGB FOR METAL POOR GALACTIC GLOBULAR CLUSTERS

    Directory of Open Access Journals (Sweden)

    J.-W. Kim

    2007-03-01

    Full Text Available We report photometric features of the HB, MSTO, and SGB for a set of metal-poor Galactic globular clusters on the near-IR CMDs. The magnitude and color of the MSTO and SGB are measured on the fiducial normal points of the CMDs by applying a polynomial fit. The near-IR luminosity functions of horizontal branch stars in the classical second parameter pair M3 and M13 indicate that HB stars in M13 are dominated by hot stars that are rotatively faint in the infrared, whereas HB stars in M3 are brighter than those in M13. The luminosity functions of HB stars in the observed bulge clusters, except for NGC 6717, show a trend that the fainter hot HB stars are dominated in the relatively metal-poor clusters while the relatively metal-rich clusters contain the brighter HB stars. It is suggestive that NGC 6717 would be an extreme example of the second-parameter phenomenon for the bulge globular clusters.

  13. Optical trapping of metal-dielectric nanoparticle clusters near photonic crystal microcavities.

    Science.gov (United States)

    Mejia, Camilo A; Huang, Ningfeng; Povinelli, Michelle L

    2012-09-01

    We predict the formation of optically trapped, metal-dielectric nanoparticle clusters above photonic crystal microcavities. We determine the conditions on particle size and position for a gold particle to be trapped above the microcavity. We then show that strong field redistribution and enhancement near the trapped gold nanoparticle results in secondary trapping sites for a pair of dielectric nanoparticles.

  14. Processes of conversion of a hot metal particle into aerogel through clusters

    Energy Technology Data Exchange (ETDEWEB)

    Smirnov, B. M., E-mail: bmsmirnov@gmail.com [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation)

    2015-10-15

    Processes are considered for conversion into a fractal structure of a hot metal micron-size particle that is located in a buffer gas or a gas flow and is heated by an external electric or electromagnetic source or by a plasma. The parameter of this heating is the particle temperature, which is the same in the entire particle volume because of its small size and high conductivity. Three processes determine the particle heat balance: particle radiation, evaporation of metal atoms from the particle surface, and heat transport to the surrounding gas due to its thermal conductivity. The particle heat balance is analyzed based on these processes, which are analogous to those for bulk metals with the small particle size, and its high temperature taken into account. Outside the particle, where the gas temperature is lower than on its surface, the formed metal vapor in a buffer gas flow is converted into clusters. Clusters grow as a result of coagulation until they become liquid, and then clusters form fractal aggregates if they are removed form the gas flow. Subsequently, associations of fractal aggregates join into a fractal structure. The rate of this process increases in medium electric fields, and the formed fractal structure has features of aerogels and fractal fibers. As a result of a chain of the above processes, a porous metal film may be manufactured for use as a filter or catalyst for gas flows.

  15. Nonlocality and particle-clustering effects on the optical response of composite materials with metallic nanoparticles

    Science.gov (United States)

    Chen, C. W.; Chung, H. Y.; Chiang, H.-P.; Lu, J. Y.; Chang, R.; Tsai, D. P.; Leung, P. T.

    2010-10-01

    The optical properties of composites with metallic nanoparticles are studied, taking into account the effects due to the nonlocal dielectric response of the metal and the coalescing of the particles to form clusters. An approach based on various effective medium theories is followed, and the modeling results are compared with those from the cases with local response and particles randomly distributed through the host medium. Possible observations of our modeling results are illustrated via a calculation of the transmission of light through a thin film made of these materials. It is found that the nonlocal effects are particularly significant when the particles coalesce, leading to blue-shifted resonances and slightly lower values in the dielectric functions. The dependence of these effects on the volume fraction and fractal dimension of the metal clusters is studied in detail.

  16. Medium-induced change of the optical response of metal clusters in rare-gas matrices

    Science.gov (United States)

    Xuan, Fengyuan; Guet, Claude

    2017-10-01

    Interaction with the surrounding medium modifies the optical response of embedded metal clusters. For clusters from about ten to a few hundreds of silver atoms, embedded in rare-gas matrices, we study the environment effect within the matrix random phase approximation with exact exchange (RPAE) quantum approach, which has proved successful for free silver clusters. The polarizable surrounding medium screens the residual two-body RPAE interaction, adds a polarization term to the one-body potential, and shifts the vacuum energy of the active delocalized valence electrons. Within this model, we calculate the dipole oscillator strength distribution for Ag clusters embedded in helium droplets, neon, argon, krypton, and xenon matrices. The main contribution to the dipole surface plasmon red shift originates from the rare-gas polarization screening of the two-body interaction. The large size limit of the dipole surface plasmon agrees well with the classical prediction.

  17. Tidal stripping stellar substructures around four metal-poor globular clusters in the galactic bulge

    International Nuclear Information System (INIS)

    Chun, Sang-Hyun; Kang, Minhee; Jung, DooSeok; Sohn, Young-Jong

    2015-01-01

    We investigate the spatial density configuration of stars around four metal-poor globular clusters (NGC 6266, NGC 6626, NGC 6642, and NGC 6723) in the Galactic bulge region using wide-field deep J, H, and K imaging data obtained with the Wide Field Camera near-infrared array on the United Kingdom Infrared Telescope. A statistical weighted filtering algorithm for the stars on the color–magnitude diagram is applied in order to sort cluster member candidates from the field star contamination. In two-dimensional isodensity contour maps of the clusters, we find that all four of the globular clusters exhibit strong evidence of tidally stripped stellar features beyond the tidal radius in the form of tidal tails or small density lobes/chunks. The orientations of the extended stellar substructures are likely to be associated with the effect of dynamic interaction with the Galaxy and the cluster's space motion. The observed radial density profiles of the four globular clusters also describe the extended substructures; they depart from theoretical King and Wilson models and have an overdensity feature with a break in the slope of the profile at the outer region of clusters. The observed results could imply that four globular clusters in the Galactic bulge region have experienced strong environmental effects such as tidal forces or bulge/disk shocks of the Galaxy during the dynamical evolution of globular clusters. These observational results provide further details which add to our understanding of the evolution of clusters in the Galactic bulge region as well as the formation of the Galaxy.

  18. Mixed clusters from the coexpansion of C2F6 and n2 in a pulsed, supersonic expansion cluster ion source and beam deflection time-of-flight mass spectrometer: A first application

    Science.gov (United States)

    Thompson, Steven D.

    The following topics are discussed: (1) cluster ion genesis; (2) cluster ion detection; (3) Ion source; (4) pulse valve; (5) e-gun; (6) Ion optics; (7) a first order model; and (8) a modified Bakker's model.

  19. Metals on graphene and carbon nanotube surfaces: From mobile atoms to atomtronics to bulk metals to clusters and catalysts

    KAUST Repository

    Sarkar, Santanu C.

    2014-01-14

    In this Perspective, we present an overview of recent fundamental studies on the nature of the interaction between individual metal atoms and metal clusters and the conjugated surfaces of graphene and carbon nanotube with a particular focus on the electronic structure and chemical bonding at the metal-graphene interface. We discuss the relevance of organometallic complexes of graphitic materials to the development of a fundamental understanding of these interactions and their application in atomtronics as atomic interconnects, high mobility organometallic transistor devices, high-frequency electronic devices, organometallic catalysis (hydrogen fuel generation by photocatalytic water splitting, fuel cells, hydrogenation), spintronics, memory devices, and the next generation energy devices. We touch on chemical vapor deposition (CVD) graphene grown on metals, the reactivity of its surface, and its use as a template for asymmetric graphene functionalization chemistry (ultrathin Janus discs). We highlight some of the latest advances in understanding the nature of interactions between metals and graphene surfaces from the standpoint of metal overlayers deposited on graphene and SWNT thin films. Finally, we comment on the major challenges facing the field and the opportunities for technological applications. © 2013 American Chemical Society.

  20. ENVIRONMENTAL EFFECTS ON THE METAL ENRICHMENT OF LOW-MASS GALAXIES IN NEARBY CLUSTERS

    Energy Technology Data Exchange (ETDEWEB)

    Petropoulou, V.; Vilchez, J.; Iglesias-Paramo, J. [Instituto de Astrofisica de Andalucia-C.S.I.C., Glorieta de la Astronomia, 18008 Granada (Spain)

    2012-04-20

    In this paper, we study the chemical history of low-mass star-forming (SF) galaxies in the local universe clusters Coma, A1367, A779, and A634. The aim of this work is to search for the imprint of the environment on the chemical evolution of these galaxies. Galaxy chemical evolution is linked to the star formation history, as well as to the gas interchange with the environment, and low-mass galaxies are well known to be vulnerable systems to environmental processes affecting both these parameters. For our study we have used spectra from the SDSS-III DR8. We have examined the spectroscopic properties of SF galaxies of stellar masses 10{sup 8}-10{sup 10} M{sub Sun }, located from the core to the cluster's outskirts. The gas-phase O/H and N/O chemical abundances have been derived using the latest empirical calibrations. We have examined the mass-metallicity relation of cluster galaxies, finding well-defined sequences. The slope of these sequences, for galaxies in low-mass clusters and galaxies at large cluster-centric distances, follows the predictions of recent hydrodynamic models. A flattening of this slope has been observed for galaxies located in the core of the two more massive clusters of the sample, principally in Coma, suggesting that the imprint of the cluster environment on the chemical evolution of SF galaxies should be sensitive to both the galaxy mass and the host cluster mass. The H I gas content of Coma and A1367 galaxies indicates that low-mass SF galaxies, located at the core of these clusters, have been severely affected by ram-pressure stripping (RPS). The observed mass-dependent enhancement of the metal content of low-mass galaxies in dense environments seems plausible, according to hydrodynamic simulations. This enhanced metal enrichment could be produced by the combination of effects such as wind reaccretion, due to pressure confinement by the intracluster medium (ICM), and the truncation of gas infall, as a result of the RPS. Thus, the

  1. ENVIRONMENTAL EFFECTS ON THE METAL ENRICHMENT OF LOW-MASS GALAXIES IN NEARBY CLUSTERS

    International Nuclear Information System (INIS)

    Petropoulou, V.; Vílchez, J.; Iglesias-Páramo, J.

    2012-01-01

    In this paper, we study the chemical history of low-mass star-forming (SF) galaxies in the local universe clusters Coma, A1367, A779, and A634. The aim of this work is to search for the imprint of the environment on the chemical evolution of these galaxies. Galaxy chemical evolution is linked to the star formation history, as well as to the gas interchange with the environment, and low-mass galaxies are well known to be vulnerable systems to environmental processes affecting both these parameters. For our study we have used spectra from the SDSS-III DR8. We have examined the spectroscopic properties of SF galaxies of stellar masses 10 8 -10 10 M ☉ , located from the core to the cluster's outskirts. The gas-phase O/H and N/O chemical abundances have been derived using the latest empirical calibrations. We have examined the mass-metallicity relation of cluster galaxies, finding well-defined sequences. The slope of these sequences, for galaxies in low-mass clusters and galaxies at large cluster-centric distances, follows the predictions of recent hydrodynamic models. A flattening of this slope has been observed for galaxies located in the core of the two more massive clusters of the sample, principally in Coma, suggesting that the imprint of the cluster environment on the chemical evolution of SF galaxies should be sensitive to both the galaxy mass and the host cluster mass. The H I gas content of Coma and A1367 galaxies indicates that low-mass SF galaxies, located at the core of these clusters, have been severely affected by ram-pressure stripping (RPS). The observed mass-dependent enhancement of the metal content of low-mass galaxies in dense environments seems plausible, according to hydrodynamic simulations. This enhanced metal enrichment could be produced by the combination of effects such as wind reaccretion, due to pressure confinement by the intracluster medium (ICM), and the truncation of gas infall, as a result of the RPS. Thus, the properties of the ICM

  2. Nanocomposite metal/plasma polymer films prepared by means of gas aggregation cluster source

    Energy Technology Data Exchange (ETDEWEB)

    Polonskyi, O.; Solar, P.; Kylian, O.; Drabik, M.; Artemenko, A.; Kousal, J.; Hanus, J.; Pesicka, J.; Matolinova, I. [Charles University in Prague, Faculty of Mathematics and Physics, V Holesovickach 2, 18000 Prague 8 (Czech Republic); Kolibalova, E. [Tescan, Libusina trida 21, 632 00 Brno (Czech Republic); Slavinska, D. [Charles University in Prague, Faculty of Mathematics and Physics, V Holesovickach 2, 18000 Prague 8 (Czech Republic); Biederman, H., E-mail: bieder@kmf.troja.mff.cuni.cz [Charles University in Prague, Faculty of Mathematics and Physics, V Holesovickach 2, 18000 Prague 8 (Czech Republic)

    2012-04-02

    Nanocomposite metal/plasma polymer films have been prepared by simultaneous plasma polymerization using a mixture of Ar/n-hexane and metal cluster beams. A simple compact cluster gas aggregation source is described and characterized with emphasis on the determination of the amount of charged clusters and their size distribution. It is shown that the fraction of neutral, positively and negatively charged nanoclusters leaving the gas aggregation source is largely influenced by used operational conditions. In addition, it is demonstrated that a large portion of Ag clusters is positively charged, especially when higher currents are used for their production. Deposition of nanocomposite Ag/C:H plasma polymer films is described in detail by means of cluster gas aggregation source. Basic characterization of the films is performed using transmission electron microscopy, ultraviolet-visible and Fourier-transform infrared spectroscopies. It is shown that the morphology, structure and optical properties of such prepared nanocomposites differ significantly from the ones fabricated by means of magnetron sputtering of Ag target in Ar/n-hexane mixture.

  3. Catalytic dehydrogenation of alcohol over solid-state molybdenum sulfide clusters with an octahedral metal framework

    Energy Technology Data Exchange (ETDEWEB)

    Kamiguchi, Satoshi, E-mail: kamigu@riken.jp [Advanced Catalysis Research Group, RIKEN Center for Sustainable Resource Science, 2-1 Hirosawa, Wako City, Saitama 351-0198 (Japan); Organometallic Chemistry Laboratory, RIKEN, 2-1 Hirosawa, Wako City, Saitama 351-0198 (Japan); Okumura, Kazu [School of Advanced Engineering, Kogakuin University, Nakano-machi, Hachioji City, Tokyo 192-0015 (Japan); Nagashima, Sayoko; Chihara, Teiji [Graduate School of Science and Engineering, Saitama University, Shimo-Okubo, Sakura-ku, Saitama City, Saitama 338-8570 (Japan)

    2015-12-15

    Graphical abstract: - Highlights: • Solid-state molybdenum sulfide clusters catalyzed the dehydrogenation of alcohol. • The dehydrogenation proceeded without the addition of any oxidants. • The catalytic activity developed when the cluster was activated at 300–500 °C in H{sub 2}. • The Lewis-acidic molybdenum atom and basic sulfur ligand were catalytically active. • The clusters function as bifunctional acid–base catalysts. - Abstract: Solid-state molybdenum sulfide clusters with an octahedral metal framework, the superconducting Chevrel phases, are applied to catalysis. A copper salt of a nonstoichiometric sulfur-deficient cluster, Cu{sub x}Mo{sub 6}S{sub 8–δ} (x = 2.94 and δ ≈ 0.3), is stored in air for more than 90 days. When the oxygenated cluster is thermally activated in a hydrogen stream above 300 °C, catalytic activity for the dehydrogenation of primary alcohols to aldehydes and secondary alcohols to ketones develops. The addition of pyridine or benzoic acid decreases the dehydrogenation activity, indicating that both a Lewis-acidic coordinatively unsaturated molybdenum atom and a basic sulfur ligand synergistically act as the catalytic active sites.

  4. Cluster-based bulk metallic glass formation in Fe-Si-B-Nb alloy systems

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, C L; Wang, Q; Li, F W; Li, Y H; Wang, Y M; Dong, C [State Key Laboratory of Materials Modification, Dalian University of Technology (DUT), Dalian 116024 (China); Zhang, W; Inoue, A, E-mail: dong@dlut.edu.c [Institute for Materials Research (IMR), Tohoku University, Katahira 2-1-1, Aoba-Ku, Sendai 980-8577 (Japan)

    2009-01-01

    Bulk metallic glass formations have been explored in Fe-B-Si-Nb alloy system using the so-called atomic cluster line approach in combination with minor alloying guideline. The atomic cluster line refers to a straight line linking binary cluster to the third element in a ternary system. The basic ternary compositions in Fe-B-Si system are determined by the inetersection points of two cluster lines, namely Fe-B cluster to Si and Fe-Si cluster to B, and then further alloyed with 3-5 at. % Nb for enhancing glass forming abilities. BMG rods with a diameter of 3 mm are formed under the case of minor Nb alloying the basic intersecting compositions of Fe{sub 8}B{sub 3}-Si with Fe{sub 12}Si-B and Fe{sub 8}B{sub 2}-Si with Fe{sub 9}Si-B. The BMGs also exhibit high Vickers hardness (H{sub v}) of 1130-1164 and high Young's modulous (E) of 170-180 GPa

  5. Cluster perturbation theory for calculation of electronic properties of ensembles of metal nanoclusters

    Science.gov (United States)

    Zhumagulov, Yaroslav V.; Krasavin, Andrey V.; Kashurnikov, Vladimir A.

    2018-05-01

    The method is developed for calculation of electronic properties of an ensemble of metal nanoclusters with the use of cluster perturbation theory. This method is applied to the system of gold nanoclusters. The Greens function of single nanocluster is obtained by ab initio calculations within the framework of the density functional theory, and then is used in Dyson equation to group nanoclusters together and to compute the Greens function as well as the electron density of states of the whole ensemble. The transition from insulator state of a single nanocluster to metallic state of bulk gold is observed.

  6. AGES AND METALLICITIES OF CLUSTER GALAXIES IN A779 USING MODIFIED STROeMGREN PHOTOMETRY

    Energy Technology Data Exchange (ETDEWEB)

    Sreedhar, Yuvraj Harsha; Rakos, Karl D.; Hensler, Gerhard; Zeilinger, Werner W. [University of Vienna, Institute of Astronomy, Tuerkenschanzstrasse 17, A-1180 Vienna (Austria); Odell, Andrew P. [Department of Physics and Astronomy, Northern Arizona University, Flagstaff, AZ (United States)

    2012-03-01

    In the quest for the formation and evolution of galaxy clusters, Rakos and co-workers introduced a spectrophotometric method using modified Stroemgren photometry, but with the considerable debate toward the project's abilities, we re-introduce the system by testing for the repeatability of the modified Stroemgren colors and compare them with the Stroemgren colors, and check for the reproducibility of the ages and metallicities (using the Principle Component Analysis (PCA) technique and the GALEV models) for the six common galaxies in all three A779 data sets. As a result, a fair agreement between two filter systems was found to produce similar colors (with a precision of 0.09 mag in (uz - vz), 0.02 mag in (bz - yz), and 0.03 mag in (vz - vz)) and the generated ages and metallicities are also similar (with an uncertainty of 0.36 Gyr and 0.04 dex from PCA and 0.44 Gyr and 0.2 dex using the GALEV models). We infer that the technique is able to relieve the age-metallicity degeneracy by separating the age effects from the metallicity effects, but it is still unable to completely eliminate it. We further extend this paper to re-study the evolution of galaxies in the low mass, dynamically poor A779 cluster (as it was not elaborately analyzed by Rakos and co-workers in their previous work) by correlating the luminosity (mass), density, and radial distance with the estimated age, metallicity, and the star formation history. Our results distinctly show the bimodality of the young, low-mass, metal-poor population with a mean age of 6.7 Gyr ({+-} 0.5 Gyr) and the old, high-mass, metal-rich galaxies with a mean age of 9 Gyr ({+-} 0.5 Gyr). The method also observes the color evolution of the blue cluster galaxies to red (Butcher-Oemler phenomenon), and the downsizing phenomenon. Our analysis shows that modified Stroemgren photometry is very well suited for studying low- and intermediate-z clusters, as it is capable of observing deeper with better spatial resolution at

  7. Linear and nonlinear surface spectroscopy of supported size selected metal clusters and organic adsorbates

    Energy Technology Data Exchange (ETDEWEB)

    Thaemer, Martin Georg

    2012-03-08

    The spectroscopic investigation of supported size selected metal clusters over a wide wavelength range plays an important role for understanding their outstanding catalytic properties. The challenge which must be overcome to perform such measurements is the difficult detection of the weak spectroscopic signals from these samples. As a consequence, highly sensitive spectroscopic methods are applied, such as surface Cavity Ringdown Spectroscopy and surface Second Harmonic Generation Spectroscopy. The spectroscopic apparatus developed is shown to have a sensitivity which is high enough to detect sub-monolayer coverages of adsorbates on surfaces. In the measured spectra of small supported silver clusters of the sizes Ag{sub 4}2, Ag{sub 2}1, Ag{sub 9}, and Ag atoms a stepwise transition from particles with purely metallic character to particles with molecule-like properties can be observed within this size range.

  8. Electronic relaxation dynamics of a metal atom deposited on argon cluster

    International Nuclear Information System (INIS)

    Awali, Slim

    2014-01-01

    This thesis is a study on the interaction between electronically excited atomic states and a non-reactive environment. We have theoretically and experimentally studied situations where a metal atom (Ba or K) is placed in a finite size environment (argon cluster). The presence of the medium affects the electronic levels of the atom. On the other side, the excitation of the atom induces a relaxation dynamics of the electronic energy through the deformation of the cluster. The experimental part of this work focuses on two aspects: the spectroscopy and the dynamics. In both cases a first laser electronically excites the metal atom and the second ionizes the excited system. The observable is the photoelectron spectrum recorded after photoionization and possibly information on the photoion which are also produced. This pump/probe technique, with also two lasers, provide the ultrafast dynamic when the lasers pulses used are of ultrashort (60 fs). The use of nanosecond lasers leads to resonance spectroscopic measurement, unresolved temporally, which give information on the position of the energy levels of the studied system. From a theoretical point-of-view, the excited states of M-Ar n were calculated at the ab initio level, using large core pseudo-potential to limit the active electrons of the metal to valence electrons. The study of alkali metals (potassium) is especially well adapted to this method since only one electron is active. The ab-initio calculation and a Monte-Carlo simulation where coupled to optimize the geometry of the KAr n (n = 1-10) cluster when K is in the ground state of the neutral and the ion, or excited in the 4p or 5s state. Calculations were also conducted in collaboration with B. Gervais (CIMAP, Caen) on KAr n clusters having several tens of argon atoms. Absorption spectra were also calculated. From an experimental point-of-view, we were able to characterize the excited states of potassium and barium perturbed by the clusters. In both cases a

  9. Electrospray Ionization Mass Spectrometry: From Cluster Ions to Toxic metal Ions in Biology

    Energy Technology Data Exchange (ETDEWEB)

    Lentz, Nicholas B. [Iowa State Univ., Ames, IA (United States)

    2007-01-01

    This dissertation focused on using electrospray ionization mass spectrometry to study cluster ions and toxic metal ions in biology. In Chapter 2, it was shown that primary, secondary and quarternary amines exhibit different clustering characteristics under identical instrument conditions. Carbon chain length also played a role in cluster ion formation. In Chapters 3 and 4, the effects of solvent types/ratios and various instrumental parameters on cluster ion formation were examined. It was found that instrument interface design also plays a critical role in the cluster ion distribution seen in the mass spectrum. In Chapter 5, ESI-MS was used to investigate toxic metal binding to the [Gln11]-amyloid β-protein fragment (1-16). Pb and Cd bound stronger than Zn, even in the presence of excess Zn. Hg bound weaker than Zn. There are endless options for future work on cluster ions. Any molecule that is poorly ionized in positive ion mode can potentially show an increase in ionization efficiency if an appropriate anion is used to produce a net negative charge. It is possible that drug protein or drug/DNA complexes can also be stabilized by adding counter-ions. This would preserve the solution characteristics of the complex in the gas phase. Once in the gas phase, CID could determine the drug binding location on the biomolecule. There are many research projects regarding toxic metals in biology that have yet to be investigated or even discovered. This is an area of research with an almost endless future because of the changing dynamics of biological systems. What is deemed safe today may show toxic effects in the future. Evolutionary changes in protein structures may render them more susceptible to toxic metal binding. As the understanding of toxicity evolves, so does the demand for new toxic metal research. New instrumentation designs and software make it possible to perform research that could not be done in the past. What was undetectable yesterday will

  10. Magnetron sputtering cluster apparatus for formation and deposition of size-selected metal nanoparticles

    DEFF Research Database (Denmark)

    Hanif, Muhammad; Popok, Vladimir

    2015-01-01

    selection is achieved using an electrostatic quadrupole mass selector. The deposited silver clusters are studied using atomic force microscopy. The height distributions show typical relative standard size deviation of 9-13% for given sizes in the range between 5-23 nm. Thus, the apparatus demonstrates good...... capability in formation of supported size-selected metal nanoparticles with controllable coverage for various practical applications....

  11. Giant metal sputtering yields induced by 20-5000 keV/atom gold clusters

    International Nuclear Information System (INIS)

    Andersen, H.H.; Brunelle, A.; Della-Negra, S.; Depauw, J.; Jacquet, D.; Le Beyec, Y.

    1997-01-01

    Very large non-linear effects have been found in cluster-induced metal sputtering over a broad projectile energy interval for the first time. Recently available cluster beams from tandem accelerators have allowed sputtering yield measurements to be made with Au 1 to Au 5 from 20 keV/atom to 5 MeV/atom. The cluster-sputtering yield maxima were found at the same total energy but not at the same energy/atom as expected. For Au 5 a yield as high as 3000 was reached at 150 keV/atom while the Au 1 yield was only 55 at the same velocity. The Sigmund-Claussen thermal spike theory, which fits published data at low energy, cannot reproduce our extended new data set. (author)

  12. Stability and mobility of defect clusters and dislocation loops in metals

    DEFF Research Database (Denmark)

    Osetsky, Y.N.; Bacon, D.J.; Serra, A.

    2000-01-01

    has been observed in the computer simulation of small vacancy loops in alpha-Fe. In the present paper we summarise results obtained by molecular dynamics simulations of defect clusters and small dislocation loops in alpha-Fe(bcc) and Cu(fcc). The structure and stability of vacancy and interstitial......According to the production bias model, glissile defect clusters and small dislocation loops play an important role in the microstructural evolution during irradiation under cascade damage conditions. The atomic scale computer simulations carried out in recent years have clarified many questions...... loops are reviewed, and the dynamics of glissile clusters assessed. The relevance and importance of these results in establishing a better understanding of the observed differences in the damage accumulation behaviour between bcc and fee metals irradiated under cascade damage conditions are pointed out...

  13. The Next Generation Virgo Cluster Survey (NGVS). XXVI. The Issues of Photometric Age and Metallicity Estimates for Globular Clusters

    Energy Technology Data Exchange (ETDEWEB)

    Powalka, Mathieu; Lançon, Ariane; Duc, Pierre-Alain [Observatoire Astronomique de Strasbourg, Université de Strasbourg, CNRS, UMR 7550, 11 rue de l’Université, F-67000 Strasbourg (France); Puzia, Thomas H.; Muñoz, Roberto P.; Zhang, Hongxin [Institute of Astrophysics, Pontificia Universidad Católica de Chile, 7820436 Macul, Santiago (Chile); Peng, Eric W. [Department of Astronomy, Peking University, Beijing 100871 (China); Liu, Chengze [Center for Astronomy and Astrophysics, Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 (China); Blakeslee, John P.; Côté, Patrick; Ferrarese, Laura; Roediger, Joel; Gwyn, S. D. J. [National Research Council of Canada, Herzberg Astronomy and Astrophysics Program, Victoria, BC V9E 2E7 (Canada); Sánchez-Janssen, Rúben [UK Astronomy Technology Centre, Royal Observatory Edinburgh, Blackford Hill, Edinburgh EH9 3HJ (United Kingdom); Durrell, Patrick R. [Department of Physics and Astronomy, Youngstown State University, Youngstown, OH (United States); Cuillandre, Jean-Charles [AIM Paris Saclay, CNRS/INSU, CEA/Irfu,Université Paris Diderot, Orme des Merisiers, F-91191 Gif sur Yvette cedex (France); Guhathakurta, Puragra [UCO/Lick Observatory, University of California, Santa Cruz, 1156 High Street, Santa Cruz, CA 95064 (United States); Hudelot, Patrick, E-mail: mathieu.powalka@astro.unistra.fr [Institut d’Astrophysique de Paris, UMR 7095 CNRS and UPMC, 98bis Bd Arago, F-75014 Paris (France); and others

    2017-08-01

    Large samples of globular clusters (GC) with precise multi-wavelength photometry are becoming increasingly available and can be used to constrain the formation history of galaxies. We present the results of an analysis of Milky Way (MW) and Virgo core GCs based on 5 optical-near-infrared colors and 10 synthetic stellar population models. For the MW GCs, the models tend to agree on photometric ages and metallicities, with values similar to those obtained with previous studies. When used with Virgo core GCs, for which photometry is provided by the Next Generation Virgo cluster Survey (NGVS), the same models generically return younger ages. This is a consequence of the systematic differences observed between the locus occupied by Virgo core GCs and models in panchromatic color space. Only extreme fine-tuning of the adjustable parameters available to us can make the majority of the best-fit ages old. Although we cannot exclude that the formation history of the Virgo core may lead to more conspicuous populations of relatively young GCs than in other environments, we emphasize that the intrinsic properties of the Virgo GCs are likely to differ systematically from those assumed in the models. Thus, the large wavelength coverage and photometric quality of modern GC samples, such as those used here, is not by itself sufficient to better constrain the GC formation histories. Models matching the environment-dependent characteristics of GCs in multi-dimensional color space are needed to improve the situation.

  14. THE SLUGGS SURVEY: NGC 3115, A CRITICAL TEST CASE FOR METALLICITY BIMODALITY IN GLOBULAR CLUSTER SYSTEMS

    Energy Technology Data Exchange (ETDEWEB)

    Brodie, Jean P.; Conroy, Charlie; Arnold, Jacob A.; Romanowsky, Aaron J. [University of California Observatories and Department of Astronomy and Astrophysics, University of California, Santa Cruz, CA 95064 (United States); Usher, Christopher; Forbes, Duncan A. [Centre for Astrophysics and Supercomputing, Swinburne University, Hawthorn, VIC 3122 (Australia); Strader, Jay, E-mail: brodie@ucolick.org [Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States)

    2012-11-10

    Due to its proximity (9 Mpc) and the strongly bimodal color distribution of its spectroscopically well-sampled globular cluster (GC) system, the early-type galaxy NGC 3115 provides one of the best available tests of whether the color bimodality widely observed in GC systems generally reflects a true metallicity bimodality. Color bimodality has alternatively been attributed to a strongly nonlinear color-metallicity relation reflecting the influence of hot horizontal-branch stars. Here, we couple Subaru Suprime-Cam gi photometry with Keck/DEIMOS spectroscopy to accurately measure GC colors and a CaT index that measures the Ca II triplet. We find the NGC 3115 GC system to be unambiguously bimodal in both color and the CaT index. Using simple stellar population models, we show that the CaT index is essentially unaffected by variations in horizontal-branch morphology over the range of metallicities relevant to GC systems (and is thus a robust indicator of metallicity) and confirm bimodality in the metallicity distribution. We assess the existing evidence for and against multiple metallicity subpopulations in early- and late-type galaxies and conclude that metallicity bi/multimodality is common. We briefly discuss how this fundamental characteristic links directly to the star formation and assembly histories of galaxies.

  15. Interaction of Model Inhibitor Compounds with Minimalist Cluster Representations of Hydroxyl Terminated Metal Oxide Surfaces

    Directory of Open Access Journals (Sweden)

    Christopher D. Taylor

    2018-01-01

    Full Text Available The computational modeling of corrosion inhibitors at the level of molecular interactions has been pursued for decades, and recent developments are allowing increasingly realistic models to be developed for inhibitor–inhibitor, inhibitor–solvent and inhibitor–metal interactions. At the same time, there remains a need for simplistic models to be used for the purpose of screening molecules for proposed inhibitor performance. Herein, we apply a reductionist model for metal surfaces consisting of a metal cation with hydroxide ligands and use quantum chemical modeling to approximate the free energy of adsorption for several imidazoline class candidate corrosion inhibitors. The approximation is made using the binding energy and the partition coefficient. As in some previous work, we consider different methods for incorporating solvent and reference systems for the partition coefficient. We compare the findings from this short study with some previous theoretical work on similar systems. The binding energies for the inhibitors to the metal hydroxide clusters are found to be intermediate to the binding energies calculated in other work for bare metal vs. metal oxide surfaces. The method is applied to copper, iron, aluminum and nickel metal systems.

  16. THE SLUGGS SURVEY: NGC 3115, A CRITICAL TEST CASE FOR METALLICITY BIMODALITY IN GLOBULAR CLUSTER SYSTEMS

    International Nuclear Information System (INIS)

    Brodie, Jean P.; Conroy, Charlie; Arnold, Jacob A.; Romanowsky, Aaron J.; Usher, Christopher; Forbes, Duncan A.; Strader, Jay

    2012-01-01

    Due to its proximity (9 Mpc) and the strongly bimodal color distribution of its spectroscopically well-sampled globular cluster (GC) system, the early-type galaxy NGC 3115 provides one of the best available tests of whether the color bimodality widely observed in GC systems generally reflects a true metallicity bimodality. Color bimodality has alternatively been attributed to a strongly nonlinear color-metallicity relation reflecting the influence of hot horizontal-branch stars. Here, we couple Subaru Suprime-Cam gi photometry with Keck/DEIMOS spectroscopy to accurately measure GC colors and a CaT index that measures the Ca II triplet. We find the NGC 3115 GC system to be unambiguously bimodal in both color and the CaT index. Using simple stellar population models, we show that the CaT index is essentially unaffected by variations in horizontal-branch morphology over the range of metallicities relevant to GC systems (and is thus a robust indicator of metallicity) and confirm bimodality in the metallicity distribution. We assess the existing evidence for and against multiple metallicity subpopulations in early- and late-type galaxies and conclude that metallicity bi/multimodality is common. We briefly discuss how this fundamental characteristic links directly to the star formation and assembly histories of galaxies.

  17. NONLINEAR COLOR-METALLICITY RELATIONS OF GLOBULAR CLUSTERS. III. ON THE DISCREPANCY IN METALLICITY BETWEEN GLOBULAR CLUSTER SYSTEMS AND THEIR PARENT ELLIPTICAL GALAXIES

    International Nuclear Information System (INIS)

    Yoon, Suk-Jin; Lee, Sang-Yoon; Cho, Jaeil; Kim, Hak-Sub; Chung, Chul; Kim, Sooyoung; Lee, Young-Wook; Blakeslee, John P.; Peng, Eric W.; Sohn, Sangmo T.

    2011-01-01

    One of the conundrums in extragalactic astronomy is the discrepancy in observed metallicity distribution functions (MDFs) between the two prime stellar components of early-type galaxies—globular clusters (GCs) and halo field stars. This is generally taken as evidence of highly decoupled evolutionary histories between GC systems and their parent galaxies. Here we show, however, that new developments in linking the observed GC colors to their intrinsic metallicities suggest nonlinear color-to-metallicity conversions, which translate observed color distributions into strongly peaked, unimodal MDFs with broad metal-poor tails. Remarkably, the inferred GC MDFs are similar to the MDFs of resolved field stars in nearby elliptical galaxies and those produced by chemical evolution models of galaxies. The GC MDF shape, characterized by a sharp peak with a metal-poor tail, indicates a virtually continuous chemical enrichment with a relatively short timescale. The characteristic shape emerges across three orders of magnitude in the host galaxy mass, suggesting a universal process of chemical enrichment among various GC systems. Given that GCs are bluer than field stars within the same galaxy, it is plausible that the chemical enrichment processes of GCs ceased somewhat earlier than that of the field stellar population, and if so, GCs preferentially trace the major, vigorous mode of star formation events in galactic formation. We further suggest a possible systematic age difference among GC systems, in that the GC systems in more luminous galaxies are older. This is consistent with the downsizing paradigm whereby stars of brighter galaxies, on average, formed earlier than those of dimmer galaxies; this additionally supports the similar nature shared by GCs and field stars. Although the sample used in this study (the Hubble Space Telescope Advanced Camera for Surveys/Wide Field Channel, WFPC2, and WFC3 photometry for the GC systems in the Virgo galaxy cluster) confines our

  18. GLOBULAR CLUSTER ABUNDANCES FROM HIGH-RESOLUTION, INTEGRATED-LIGHT SPECTROSCOPY. II. EXPANDING THE METALLICITY RANGE FOR OLD CLUSTERS AND UPDATED ANALYSIS TECHNIQUES

    Energy Technology Data Exchange (ETDEWEB)

    Colucci, Janet E.; Bernstein, Rebecca A.; McWilliam, Andrew [The Observatories of the Carnegie Institution for Science, 813 Santa Barbara St., Pasadena, CA 91101 (United States)

    2017-01-10

    We present abundances of globular clusters (GCs) in the Milky Way and Fornax from integrated-light (IL) spectra. Our goal is to evaluate the consistency of the IL analysis relative to standard abundance analysis for individual stars in those same clusters. This sample includes an updated analysis of seven clusters from our previous publications and results for five new clusters that expand the metallicity range over which our technique has been tested. We find that the [Fe/H] measured from IL spectra agrees to ∼0.1 dex for GCs with metallicities as high as [Fe/H] = −0.3, but the abundances measured for more metal-rich clusters may be underestimated. In addition we systematically evaluate the accuracy of abundance ratios, [X/Fe], for Na i, Mg i, Al i, Si i, Ca i, Ti i, Ti ii, Sc ii, V i, Cr i, Mn i, Co i, Ni i, Cu i, Y ii, Zr i, Ba ii, La ii, Nd ii, and Eu ii. The elements for which the IL analysis gives results that are most similar to analysis of individual stellar spectra are Fe i, Ca i, Si i, Ni i, and Ba ii. The elements that show the greatest differences include Mg i and Zr i. Some elements show good agreement only over a limited range in metallicity. More stellar abundance data in these clusters would enable more complete evaluation of the IL results for other important elements.

  19. A High-precision Trigonometric Parallax to an Ancient Metal-poor Globular Cluster

    Science.gov (United States)

    Brown, T. M.; Casertano, S.; Strader, J.; Riess, A.; VandenBerg, D. A.; Soderblom, D. R.; Kalirai, J.; Salinas, R.

    2018-03-01

    Using the Wide Field Camera 3 (WFC3) on the Hubble Space Telescope (HST), we have obtained a direct trigonometric parallax for the nearest metal-poor globular cluster, NGC 6397. Although trigonometric parallaxes have been previously measured for many nearby open clusters, this is the first parallax for an ancient metal-poor population—one that is used as a fundamental template in many stellar population studies. This high-precision measurement was enabled by the HST/WFC3 spatial-scanning mode, providing hundreds of astrometric measurements for dozens of stars in the cluster and also for Galactic field stars along the same sightline. We find a parallax of 0.418 ± 0.013 ± 0.018 mas (statistical, systematic), corresponding to a true distance modulus of 11.89 ± 0.07 ± 0.09 mag (2.39 ± 0.07 ± 0.10 kpc). The V luminosity at the stellar main-sequence turnoff implies an absolute cluster age of 13.4 ± 0.7 ± 1.2 Gyr. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555. These observations are associated with programs GO-13817, GO-14336, and GO-14773.

  20. Quantum kinetic theory of metal clusters in an intense electromagnetic field

    Directory of Open Access Journals (Sweden)

    M.Bonitz

    2004-01-01

    Full Text Available A quantum kinetic theory for weakly inhomogeneous charged particle systems is derived within the framework of nonequilibrium Green's functions. The results are of relevance for valence electrons of metal clusters as well as for confined Coulomb systems, such as electrons in quantum dots or ultracold ions in traps and similar systems. To be specific, here we concentrate on the application to metal clusters, but the results are straightforwardly generalized. Therefore, we first give an introduction to the physics of correlated valence electrons of metal clusters in strong electromagnetic fields. After a brief overview on the jellium model and the standard density functional approach to the ground state properties, we focus on the extension of the theory to nonequilibrium. To this end a general gauge-invariant kinetic theory is developed. The results include the equations of motion of the two-time correlation functions, the equation for the Wigner function and an analysis of the spectral function. Here, the concept of an effective quantum potential is introduced which retains the convenient local form of the propagators. This allows us to derive explicit results for the spectral function of electrons in a combined strong electromagnetic field and a weakly inhomogeneous confinement potential.

  1. Atmospheric parameters and metallicities for 2191 stars in the globular cluster M4

    International Nuclear Information System (INIS)

    Malavolta, Luca; Piotto, Giampaolo; Nascimbeni, Valerio; Sneden, Christopher; Milone, Antonino P.; Bedin, Luigi R.

    2014-01-01

    We report new metallicities for stars of Galactic globular cluster M4 using the largest number of stars ever observed at high spectral resolution in any cluster. We analyzed 7250 spectra for 2771 cluster stars gathered with the Very Large Telescope (VLT) FLAMES+GIRAFFE spectrograph at VLT. These medium-resolution spectra cover a small wavelength range, and often have very low signal-to-noise ratios. We approached this data set by reconsidering the whole method of abundance analysis of large stellar samples from beginning to end. We developed a new algorithm that automatically determines the atmospheric parameters of a star. Nearly all of the data preparation steps for spectroscopic analyses are processed on the syntheses, not the observed spectra. For 322 red giant branch (RGB) stars with V ≤ 14.7, we obtain a nearly constant metallicity, ([Fe/H]) = –1.07 (σ = 0.02). No difference in the metallicity at the level of 0.01 dex is observed between the two RGB sequences identified by Monelli et al. For 1869 subgiant and main-sequence stars with V > 14.7, we obtain ([Fe/H]) = –1.16 (σ = 0.09) after fixing the microturbulent velocity. These values are consistent with previous studies that have performed detailed analyses of brighter RGB stars at higher spectroscopic resolution and wavelength coverage. It is not clear if the small mean metallicity difference between brighter and fainter M4 members is real or is the result of the low signal-to-noise characteristics of the fainter stars. The strength of our approach is shown by recovering a metallicity close to a single value for more than 2000 stars, using a data set that is non-optimal for atmospheric analyses. This technique is particularly suitable for noisy data taken in difficult observing conditions

  2. Atmospheric parameters and metallicities for 2191 stars in the globular cluster M4

    Energy Technology Data Exchange (ETDEWEB)

    Malavolta, Luca; Piotto, Giampaolo; Nascimbeni, Valerio [Dipartimento di Fisica e Astronomia, Vicolo dell' Osservatorio 3, I-35122 Padova (Italy); Sneden, Christopher [Department of Astronomy and McDonald Observatory, The University of Texas, Austin, TX 78712 (United States); Milone, Antonino P. [Research School of Astronomy and Astrophysics, The Australian National University, Cotter Road, Weston, ACT 2611 (Australia); Bedin, Luigi R., E-mail: luca.malavolta@unipd.it, E-mail: giampaolo.piotto@unipd.it, E-mail: valerio.nascimbeni@unipd.it, E-mail: luigi.bedin@oapd.inaf.it, E-mail: chris@verdi.as.utexas.edu, E-mail: milone@mso.anu.edu.au [INAF-Osservatorio Astronomico di Padova, Vicolo dell' Osservatorio 5, I-35122 Padova (Italy)

    2014-02-01

    We report new metallicities for stars of Galactic globular cluster M4 using the largest number of stars ever observed at high spectral resolution in any cluster. We analyzed 7250 spectra for 2771 cluster stars gathered with the Very Large Telescope (VLT) FLAMES+GIRAFFE spectrograph at VLT. These medium-resolution spectra cover a small wavelength range, and often have very low signal-to-noise ratios. We approached this data set by reconsidering the whole method of abundance analysis of large stellar samples from beginning to end. We developed a new algorithm that automatically determines the atmospheric parameters of a star. Nearly all of the data preparation steps for spectroscopic analyses are processed on the syntheses, not the observed spectra. For 322 red giant branch (RGB) stars with V ≤ 14.7, we obtain a nearly constant metallicity, ([Fe/H]) = –1.07 (σ = 0.02). No difference in the metallicity at the level of 0.01 dex is observed between the two RGB sequences identified by Monelli et al. For 1869 subgiant and main-sequence stars with V > 14.7, we obtain ([Fe/H]) = –1.16 (σ = 0.09) after fixing the microturbulent velocity. These values are consistent with previous studies that have performed detailed analyses of brighter RGB stars at higher spectroscopic resolution and wavelength coverage. It is not clear if the small mean metallicity difference between brighter and fainter M4 members is real or is the result of the low signal-to-noise characteristics of the fainter stars. The strength of our approach is shown by recovering a metallicity close to a single value for more than 2000 stars, using a data set that is non-optimal for atmospheric analyses. This technique is particularly suitable for noisy data taken in difficult observing conditions.

  3. Magneto-structural properties and magnetic anisotropy of small transition-metal clusters: a first-principles study

    International Nuclear Information System (INIS)

    Blonski, Piotr; Hafner, Juergen

    2011-01-01

    Ab initio density-functional calculations including spin-orbit coupling (SOC) have been performed for Ni and Pd clusters with three to six atoms and for 13-atom clusters of Ni, Pd, and Pt, extending earlier calculations for Pt clusters with up to six atoms (2011 J. Chem. Phys. 134 034107). The geometric and magnetic structures have been optimized for different orientations of the magnetization with respect to the crystallographic axes of the cluster. The magnetic anisotropy energies (MAE) and the anisotropies of spin and orbital moments have been determined. Particular attention has been paid to the correlation between the geometric and magnetic structures. The magnetic point group symmetry of the clusters varies with the direction of the magnetization. Even for a 3d metal such as Ni, the change in the magnetic symmetry leads to small geometric distortions of the cluster structure, which are even more pronounced for the 4d metal Pd. For a 5d metal the SOC is strong enough to change the energetic ordering of the structural isomers. SOC leads to a mixing of the spin states corresponding to the low-energy spin isomers identified in the scalar-relativistic calculations. Spin moments are isotropic only for Ni clusters, but anisotropic for Pd and Pt clusters, orbital moments are anisotropic for the clusters of all three elements. The magnetic anisotropy energies have been calculated. The comparison between MAE and orbital anisotropy invalidates a perturbation analysis of magnetic anisotropy for these small clusters.

  4. Electronic and magnetic properties of 3d transition metal-doped strontium clusters: Prospective magnetic superatoms

    International Nuclear Information System (INIS)

    Chauhan, Vikas; Sen, Prasenjit

    2013-01-01

    Highlights: • Structural, electronic and magnetic properties of TM-Sr clusters are studied using DFT methods. • CrSr 9 and MnSr 10 have enhanced stability in the CrSr n and MnSrn series. • These two clusters behave as magnetic superatoms. • A qualitative understanding of the magnetic coupling between two superatom units is offered. • Reactivity of these superatoms to molecular oxygen also studied. - Abstract: Structural, electronic and magnetic properties of 3d transition metal doped strontium clusters are studied using first-principles electronic structure methods based on density functional theory. Clusters with enhanced kinetic and thermodynamic stability are identified by studying their hardness, second order energy difference and adiabatic spin excitation energy. CrSr 9 and MnSr 10 are found to have enhanced stability. They retain their structural identities in assemblies, and are classified as magnetic superatoms. A qualitative understanding of the magnetic coupling between two cluster units is arrived at. Reactivity of these superatoms with O 2 molecule is also studied. Prospects for using these magnetic superatoms in applications are discussed

  5. A numerical study of spin-dependent organization of alkali-metal atomic clusters using density-functional method

    International Nuclear Information System (INIS)

    Liu Xuan; Ito, Haruhiko; Torikai, Eiko

    2012-01-01

    We calculate the different geometric isomers of spin clusters composed of a small number of alkali-metal atoms using the UB3LYP density-functional method. The electron density distribution of clusters changes according to the value of total spin. Steric structures as well as planar structures arise when the number of atoms increases. The lowest spin state is the most stable and Li n , Na n , K n , Rb n , and Cs n with n = 2–8 can be formed in higher spin states. In the highest spin state, the preparation of clusters depends on the kind and the number of constituent atoms. The interaction energy between alkali-metal atoms and rare-gas atoms is smaller than the binding energy of spin clusters. Consequently, it is possible to self-organize the alkali-metal-atom clusters on a non-wetting substrate coated with rare-gas atoms.

  6. Metal-Organic Framework of Lanthanoid Dinuclear Clusters Undergoes Slow Magnetic Relaxation

    Directory of Open Access Journals (Sweden)

    Hikaru Iwami

    2017-01-01

    Full Text Available Lanthanoid metal-organic frameworks (Ln-MOFs can adopt a variety of new structures due to the large coordination numbers of Ln metal ions, and Ln-MOFs are expected to show new luminescence and magnetic properties due to the localized f electrons. In particular, some Ln metal ions, such as Dy(III and Tb(III ions, work as isolated quantum magnets when they have magnetic anisotropy. In this work, using 4,4′,4″-s-triazine-2,4,6-triyl-tribenzoic acid (H3TATB as a ligand, two new Ln-MOFs, [Dy(TATB(DMF2] (1 and [Tb(TATB(DMF2] (2, were obtained. The Ln-MOFs contain Ln dinuclear clusters as secondary building units, and 1 underwent slow magnetic relaxation similar to single-molecule magnets.

  7. Three exciting areas of experimental physical sciences : high temperature superconductors, metal clusters and super molecules of carbon

    International Nuclear Information System (INIS)

    Rao, C.N.

    1992-01-01

    The author has narrated his experience in carrying out research in three exciting areas of physical sciences. These areas are : high temperature superconductors, metal clusters and super molecules of carbon. (M.G.B.)

  8. Spectra of globular clusters in the Sombrero galaxy: evidence for spectroscopic metallicity bimodality

    Science.gov (United States)

    Alves-Brito, Alan; Hau, George K. T.; Forbes, Duncan A.; Spitler, Lee R.; Strader, Jay; Brodie, Jean P.; Rhode, Katherine L.

    2011-11-01

    We present a large sample of over 200 integrated-light spectra of confirmed globular clusters (GCs) associated with the Sombrero (M104) galaxy taken with the Deep Imaging Multi-Object Spectrograph (DEIMOS) instrument on the Keck telescope. A significant fraction of the spectra have signal-to-noise ratio levels high enough to allow measurements of GC metallicities using the method of Brodie & Huchra. We find a distribution of spectroscopic metallicities in the range -2.2 < [Fe/H] < +0.1 that is bimodal, with peaks at [Fe/H]˜-1.4 and -0.6. Thus, the GC system of the Sombrero galaxy, like a few other galaxies now studied in detail, reveals a bimodal spectroscopic metallicity distribution supporting the long-held belief that colour bimodality reflects two metallicity subpopulations. This further suggests that the transformation from optical colour to metallicity for old stellar populations, such as GCs, is not strongly non-linear. We also explore the radial and magnitude distribution with metallicity for GC subpopulations but small number statistics prevent any clear trends in these distributions. Based on observations obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California and the National Aeronautics and Space Administration.

  9. Clustered atom-replaced structure in single-crystal-like metal oxide

    Science.gov (United States)

    Araki, Takeshi; Hayashi, Mariko; Ishii, Hirotaka; Yokoe, Daisaku; Yoshida, Ryuji; Kato, Takeharu; Nishijima, Gen; Matsumoto, Akiyoshi

    2018-06-01

    By means of metal organic deposition using trifluoroacetates (TFA-MOD), we replaced and localized two or more atoms in a single-crystalline structure having almost perfect orientation. Thus, we created a new functional structure, namely, clustered atom-replaced structure (CARS), having single-crystal-like metal oxide. We replaced metals in the oxide with Sm and Lu and localized them. Energy dispersive x-ray spectroscopy results, where the Sm signal increases with the Lu signal in the single-crystalline structure, confirm evidence of CARS. We also form other CARS with three additional metals, including Pr. The valence number of Pr might change from 3+ to approximately 4+, thereby reducing the Pr–Ba distance. We directly observed the structure by a high-angle annular dark-field image, which provided further evidence of CARS. The key to establishing CARS is an equilibrium chemical reaction and a combination of additional larger and smaller unit cells to matrix cells. We made a new functional metal oxide with CARS and expect to realize CARS in other metal oxide structures in the future by using the above-mentioned process.

  10. The Trojan. [supersonic transport

    Science.gov (United States)

    1992-01-01

    The Trojan is the culmination of thousands of engineering person-hours by the Cones of Silence Design Team. The goal was to design an economically and technologically viable supersonic transport. The Trojan is the embodiment of the latest engineering tools and technology necessary for such an advanced aircraft. The efficient design of the Trojan allows for supersonic cruise of Mach 2.0 for 5,200 nautical miles, carrying 250 passengers. The per aircraft price is placed at $200 million, making the Trojan a very realistic solution for tomorrows transportation needs. The following is a detailed study of the driving factors that determined the Trojan's super design.

  11. Influence of a transition metal atom on the geometry and electronic structure of Mg and Mg-H clusters

    International Nuclear Information System (INIS)

    Siretskiy, M.Yu.; Shelyapina, M.G.; Fruchart, D.; Miraglia, S.; Skryabina, N.E.

    2009-01-01

    We report on the study of (MgH 2 ) n + M complexes (M = Ti or Ni) carried out within the framework of the cluster density functional theory (DFT) method. The influence of such transition metal atoms on the cluster geometry and electronic structure is discussed considering the stability of MgH 2 hydride.

  12. Major signal suppression from metal ion clusters in SFC/ESI-MS - Cause and effects.

    Science.gov (United States)

    Haglind, Alfred; Hedeland, Mikael; Arvidsson, Torbjörn; Pettersson, Curt E

    2018-05-01

    The widening application area of SFC-MS with polar analytes and water-containing samples facilitates the use of quick and simple sample preparation techniques such as "dilute and shoot" and protein precipitation. This has also introduced new polar interfering components such as alkali metal ions naturally abundant in e.g. blood plasma and urine, which have shown to be retained using screening conditions in SFC/ESI-TOF-MS and causing areas of major ion suppression. Analytes co-eluting with these clusters will have a decreased signal intensity, which might have a major effect on both quantification and identification. When investigating the composition of the alkali metal clusters using accurate mass and isotopic pattern, it could be concluded that they were previously not described in the literature. Using NaCl and KCl standards and different chromatographic conditions, varying e.g. column and modifier, the clusters proved to be formed from the alkali metal ions in combination with the alcohol modifier and make-up solvent. Their compositions were [(XOCH 3 ) n  + X] + , [(XOH) n  + X] + , [(X 2 CO 3 ) n  + X] + and [(XOOCOCH 3 ) n  + X] + for X = Na + or K + in ESI+. In ESI-, the clusters depended more on modifier, with [(XCl) n  + Cl] - and [(XOCH 3 ) n  + OCH 3 ] - mainly formed in pure methanol and [(XOOCH) n  + OOCH] - when 20 mM NH 4 Fa was added. To prevent the formation of the clusters by avoiding methanol as modifier might be difficult, as this is a widely used modifier providing good solubility when analyzing polar compounds in SFC. A sample preparation with e.g. LLE would remove the alkali ions, however also introducing a time consuming and discriminating step into the method. Since the alkali metal ions were retained and affected by chromatographic adjustments as e.g. mobile phase modifications, a way to avoid them could therefore be chromatographic tuning, when analyzing samples containing them. Copyright © 2018 Elsevier

  13. INSIGHTS INTO PRE-ENRICHMENT OF STAR CLUSTERS AND SELF-ENRICHMENT OF DWARF GALAXIES FROM THEIR INTRINSIC METALLICITY DISPERSIONS

    International Nuclear Information System (INIS)

    Leaman, Ryan

    2012-01-01

    Star clusters are known to have smaller intrinsic metallicity spreads than dwarf galaxies due to their shorter star formation timescales. Here we use individual spectroscopic [Fe/H] measurements of stars in 19 Local Group dwarf galaxies, 13 Galactic open clusters, and 49 globular clusters to show that star cluster and dwarf galaxy linear metallicity distributions are binomial in form, with all objects showing strong correlations between their mean linear metallicity Z-bar and intrinsic spread in metallicity σ(Z) 2 . A plot of σ(Z) 2 versus Z-bar shows that the correlated relationships are offset for the dwarf galaxies from the star clusters. The common binomial nature of these linear metallicity distributions can be explained with a simple inhomogeneous chemical evolution model, where the star cluster and dwarf galaxy behavior in the σ(Z) 2 - Z-bar diagram is reproduced in terms of the number of enrichment events, covering fraction, and intrinsic size of the enriched regions. The inhomogeneity of the self-enrichment sets the slope for the observed dwarf galaxy σ(Z) 2 - Z-bar correlation. The offset of the star cluster sequence from that of the dwarf galaxies is due to pre-enrichment, and the slope of the star cluster sequence represents the remnant signature of the self-enriched history of their host galaxies. The offset can be used to separate star clusters from dwarf galaxies without a priori knowledge of their luminosity or dynamical mass. The application of the inhomogeneous model to the σ(Z) 2 - Z-bar relationship provides a numerical formalism to connect the self-enrichment and pre-enrichment between star clusters and dwarf galaxies using physically motivated chemical enrichment parameters. Therefore we suggest that the σ(Z) 2 - Z-bar relationship can provide insight into what drives the efficiency of star formation and chemical evolution in galaxies, and is an important prediction for galaxy simulation models to reproduce.

  14. Slow Cooling in Low Metallicity Clouds: An Origin of Globular Cluster Bimodality?

    Science.gov (United States)

    Fernandez, Ricardo; Bryan, Greg L.

    2018-05-01

    We explore the relative role of small-scale fragmentation and global collapse in low-metallicity clouds, pointing out that in such clouds the cooling time may be longer than the dynamical time, allowing the cloud to collapse globally before it can fragment. This, we suggest, may help to explain the formation of the low-metallicity globular cluster population, since such dense stellar systems need a large amount of gas to be collected in a small region (without significant feedback during the collapse). To explore this further, we carry out numerical simulations of low-metallicity Bonner-Ebert stable gas clouds, demonstrating that there exists a critical metallicity (between 0.001 and 0.01 Z⊙) below which the cloud collapses globally without fragmentation. We also run simulations including a background radiative heating source, showing that this can also produce clouds that do not fragment, and that the critical metallicity - which can exceed the no-radiation case - increases with the heating rate.

  15. SOLAR-LIKE OSCILLATIONS IN A METAL-POOR GLOBULAR CLUSTER WITH THE HUBBLE SPACE TELESCOPE

    International Nuclear Information System (INIS)

    Stello, Dennis; Gilliland, Ronald L.

    2009-01-01

    We present analyses of variability in the red giant stars in the metal-poor globular cluster NGC 6397, based on data obtained with the Hubble Space Telescope. We use a nonstandard data reduction approach to turn a 23 day observing run originally aimed at imaging the white dwarf population, into time-series photometry of the cluster's highly saturated red giant stars. With this technique we obtain noise levels in the final power spectra down to 50 parts per million, which allows us to search for low-amplitude solar-like oscillations. We compare the observed excess power seen in the power spectra with estimates of the typical frequency range, frequency spacing, and amplitude from scaling the solar oscillations. We see evidence that the detected variability is consistent with solar-like oscillations in at least one and perhaps up to four stars. With metallicities 2 orders of magnitude lower than those of the Sun, these stars present so far the best evidence of solar-like oscillations in such a low-metallicity environment.

  16. Chemical study of the metal-rich globular cluster NGC 5927

    Science.gov (United States)

    Mura-Guzmán, A.; Villanova, S.; Muñoz, C.; Tang, B.

    2018-03-01

    Globular clusters (GCs) are natural laboratories where stellar and chemical evolution can be studied in detail. In addition, their chemical patterns and kinematics can tell us to which Galactic structure (disc, bulge, halo or extragalactic) the cluster belongs to. NGC 5927 is one of most metal-rich GCs in the Galaxy and its kinematics links it to the thick disc. We present abundance analysis based on high-resolution spectra of seven giant stars. The data were obtained using Fibre Large Array Multi Element Spectrograph/Ultraviolet Echelle Spectrograph (UVES) spectrograph mounted on UT2 telescope of the European Southern Observatory. The principal objective of this work is to perform a wide and detailed chemical abundance analysis of the cluster and look for possible Multiple Populations (MPs). We determined stellar parameters and measured 22 elements corresponding to light (Na, Al), alpha (O, Mg, Si, Ca, Ti), iron-peak (Sc, V, Cr, Mn, Fe, Co, Ni, Cu, Zn), and heavy elements (Y, Zr, Ba, Ce, Nd, Eu). We found a mean iron content of [Fe/H] = -0.47 ± 0.02 (error on the mean). We confirm the existence of MPs in this GC with an O-Na anti-correlation, and moderate spread in Al abundances. We estimate a mean [α/Fe] = 0.25 ± 0.08. Iron-peak elements show no significant spread. The [Ba/Eu] ratios indicate a predominant contribution from SNeII for the formation of the cluster.

  17. Collective-field-corrected strong field approximation for laser-irradiated metal clusters

    International Nuclear Information System (INIS)

    Keil, Th; Bauer, D

    2014-01-01

    The strong field approximation (SFA) formulated in terms of so-called ‘quantum orbits’ led to much insight into intense-laser driven ionization dynamics. In plain SFA, the emitted electron is treated as a free electron in the laser field alone. However, with improving experimental techniques and more advanced numerical simulations, it becomes more and more obvious that the plain SFA misses interesting effects even on a qualitative level. Examples are holographic side lobes, the low-energy structure, radial patterns in photoelectron spectra at low kinetic energies and strongly rotated angular distributions. For this reason, increasing efforts have been recently devoted to Coulomb corrections of the SFA. In the current paper, we follow a similar line but consider ionization of metal clusters. It is known that photoelectrons from clusters can be much more energetic than those emitted from atoms or small molecules, especially if the Mie resonance of the expanding cluster is evoked. We develop a SFA that takes the collective field inside the cluster via the simple rigid-sphere model into account. Our approach is based on field-corrected quantum orbits so that the acceleration process (or any other spectral feature of interest) can be investigated in detail. (paper)

  18. Main sequence of the metal-poor globular cluster M30 (NGC 7099)

    International Nuclear Information System (INIS)

    Alcaino, G.; Liller, W.

    1980-01-01

    We present photographic photometry for 673 stars in the metal-poor globular cluster M30 (NGC 7099). The Racine wedge was used with the CTIO 1-m Yale telescope (Δm=3/sup m/.60), the CTIO 4-m telescope (Δm=6/sup m/.83), and the ESO 3.6-m telescope (Δm=4/sup m/.12) to extend the photoelectric limit from Vapprox. =16.3 to Vapprox. =20.4. For the main-sequence turn-off, we have determined its position to lie at V=18.4 +- 0.1 (m.e.) and B-V=0.49 +- 0.03 (m.e.). From these values, we calculate the intrinsic values M/sub v/ =3.87 and (B-V) 0 =0.47. For the cluster as a whole, we derive a distance modulus (m-M)/sub V/=14.53 +- 0.15 and reddening E(B-V)=0.02 +- 0.02. Using the models of Iben and Rood [Astrophys. J. 159, 605 (1970)] and the isochrones of Demarque and McClure [(1977), in Evolution of Galaxies and Stellar Populations, edited by B. Tinsley and R. B. Larson (Yale University Observatory, New Haven), p. 199], we deduce the cluster's age to be 14.5( +- 4.0) x 10 9 yr. The large uncertainty in this value emphasizes the dire need for more work on cluster evolution

  19. Tuning the magnetic properties of deposited transition metal clusters by decoration

    Energy Technology Data Exchange (ETDEWEB)

    Minar, Jan; Bornemann, S.; Ebert, H. [Dept. Chemie, LMU, Butenandtstr. 5-13, 81377 Muenchen (Germany); Staunton, J.B. [Department of Physics, University of Warwick (United Kingdom); Rusponi, S.; Brunne, H. [EPF Lausanne (Switzerland)

    2008-07-01

    Using the fully relativistic version of the KKR-method for electronic structure calculations within local spin density functional theory (LSDA) the magnetic properties of Fe, Co and Ni clusters deposited on the Pt(111) surface have been investigated. Of central interest are the role of spin-orbit coupling as it influences the spontaneous formation and orientation of magnetic moments and gives rise amongst others to the occurrence of orbital magnetic moments, the magnetic anisotropy energy (MAE) and magnetic circular dichroism in X-ray absorption (XMCD). Our systematic investigations of different clusters and nanostructures aim to reveal the mutual relationship among their spin-orbit induced properties. In addition they show how their various magnetic properties depend on the structural properties and chemical composition of the studied system. For large two-dimensional clusters we focussed especially on the dependency of the MAE on decoration with another transition metal. Our results are in qualitative agreement with recent experimental findings. We resolved the MAE contributions for inequivalent cluster atoms and will discuss the effect of the induced MAE within the Pt substrate.

  20. An updated survey of globular clusters in M 31. III. A spectroscopic metallicity scale for the Revised Bologna Catalog

    Science.gov (United States)

    Galleti, S.; Bellazzini, M.; Buzzoni, A.; Federici, L.; Fusi Pecci, F.

    2009-12-01

    Aims. We present a new homogeneous set of metallicity estimates based on Lick indices for the old globular clusters of the M 31 galaxy. The final aim is to add homogeneous spectroscopic metallicities to as many entries as possible of the Revised Bologna Catalog of M 31 clusters, by reporting Lick index measurements from any source (literature, new observations, etc.) on the same scale. Methods: New empirical relations of [Fe/H] as a function of [MgFe] and Mg2 indices are based on the well-studied galactic globular clusters, complemented with theoretical model predictions for -0.2≤ [Fe/H]≤ +0.5. Lick indices for M 31 clusters from various literature sources (225 clusters) and from new observations by our team (71 clusters) have been transformed into the Trager et al. system, yielding new metallicity estimates for 245 globular clusters of M 31. Results: Our values are in good agreement with recent estimates based on detailed spectral fitting and with those obtained from color magnitude diagrams of clusters imaged with the Hubble Space Telescope. The typical uncertainty on individual estimates is ≃±0.25 dex, as resulted from the comparison with metallicities derived from color magnitude diagrams of individual clusters. Conclusions: The metallicity distribution of M 31 globular cluster is briefly discussed and compared with that of the Milky Way. Simple parametric statistical tests suggest that the distribution is probably not unimodal. The strong correlation between metallicity and kinematics found in previous studies is confirmed. The most metal-rich GCs tend to be packed into the center of the system and to cluster tightly around the galactic rotation curve defined by the HI disk, while the velocity dispersion about the curve increases with decreasing metallicity. However, also the clusters with [Fe/H]<-1.0 display a clear rotation pattern, at odds with their Milky Way counterparts. Based on observations made at La Palma, at the Spanish Observatorio del Roque

  1. Synthesis and characterization of αzirconium (IV) hydrogenphosphate containing metallic copper clusters

    International Nuclear Information System (INIS)

    Souza, Alexilda Oliveira de; Rangel, Maria do Carmo; Alves, Oswaldo Luiz

    2005-01-01

    The α-zirconium (IV) hydrogenphosphate (α-ZrP) has received great attention in the last years due to its properties like ion exchange, intercalation, ionic conductivity and catalytic activity. This work reports a method to produce metallic copper clusters on α-ZrP to be used as catalysts in petrochemical processes. It was found that the solids were non-crystalline regardless of the uptake of copper and the reduction. The specific surface area increased as a consequence of the increase of the interlayer distance to accept the copper ions between the layers. During the reduction, big clusters of copper (0,5-11μ) with different sizes and shapes were produced. (author)

  2. CHEMICAL ABUNDANCES IN NGC 5053: A VERY METAL-POOR AND DYNAMICALLY COMPLEX GLOBULAR CLUSTER

    Energy Technology Data Exchange (ETDEWEB)

    Boberg, Owen M.; Friel, Eileen D.; Vesperini, Enrico [Astronomy Department, Indiana University, Bloomington, IN 47405 (United States)

    2015-05-10

    NGC 5053 provides a rich environment to test our understanding of the complex evolution of globular clusters (GCs). Recent studies have found that this cluster has interesting morphological features beyond the typical spherical distribution of GCs, suggesting that external tidal effects have played an important role in its evolution and current properties. Additionally, simulations have shown that NGC 5053 could be a likely candidate to belong to the Sagittarius dwarf galaxy (Sgr dSph) stream. Using the Wisconsin–Indiana–Yale–NOAO–Hydra multi-object spectrograph, we have collected high quality (signal-to-noise ratio ∼ 75–90), medium-resolution spectra for red giant branch stars in NGC 5053. Using these spectra we have measured the Fe, Ca, Ti, Ni, Ba, Na, and O abundances in the cluster. We measure an average cluster [Fe/H] abundance of −2.45 with a standard deviation of 0.04 dex, making NGC 5053 one of the most metal-poor GCs in the Milky Way (MW). The [Ca/Fe], [Ti/Fe], and [Ba/Fe] we measure are consistent with the abundances of MW halo stars at a similar metallicity, with alpha-enhanced ratios and slightly depleted [Ba/Fe]. The Na and O abundances show the Na–O anti-correlation found in most GCs. From our abundance analysis it appears that NGC 5053 is at least chemically similar to other GCs found in the MW. This does not, however, rule out NGC 5053 being associated with the Sgr dSph stream.

  3. Chemical Abundances in NGC 5053: A Very Metal-poor and Dynamically Complex Globular Cluster

    Science.gov (United States)

    Boberg, Owen M.; Friel, Eileen D.; Vesperini, Enrico

    2015-05-01

    NGC 5053 provides a rich environment to test our understanding of the complex evolution of globular clusters (GCs). Recent studies have found that this cluster has interesting morphological features beyond the typical spherical distribution of GCs, suggesting that external tidal effects have played an important role in its evolution and current properties. Additionally, simulations have shown that NGC 5053 could be a likely candidate to belong to the Sagittarius dwarf galaxy (Sgr dSph) stream. Using the Wisconsin-Indiana-Yale-NOAO-Hydra multi-object spectrograph, we have collected high quality (signal-to-noise ratio ˜ 75-90), medium-resolution spectra for red giant branch stars in NGC 5053. Using these spectra we have measured the Fe, Ca, Ti, Ni, Ba, Na, and O abundances in the cluster. We measure an average cluster [Fe/H] abundance of -2.45 with a standard deviation of 0.04 dex, making NGC 5053 one of the most metal-poor GCs in the Milky Way (MW). The [Ca/Fe], [Ti/Fe], and [Ba/Fe] we measure are consistent with the abundances of MW halo stars at a similar metallicity, with alpha-enhanced ratios and slightly depleted [Ba/Fe]. The Na and O abundances show the Na-O anti-correlation found in most GCs. From our abundance analysis it appears that NGC 5053 is at least chemically similar to other GCs found in the MW. This does not, however, rule out NGC 5053 being associated with the Sgr dSph stream.

  4. Atmospheric Parameters and Metallicities for 2191 Stars in the Globular Cluster M4

    Science.gov (United States)

    Malavolta, Luca; Sneden, Christopher; Piotto, Giampaolo; Milone, Antonino P.; Bedin, Luigi R.; Nascimbeni, Valerio

    2014-02-01

    We report new metallicities for stars of Galactic globular cluster M4 using the largest number of stars ever observed at high spectral resolution in any cluster. We analyzed 7250 spectra for 2771 cluster stars gathered with the Very Large Telescope (VLT) FLAMES+GIRAFFE spectrograph at VLT. These medium-resolution spectra cover a small wavelength range, and often have very low signal-to-noise ratios. We approached this data set by reconsidering the whole method of abundance analysis of large stellar samples from beginning to end. We developed a new algorithm that automatically determines the atmospheric parameters of a star. Nearly all of the data preparation steps for spectroscopic analyses are processed on the syntheses, not the observed spectra. For 322 red giant branch (RGB) stars with V 14.7, we obtain lang[Fe/H]rang = -1.16 (σ = 0.09) after fixing the microturbulent velocity. These values are consistent with previous studies that have performed detailed analyses of brighter RGB stars at higher spectroscopic resolution and wavelength coverage. It is not clear if the small mean metallicity difference between brighter and fainter M4 members is real or is the result of the low signal-to-noise characteristics of the fainter stars. The strength of our approach is shown by recovering a metallicity close to a single value for more than 2000 stars, using a data set that is non-optimal for atmospheric analyses. This technique is particularly suitable for noisy data taken in difficult observing conditions.

  5. Room-Temperature Synthesis of Transition Metal Clusters and Main Group Polycations from Ionic Liquids

    OpenAIRE

    Ahmed, Ejaz

    2011-01-01

    Main group polycations and transition metal clusters had traditionally been synthesized via high-temperature routes by performing reactions in melts or by CTR, at room-temperature or lower temperature by using so-called superacid solvents, and at room-temperature in benzene–GaX3 media. Considering the major problems associated with higher temperature routes (e.g. long annealing time, risk of product decomposition, and low yield) and taking into account the toxicity of benzene and liquid SO2 i...

  6. A new method for measuring metallicities of young super star clusters

    International Nuclear Information System (INIS)

    Gazak, J. Zachary; Kudritzki, Rolf; Bresolin, Fabio; Davies, Ben; Bastian, Nate; Bergemann, Maria; Plez, Bertrand; Evans, Chris; Patrick, Lee; Schinnerer, Eva

    2014-01-01

    We demonstrate how the metallicities of young super star clusters (SSC) can be measured using novel spectroscopic techniques in the J-band. The near-infrared flux of SSCs older than ∼6 Myr is dominated by tens to hundreds of red supergiant stars. Our technique is designed to harness the integrated light of that population and produces accurate metallicities for new observations in galaxies above (M83) and below (NGC 6946) solar metallicity. In M83 we find [Z] = +0.28 ± 0.14 dex using a moderate resolution (R ∼ 3500) J-band spectrum and in NGC 6496 we report [Z] = -0.32 ± 0.20 dex from a low resolution spectrum of R ∼ 1800. Recently commissioned low resolution multiplexed spectrographs on the Very Large Telescope (KMOS) and Keck (MOSFIRE) will allow accurate measurements of SSC metallicities across the disks of star-forming galaxies up to distances of 70 Mpc with single night observation campaigns using the method presented in this paper.

  7. Electronic structures and water reactivity of mixed metal sulfide cluster anions

    Energy Technology Data Exchange (ETDEWEB)

    Saha, Arjun; Raghavachari, Krishnan [Department of Chemistry, Indiana University, Bloomington, Indiana 47405 (United States)

    2014-08-21

    The electronic structures and chemical reactivity of the mixed metal sulfide cluster anion (MoWS{sub 4}{sup −}) have been investigated with density functional theory. Our study reveals the presence of two almost isoenergetic structural isomers, both containing two bridging sulfur atoms in a quartet state. However, the arrangement of the terminal sulfur atoms is different in the two isomers. In one isomer, the two metals are in the same oxidation state (each attached to one terminal S). In the second isomer, the two metals are in different oxidation states (with W in the higher oxidation state attached to both terminal S). The reactivity of water with the two lowest energy isomers has also been studied, with an emphasis on pathways leading to H{sub 2} release. The reactive behavior of the two isomers is different though the overall barriers in both systems are small. The origin of the differences are analyzed and discussed. The reaction pathways and barriers are compared with the corresponding behavior of monometallic sulfides (Mo{sub 2}S{sub 4}{sup −} and W{sub 2}S{sub 4}{sup −}) as well as mixed metal oxides (MoWO{sub 4}{sup −})

  8. Supersonic laser spray of aluminium alloy on a ceramic substrate

    International Nuclear Information System (INIS)

    Riveiro, A.; Lusquinos, F.; Comesana, R.; Quintero, F.; Pou, J.

    2007-01-01

    Applying a ceramic coating onto a metallic substrate to improve its wear resistance or corrosion resistance has attracted the interest of many researchers during decades. However, only few works explore the possibility to apply a metallic layer onto a ceramic material. This work presents a novel technique to coat ceramic materials with metals: the supersonic laser spraying. In this technique a laser beam is focused on the surface of the precursor metal in such a way that the metal is transformed to the liquid state in the beam-metal interaction zone. A supersonic jet expels the molten material and propels it to the surface of the ceramic substrate. In this study, we present the preliminary results obtained using the supersonic laser spray to coat a commercial cordierite ceramic plate with an Al-Cu alloy using a 3.5 kW CO 2 laser and a supersonic jet of Argon. Coatings were characterized by scanning electron microscopy (SEM) and interferometric profilometry

  9. Relaxation processes in optically excites metal clusters; Relaxationsprozesse in optisch angeregten Metallclustern

    Energy Technology Data Exchange (ETDEWEB)

    Stanzel, J.

    2007-08-10

    The present work is concerned with the dynamics of optically excited metal clusters in the gas phase. Small mass-selected gold and tungsten cluster anions (Au{sup -}{sub n}, n=5-8, 14, 20 and W{sup -}{sub n}, n=3-14) are studied using femtosecond time-resolved photoelectron spectroscopy. Depending on the electronic structure in the valence region as well as on the optical excitation energy fundamentally different relaxation processes are observed. In small gold cluster anions excited with 1.56 eV an isolated electronically excited state is populated. The time-dependent measurements are strongly sizedependent and open insights into photoinduced geometry changes of the nuclear framework. Oscillatory vibrational wavepacket motion in Au{sup -}{sub 5}, an extremely longlived ({tau} >90 ns) electronically excited state in Au{sup -}{sub 6} as well as photoinduced melting in Au{sup -}{sub 7} and Au{sup -}{sub 8} is monitored in real time. By increasing the OPTICAL excitation energy to 3.12 eV a completely different scenario is observed. A multitude of electronically excited states can be reached upon optical excitation and as a consequence electronic relaxation processes that take place on a time scale of 1 ps are dominating. This is shown for Au{sup -}{sub 7}, Au{sup -}{sub 14} and Au{sup -}{sub 20}. Compared to gold clusters, tungsten clusters are characterized by a significantly higher electronic density of states in the valence region. Therefore electronic relaxation processes are much more likely and take place on a significantly faster time scale. The fast electronic relaxation processes are distinguished from pure vibrational relaxation. It is shown that already in the four atomic tungsten cluster W{sup -}{sub 4} electronic relaxation processes take place on a time scale of 30 fs. In all investigated tungsten cluster anions (W{sup -}{sub n}, n=3-14) an equilibrium between electronic and vibrational system is reached within around 1 ps after optical excitation which

  10. The helium abundance in the metal-poor globular clusters M30 and NGC 6397

    Energy Technology Data Exchange (ETDEWEB)

    Mucciarelli, A.; Lovisi, L.; Lanzoni, B.; Ferraro, F. R. [Dipartimento di Fisica and Astronomia, Università degli Studi di Bologna, Viale Berti Pichat 6/2, I-40127 Bologna (Italy)

    2014-05-01

    We present the helium abundance of the two metal-poor clusters M30 and NGC 6397. Helium estimates have been obtained by using the high-resolution spectrograph FLAMES at the European Southern Observatory Very Large Telescope and by measuring the He I line at 4471 Å in 24 and 35 horizontal branch (HB) stars in M30 and NGC 6397, respectively. This sample represents the largest data set of He abundances collected so far in metal-poor clusters. The He mass fraction turns out to be Y = 0.252 ± 0.003 (σ = 0.021) for M30 and Y = 0.241 ± 0.004 (σ = 0.023) for NGC 6397. These values are fully compatible with the cosmological abundance, thus suggesting that the HB stars are not strongly enriched in He. The small spread of the Y distributions are compatible with those expected from the observed main sequence splitting. Finally, we find a hint of a weak anticorrelation between Y and [O/Fe] in NGC 6397 in agreement with the prediction that O-poor stars are formed by (He-enriched) gas polluted by the products of hot proton-capture reactions.

  11. Open cluster Dolidze 25: Stellar parameters and the metallicity in the Galactic anticentre

    Science.gov (United States)

    Negueruela, I.; Simón-Díaz, S.; Lorenzo, J.; Castro, N.; Herrero, A.

    2015-12-01

    Context. The young open cluster Dolidze 25, in the direction of the Galactic anticentre, has been attributed a very low metallicity, with typical abundances between -0.5 and -0.7 dex below solar. Aims: We intend to derive accurate cluster parameters and accurate stellar abundances for some of its members. Methods: We have obtained a large sample of intermediate- and high-resolution spectra for stars in and around Dolidze 25. We used the fastwind code to generate stellar atmosphere models to fit the observed spectra. We derive stellar parameters for a large number of OB stars in the area, and abundances of oxygen and silicon for a number of stars with spectral types around B0. Results: We measure low abundances in stars of Dolidze 25. For the three stars with spectral types around B0, we find 0.3 dex (Si) and 0.5 dex (O) below the values typical in the solar neighbourhood. These values, even though not as low as those given previously, confirm Dolidze 25 and the surrounding H ii region Sh2-284 as the most metal-poor star-forming environment known in the Milky Way. We derive a distance 4.5 ± 0.3 kpc to the cluster (rG ≈ 12.3 kpc). The cluster cannot be older than ~3 Myr, and likely is not much younger. One star in its immediate vicinity, sharing the same distance, has Si and O abundances at most 0.15 dex below solar. Conclusions: The low abundances measured in Dolidze 25 are compatible with currently accepted values for the slope of the Galactic metallicity gradient, if we take into account that variations of at least ±0.15 dex are observed at a given radius. The area traditionally identified as Dolidze 25 is only a small part of a much larger star-forming region that comprises the whole dust shell associated with Sh2-284 and very likely several other smaller H ii regions in its vicinity. Based on observations made with the Nordic Optical Telescope, the Mercator Telescope, and the telescopes of the Isaac Newton Group.

  12. Hot stars in young massive clusters: Mapping the current Galactic metallicity

    Science.gov (United States)

    de la Fuente, Diego; Najarro, Francisco; Davies, Ben; Trombley, Christine; Figer, Donald F.; Herrero, Artemio

    2013-06-01

    Young Massive Clusters (YMCs) with ages guarantee that these objects present the same chemical composition than the surrounding environment where they are recently born. Finally, the YMCs host very massive stars whose extreme luminosities allow to accomplish detailed spectroscopic analyses even in the most distant regions of the Milky Way. Our group has carried out ISAAC/VLT spectroscopic observations of hot massive stars belonging to several YMCs in different locations around the Galactic disk. As a result, high signal-to-noise, near-infrared spectra of dozens of blue massive stars (including many OB supergiants, Wolf-Rayet stars and a B hypergiant) have been obtained. These data are fully reduced, and NLTE spherical atmosphere modeling is in process. Several line diagnostics will be combined in order to calculate metal abundances accurately for each cluster. The diverse locations of the clusters will allow us to draw a two-dimensional chemical map of the Galactic disk for the first time. The study of the radial and azimuthal variations of elemental abundances will be crucial for understanding the chemical evolution of the Milky Way. Particularly, the ratio between Fe-peak and alpha elements will constitute a powerful tool to investigate the past stellar populations that originated the current Galactic chemistry.

  13. Theoretical study of electronic and dynamic properties of simple metal clusters in jellium model

    International Nuclear Information System (INIS)

    El-Amine Madjet, M.

    1994-01-01

    We have studied the electronic properties of alkali-metal clusters in various theoretical approximations and in the framework of the spherical jellium model. We have investigated the ground state properties of alkali clusters both in the LDA (local density approximation) and in HF (Hartree-Fock) theory. We have compared the LDA predictions of the ground state properties to predictions obtained within the HF theory. Such a comparison permitted us to check the validity of the local density functional theory in describing the ground state of a finite fermion system. For the study of collective dipolar excitations in clusters, we have considered an electromagnetic excitation. We have investigated the collective modes in the following approximations: random phase approximation (RPA), time-dependent local-density approximation (TDLDA) and the sum-rules approach. An assessment of the approximation for the continuum state within the RPA is made by comparing with TDLDA calculations for the static and dynamic electronic properties. The comparative study that we have done on the exchange-correlation effects on the electronic and optical properties have shown that the discrepancies with measured data are due mostly to the jellium approximation for the ionic background. (author). 69 refs., 30 figs., 18 tabs

  14. Density-functional theory study of ionic inhomogeneity in metal clusters using SC-ISJM

    Science.gov (United States)

    Payami, Mahmoud; Mahmoodi, Tahereh

    2017-12-01

    In this work we have applied the recently formulated self-compressed inhomogeneous stabilized jellium model [51] to describe the equilibrium electronic and geometric properties of atomic-closed-shell simple metal clusters of AlN (N = 13, 19, 43, 55, 79, 87, 135, 141), NaN, and CsN (N = 9, 15, 27, 51, 59, 65, 89, 113). To validate the results, we have also performed first-principles pseudo-potential calculations and used them as our reference. In the model, we have considered two regions consisting of ;surface; and ;inner; ones, the border separating them being sharp. This generalization makes possible to decouple the relaxations of different parts of the system. The results show that the present model correctly predicts the size reductions seen in most of the clusters. It also predicts increase in size of some clusters, as observed from first-principles results. Moreover, the changes in inter-layer distances, being as contractions or expansions, are in good agreement with the atomic simulation results. For a more realistic description of the properties, it is possible to improve the method of choosing the surface thicknesses or generalize the model to include more regions than just two.

  15. Homochiral coordination polymers with helixes and metal clusters based on lactate derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Zhong-Xuan, E-mail: xuzhongxuan4201@163.com [Department of Chemistry, Zunyi Normal College, Zunyi, Guizhou 563002 (China); Ma, Yu-Lu [School of Chemical Science and Technology, Yunnan University, Kunming 650091 (China); Lv, Guo-ling [Department of Chemistry, Zunyi Normal College, Zunyi, Guizhou 563002 (China)

    2017-05-15

    Utilizing the lactic acid derivatives (R)-4-(1-carboxyethoxy)benzoic acid (denoted: (R)-H{sub 2}CBA) and (S)-4-(1-carboxyethoxy)benzoic acid (denoted: (S)-H{sub 2}CBA)as chiral linkers to self-assemble with 4, 4′-bipyridine (denoted: BIP) and Cd(II) ions, a couple of three-dimensional homochiral coordination polymers, namely [Cd{sub 3}((R)-CBA){sub 3} (BIP){sub 2}(H{sub 2}O)]·xGuest (1-D) and [Cd{sub 3}((S)-CBA){sub 3}(BIP){sub 2}(H{sub 2}O)]·xGuest (1-L), have been synthesized under solvothermal reaction condition. Single crystal X-ray diffraction analysis reveals the two complexes contain single helical chains based on enantiopure ligands and cadmium clusters. Moreover, some physical characteristics such as PXRD, thermal stability, solid-state circular dichroism (CD) and luminescent were also investigated. - Graphical abstract: Utilizing enantiomeric lactic acid derivatives (R)-H{sub 2}CBA and (S)-H{sub 2}CBA to assemble with Cd{sup 2+} ions and ancillary BIP ligands, a couple of 3D homochiral coordination polymers with metal clusters and helical chains have been prepared by hydrothermal reaction. - Highlights: • Chiral lactic acid derivative. • Enantiomeric coordination polymer. • Helical chain. • Trinuclear cadmium cluster.

  16. clusters

    Indian Academy of Sciences (India)

    2017-09-27

    Sep 27, 2017 ... Author for correspondence (zh4403701@126.com). MS received 15 ... lic clusters using density functional theory (DFT)-GGA of the DMOL3 package. ... In the process of geometric optimization, con- vergence thresholds ..... and Postgraduate Research & Practice Innovation Program of. Jiangsu Province ...

  17. clusters

    Indian Academy of Sciences (India)

    environmental as well as technical problems during fuel gas utilization. ... adsorption on some alloys of Pd, namely PdAu, PdAg ... ried out on small neutral and charged Au24,26,27, Cu,28 ... study of Zanti et al.29 on Pdn (n = 1–9) clusters.

  18. Blood trace metals in a sporadic amyotrophic lateral sclerosis geographical cluster.

    Science.gov (United States)

    De Benedetti, Stefano; Lucchini, Giorgio; Del Bò, Cristian; Deon, Valeria; Marocchi, Alessandro; Penco, Silvana; Lunetta, Christian; Gianazza, Elisabetta; Bonomi, Francesco; Iametti, Stefania

    2017-06-01

    Amyotrophic lateral sclerosis (ALS) is a fatal disorder with unknown etiology, in which genetic and environmental factors interplay to determine the onset and the course of the disease. Exposure to toxic metals has been proposed to be involved in the etiology of the disease either through a direct damage or by promoting oxidative stress. In this study we evaluated the concentration of a panel of metals in serum and whole blood of a small group of sporadic patients, all living in a defined geographical area, for which acid mine drainage has been reported. ALS prevalence in this area is higher than in the rest of Italy. Results were analyzed with software based on artificial neural networks. High concentrations of metals (in particular Se, Mn and Al) were associated with the disease group. Arsenic serum concentration resulted lower in ALS patients, but it positively correlated with disease duration. Comet assay was performed to evaluate endogenous DNA damage that resulted not different between patients and controls. Up to now only few studies considered geographically well-defined clusters of ALS patients. Common geographical origin among patients and controls gave us the chance to perform metallomic investigations under comparable conditions of environmental exposure. Elaboration of these data with software based on machine learning processes has the potential to be extremely useful to gain a comprehensive view of the complex interactions eventually leading to disease, even in a small number of subjects.

  19. Assessment of PM10 and heavy metals concentration in a Ceramic Cluster (NE Spain)

    Science.gov (United States)

    Belen Vicente, Ana; Pardo, Francisco; Sanfeliu, Teofilo; Bech, Joan

    2013-04-01

    Environmental pollution control is one of the most important goals in pollution risk assessment today. The aim of this study is conducting a retrospective view of the evolution of particulate matter (PM10) and heavy metals (As, Cd, Ni and Pb) at different localities in the Spanish cluster ceramic in the period between January 2007 and December 2011. The study area is in the province of Castellón. This province is a strategical area in the framework of European Union Pollution control. Approximately 80% of European ceramic tiles and ceramic frits manufacturers are concentrated in two areas, forming the so-called "Ceramics Clusters"; one is in Modena (Italy) and the other in Castellón (Spain). In this kind of areas, there are a lot of pollutants from this industry that represent an important contribution to soil contamination so it is necessary to control the air quality in them. These atmospheric particles are deposited in the ground through both dry and wet deposition. Soil is a major sink for heavy metals released into the environment. The level of pollution of soils by heavy metals depends on the retention capacity of the soil, especially on physical-chemical properties (mineralogy, grain size, organic matter) affecting soil particle surfaces and also on the chemical properties of the metal. The most direct consequences on the ground of air pollutants are acidification, salinization and the pollutions that can cause heavy metals as components of suspended particulate matter. For this purpose the levels of PM10 in ambient air and the corresponding annual and weekly trend were calculated. The results of the study show that the PM10 and heavy metals concentrations are below the limit values recommended by European Union Legislation for the protection of human health and ecosystems in the study period. There is an important reduction of them from 2009 in all control stations due to the economic crisis. References Moral, R., Gilkes, R.J., Jordán, M.M., 2005

  20. Ligand combination strategy for the preparation of novel low-dimensional and open-framework metal cluster materials

    Science.gov (United States)

    Anokhina, Ekaterina V.

    Low-dimensional and open-framework materials containing transition metals have a wide range of applications in redox catalysis, solid-state batteries, and electronic and magnetic devices. This dissertation reports on research carried out with the goal to develop a strategy for the preparation of low-dimensional and open-framework materials using octahedral metal clusters as building blocks. Our approach takes its roots from crystal engineering principles where the desired framework topologies are achieved through building block design. The key idea of this work is to induce directional bonding preferences in the cluster units using a combination of ligands with a large difference in charge density. This investigation led to the preparation and characterization of a new family of niobium oxychloride cluster compounds with original structure types exhibiting 1ow-dimensional or open-framework character. Most of these materials have framework topologies unprecedented in compounds containing octahedral clusters. Comparative analysis of their structural features indicates that the novel cluster connectivity patterns in these systems are the result of complex interplay between the effects of anisotropic ligand arrangement in the cluster unit and optimization of ligand-counterion electrostatic interactions. The important role played by these factors sets niobium oxychloride systems apart from cluster compounds with one ligand type or statistical ligand distribution where the main structure-determining factor is the total number of ligands. These results provide a blueprint for expanding the ligand combination strategy to other transition metal cluster systems and for the future rational design of cluster-based materials.

  1. Ferromagnetism and suppression of metallic clusters in Fe implanted ZnO -- a phenomenon related to defects?

    International Nuclear Information System (INIS)

    Arenholz, Elke; Zhou, S.; Potzger, K.; Talut, G.; Reuther, H.; Kuepper, K.; Grenzer, J.; Xu, Q.; Mucklich, A.; Helm, M.; Fassbender, J.; Arenholz, E.

    2008-01-01

    We investigated ZnO(0001) single crystals annealed in high vacuum with respect to their magnetic properties and cluster formation tendency after implant-doping with Fe. While metallic Fe cluster formation is suppressed, no evidence for the relevance of the Fe magnetic moment to the observed ferromagnetism was found. The latter along with the cluster suppression is discussed with respect to defects in the ZnO host matrix, since the crystalline quality of the substrates was lowered due to the preparation as observed by x-ray diffraction

  2. Ferromagnetism and suppression of metallic clusters in Fe implanted ZnO: a phenomenon related to defects?

    International Nuclear Information System (INIS)

    Zhou Shengqiang; Potzger, K; Talut, G; Reuther, H; Kuepper, K; Grenzer, J; Xu Qingyu; Muecklich, A; Helm, M; Fassbender, J; Arenholz, E

    2008-01-01

    We investigated ZnO(0 0 0 1) single crystals annealed in high vacuum with respect to their magnetic properties and cluster formation tendency after implant-doping with Fe. While metallic Fe cluster formation is suppressed, no evidence for the relevance of the Fe magnetic moment to the observed ferromagnetism was found. The latter along with the cluster suppression is discussed with respect to defects in the ZnO host matrix, since the crystalline quality of the substrates was lowered due to the preparation as observed by x-ray diffraction

  3. Formation of transition metal cluster adducts on the surface of single-walled carbon nanotubes: HRTEM studies

    KAUST Repository

    Kalinina, Irina V.

    2014-01-01

    We report the formation of chromium clusters on the outer walls of single-walled carbon nanotubes (SWNTs). The clusters were obtained by reacting purified SWNTs with chromium hexacarbonyl in dibutyl ether at 100°C. The functionalized SWNTs were characterized by thermogravimetic analysis, XPS, and high-resolution TEM. The curvature of the SWNTs and the high mobility of the chromium moieties on graphitic surfaces allow the growth of the metal clusters and we propose a mechanism for their formation. © 2014 Taylor and Francis Group, LLC.

  4. Low Metallicities and Old Ages for Three Ultra-diffuse Galaxies in the Coma Cluster

    Science.gov (United States)

    Gu, Meng; Conroy, Charlie; Law, David; van Dokkum, Pieter; Yan, Renbin; Wake, David; Bundy, Kevin; Merritt, Allison; Abraham, Roberto; Zhang, Jielai; Bershady, Matthew; Bizyaev, Dmitry; Brinkmann, Jonathan; Drory, Niv; Grabowski, Kathleen; Masters, Karen; Pan, Kaike; Parejko, John; Weijmans, Anne-Marie; Zhang, Kai

    2018-05-01

    A large population of ultra-diffuse galaxies (UDGs) was recently discovered in the Coma cluster. Here we present optical spectra of three such UDGs, DF 7, DF 44, and DF 17, which have central surface brightnesses of μ g ≈ 24.4–25.1 mag arcsec‑2. The spectra were acquired as part of an ancillary program within the SDSS-IV MaNGA Survey. We stacked 19 fibers in the central regions from larger integral field units (IFUs) per source. With over 13.5 hr of on-source integration, we achieved a mean signal-to-noise ratio in the optical of 9.5 Å‑1, 7.9 Å‑1, and 5.0 Å‑1, respectively, for DF 7, DF 44, and DF 17. Stellar population models applied to these spectra enable measurements of recession velocities, ages, and metallicities. The recession velocities of DF 7, DF 44, and DF 17 are {6599}-25+40 km s‑1, {6402}-39+41 km s‑1, and {8315}-43+43 km s‑1, spectroscopically confirming that all of them reside in the Coma cluster. The stellar populations of these three galaxies are old and metal-poor, with ages of {7.9}-2.5+3.6 Gyr, {8.9}-3.3+4.3 Gyr, and {9.1}-5.5+3.9 Gyr, and iron abundances of [Fe/H] -{1.0}-0.4+0.3, -{1.3}-0.4+0.4, and -{0.8}-0.5+0.5, respectively. Their stellar masses are (3–6) × 108 M ⊙. The UDGs in our sample are as old or older than galaxies at similar stellar mass or velocity dispersion (only DF 44 has an independently measured dispersion). They all follow the well-established stellar mass–stellar metallicity relation, while DF 44 lies below the velocity dispersion-metallicity relation. These results, combined with the fact that UDGs are unusually large for their stellar masses, suggest that stellar mass plays a more important role in setting stellar population properties for these galaxies than either size or surface brightness.

  5. Continuous supersonic plasma wind tunnel

    DEFF Research Database (Denmark)

    Andersen, S.A.; Jensen, Vagn Orla; Nielsen, P.

    1969-01-01

    The normal magnetic field configuration of a Q device has been modified to obtain a 'magnetic Laval nozzle'. Continuous supersonic plasma 'winds' are obtained with Mach numbers ~3. The magnetic nozzle appears well suited for the study of the interaction of supersonic plasma 'winds' with either...

  6. Continuous supersonic plasma wind tunnel

    DEFF Research Database (Denmark)

    Andersen, S.A.; Jensen, Vagn Orla; Nielsen, P.

    1968-01-01

    The B field configuration of a Q-device has been modified into a magnetic Laval nozzle. Continuous supersonic plasma flow is observed with M≈3......The B field configuration of a Q-device has been modified into a magnetic Laval nozzle. Continuous supersonic plasma flow is observed with M≈3...

  7. Liquid-liquid phase separation and cluster formation at deposition of metals under inhomogeneous magnetic field

    Science.gov (United States)

    Gorobets, O. Yu; Gorobets, Yu I.; Rospotniuk, V. P.; Grebinaha, V. I.; Kyba, A. A.

    2017-10-01

    The formation and dynamic of expansion and deformation of the liquid-liquid interface of an electrolyte at deposition of metals at the surface of the magnetized steel ball is considered in this paper. The electrochemical processes were investigated in an external magnetic field directed at an arbitrary angle to the force of gravity. These processes are accompanied by the formation of effectively paramagnetic clusters of electrochemical products - magnions. Tyndall effect was used for detection of the presence of magnions near the magnetized steel electrode in a solution. The shape of the interface separating the regions with different concentration of magnions, i.e. different magnetic susceptibilities, was described theoretically based on the equation of hydrostatic equilibrium which takes into account magnetic, hydrostatic and osmotic pressures.

  8. Assessment of Heavy Metal Pollution in Macrophytes, Water and Sediment of a Tropical Wetland System Using Hierarchical Cluster Analysis Technique

    OpenAIRE

    , N. Kumar J.I.; , M. Das; , R. Mukherji; , R.N. Kumar

    2011-01-01

    Heavy metal pollution in aquatic ecosystems is becoming a global phenomenon because these metals are indestructible and most of them have toxic effects on living organisms. Most of the fresh water bodies all over the world are getting contaminated thus declining their suitability. Therefore, monitoring and assessment of such freshwater systems has become an environmental concern. This study aims to elucidate the useful role of the cluster analysis to assess the relationship and interdependenc...

  9. The Edge supersonic transport

    Science.gov (United States)

    Agosta, Roxana; Bilbija, Dushan; Deutsch, Marc; Gallant, David; Rose, Don; Shreve, Gene; Smario, David; Suffredini, Brian

    1992-01-01

    As intercontinental business and tourism volumes continue their rapid expansion, the need to reduce travel times becomes increasingly acute. The Edge Supersonic Transport Aircraft is designed to meet this demand by the year 2015. With a maximum range of 5750 nm, a payload of 294 passengers and a cruising speed of M = 2.4, The Edge will cut current international flight durations in half, while maintaining competitive first class, business class, and economy class comfort levels. Moreover, this transport will render a minimal impact upon the environment, and will meet all Federal Aviation Administration Part 36, Stage III noise requirements. The cornerstone of The Edge's superior flight performance is its aerodynamically efficient, dual-configuration design incorporating variable-geometry wingtips. This arrangement combines the benefits of a high aspect ratio wing at takeoff and low cruising speeds with the high performance of an arrow-wing in supersonic cruise. And while the structural weight concerns relating to swinging wingtips are substantial, The Edge looks to ever-advancing material technologies to further increase its viability. Heeding well the lessons of the past, The Edge design holds economic feasibility as its primary focus. Therefore, in addition to its inherently superior aerodynamic performance, The Edge uses a lightweight, largely windowless configuration, relying on a synthetic vision system for outside viewing by both pilot and passengers. Additionally, a fly-by-light flight control system is incorporated to address aircraft supersonic cruise instability. The Edge will be produced at an estimated volume of 400 aircraft and will be offered to airlines in 2015 at $167 million per transport (1992 dollars).

  10. LIGHT-ELEMENT ABUNDANCE VARIATIONS AT LOW METALLICITY: THE GLOBULAR CLUSTER NGC 5466

    International Nuclear Information System (INIS)

    Shetrone, Matthew; Martell, Sarah L.; Wilkerson, Rachel; Adams, Joshua; Siegel, Michael H.; Smith, Graeme H.; Bond, Howard E.

    2010-01-01

    We present low-resolution (R ≅850) spectra for 67 asymptotic giant branch (AGB), horizontal branch, and red giant branch (RGB) stars in the low-metallicity globular cluster NGC 5466, taken with the VIRUS-P integral-field spectrograph at the 2.7 m Harlan J. Smith telescope at McDonald Observatory. Sixty-six stars are confirmed, and one rejected, as cluster members based on radial velocity, which we measure to an accuracy of 16 km s -1 via template-matching techniques. CN and CH band strengths have been measured for 29 RGB and AGB stars in NGC 5466, and the band-strength indices measured from VIRUS-P data show close agreement with those measured from Keck/LRIS spectra previously taken for five of our target stars. We also determine carbon abundances from comparisons with synthetic spectra. The RGB stars in our data set cover a range in absolute V magnitude from +2 to -3, which permits us to study the rate of carbon depletion on the giant branch as well as the point of its onset. The data show a clear decline in carbon abundance with rising luminosity above the luminosity function 'bump' on the giant branch, and also a subdued range in CN band strength, suggesting ongoing internal mixing in individual stars but minor or no primordial star-to-star variation in light-element abundances.

  11. A numerical study of spin-dependent organization of alkali-metal atomic clusters using density-functional method

    Energy Technology Data Exchange (ETDEWEB)

    Liu Xuan, E-mail: liu.x.ad@m.titech.ac.jp; Ito, Haruhiko [Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology (Japan); Torikai, Eiko [Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi (Japan)

    2012-08-15

    We calculate the different geometric isomers of spin clusters composed of a small number of alkali-metal atoms using the UB3LYP density-functional method. The electron density distribution of clusters changes according to the value of total spin. Steric structures as well as planar structures arise when the number of atoms increases. The lowest spin state is the most stable and Li{sub n}, Na{sub n}, K{sub n}, Rb{sub n}, and Cs{sub n} with n = 2-8 can be formed in higher spin states. In the highest spin state, the preparation of clusters depends on the kind and the number of constituent atoms. The interaction energy between alkali-metal atoms and rare-gas atoms is smaller than the binding energy of spin clusters. Consequently, it is possible to self-organize the alkali-metal-atom clusters on a non-wetting substrate coated with rare-gas atoms.

  12. Effects of Carbonyl Bond and Metal Cluster Dissociation and Evaporation Rates on Predictions of Nanotube Production in HiPco

    Science.gov (United States)

    Scott, Carl D.; Smalley, Richard E.

    2002-01-01

    The high-pressure carbon monoxide (HiPco) process for producing single-wall carbon nanotubes (SWNT) uses iron pentacarbonyl as the source of iron for catalyzing the Boudouard reaction. Attempts using nickel tetracarbonyl led to no production of SWNTs. This paper discusses simulations at a constant condition of 1300 K and 30 atm in which the chemical rate equations are solved for different reaction schemes. A lumped cluster model is developed to limit the number of species in the models, yet it includes fairly large clusters. Reaction rate coefficients in these schemes are based on bond energies of iron and nickel species and on estimates of chemical rates for formation of SWNTs. SWNT growth is measured by the co-formation of CO2. It is shown that the production of CO2 is significantly greater for FeCO due to its lower bond energy as compared with that ofNiCO. It is also shown that the dissociation and evaporation rates of atoms from small metal clusters have a significant effect on CO2 production. A high rate of evaporation leads to a smaller number of metal clusters available to catalyze the Boudouard reaction. This suggests that if CO reacts with metal clusters and removes atoms from them by forming MeCO, this has the effect of enhancing the evaporation rate and reducing SWNT production. The study also investigates some other reactions in the model that have a less dramatic influence.

  13. Independent control of metal cluster and ceramic particle characteristics during one-step synthesis of Pt/TiO2

    DEFF Research Database (Denmark)

    Schulz, H.; Madler, L.; Strobel, R.

    2005-01-01

    Rapid quenching during flame spray synthesis of Pt/TiO2 (0-10 Wt% Pt) is demonstrated as a versatile method for independent control of support (TiO2) and noble metal (Pt)cluster characteristics. Titania grain size, morphology, crystal phase structure, and crystal size were analyzed by nitrogen ad...

  14. Investigating the synthesis of ligated metal clusters in solution using a flow reactor and electrospray ionization mass spectrometry.

    Science.gov (United States)

    Olivares, Astrid; Laskin, Julia; Johnson, Grant E

    2014-09-18

    The scalable synthesis of ligated subnanometer metal clusters containing an exact number of atoms is of interest due to the highly size-dependent catalytic, electronic, and optical properties of these species. While significant research has been conducted on the batch preparation of clusters through reduction synthesis in solution, the processes of metal complex reduction as well as cluster nucleation, growth, and postreduction etching are still not well understood. Herein, we demonstrate a prototype temperature-controlled flow reactor for qualitatively studying cluster formation in solution at steady-state conditions. Employing this technique, methanol solutions of a chloro(triphenylphosphine)gold precursor, 1,4-bis(diphenylphosphino)butane capping ligand, and borane-tert-butylamine reducing agent were combined in a mixing tee and introduced into a heated capillary with a known length. In this manner, the temperature dependence of the relative abundance of different ionic reactants, intermediates, and products synthesized in real time was characterized qualitatively using online mass spectrometry. A wide distribution of doubly and triply charged cationic gold clusters was observed as well as smaller singly charged organometallic complexes. The results demonstrate that temperature plays a crucial role in determining the relative population of cationic gold clusters and, in general, that higher temperature promotes the formation of doubly charged clusters and singly charged organometallic complexes while reducing the abundance of triply charged species. Moreover, the distribution of clusters observed at elevated temperatures is found to be consistent with that obtained at longer reaction times at room temperature, thereby demonstrating that heating may be used to access cluster distributions characteristic of different stages of batch reduction synthesis in solution.

  15. A new family of Ln₇ clusters with an ideal D(3h) metal-centered trigonal prismatic geometry, and SMM and photoluminescence behaviors.

    Science.gov (United States)

    Mazarakioti, Eleni C; Poole, Katye M; Cunha-Silva, Luis; Christou, George; Stamatatos, Theocharis C

    2014-08-14

    The first use of the flexible Schiff base ligand N-salicylidene-2-aminocyclohexanol in metal cluster chemistry has afforded a new family of Ln7 clusters with ideal D(3h) point group symmetry and metal-centered trigonal prismatic topology; solid-state and solution studies revealed SMM and photoluminescence behaviors.

  16. Generalized vibrating potential model for collective excitations in spherical, deformed and superdeformed systems: (1) atomic nuclei, (2) metal clusters

    International Nuclear Information System (INIS)

    Nesterenko, V.O.; Kleinig, W.

    1995-01-01

    The self-consistent vibrating potential model (VPM) is extended for description of Eλ collective excitations in atomic nuclei and metal clusters with practically any kind of static deformation. The model is convenient for a qualitative analysis and provides the RPA accuracy of numerical calculations. The VPM is applied to study Eλ giant resonances in spherical metal clusters and deformed and superdeformed nuclei. It is shown that the deformation splitting of superdeformed nuclei results in a very complicated (''jungle-like'') structure of the resonances, which makes the experimental observation of E2 and E3 giant resonances in superdeformed nuclei quite problematic. Calculations of E1 giant resonance in spherical sodium clusters Na 8 , Na 20 and Na 40 are presented, as a test of the VPM in this field. The results are in qualitative agreement with the experimental data. (orig.)

  17. Ab initio study of neutral (TiO2)n clusters and their interactions with water and transition metal atoms

    International Nuclear Information System (INIS)

    Çakır, D; Gülseren, O

    2012-01-01

    We have systematically investigated the growth behavior and stability of small stoichiometric (TiO 2 ) n (n = 1-10) clusters as well as their structural, electronic and magnetic properties by using the first-principles plane wave pseudopotential method within density functional theory. In order to find out the ground state geometries, a large number of initial cluster structures for each n has been searched via total energy calculations. Generally, the ground state structures for the case of n = 1-9 clusters have at least one monovalent O atom, which only binds to a single Ti atom. However, the most stable structure of the n = 10 cluster does not have any monovalent O atom. On the other hand, Ti atoms are at least fourfold coordinated for the ground state structures for n ≥ 4 clusters. Our calculations have revealed that clusters prefer to form three-dimensional structures. Furthermore, all these stoichiometric clusters have nonmagnetic ground state. The formation energy and the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap for the most stable structure of (TiO 2 ) n clusters for each n have also been calculated. The formation energy and hence the stability increases as the cluster size grows. In addition, the interactions between the ground state structure of the (TiO 2 ) n cluster and a single water molecule have been studied. The binding energy (E b ) of the H 2 O molecule exhibits an oscillatory behavior with the size of the clusters. A single water molecule preferably binds to the cluster Ti atom through its oxygen atom, resulting an average binding energy of 1.1 eV. We have also reported the interaction of the selected clusters (n = 3, 4, 10) with multiple water molecules. We have found that additional water molecules lead to a decrease in the binding energy of these molecules to the (TiO 2 ) n clusters. Finally, the adsorption of transition metal (TM) atoms (V, Co and Pt) on the n = 10 cluster has been

  18. A Wide-Field Photometric Survey for Extratidal Tails Around Five Metal-Poor Globular Clusters in the Galactic Halo

    Science.gov (United States)

    Chun, Sang-Hyun; Kim, Jae-Woo; Sohn, Sangmo T.; Park, Jang-Hyun; Han, Wonyong; Kim, Ho-Il; Lee, Young-Wook; Lee, Myung Gyoon; Lee, Sang-Gak; Sohn, Young-Jong

    2010-02-01

    Wide-field deep g'r'i' images obtained with the Megacam of the Canada-France-Hawaii Telescope are used to investigate the spatial configuration of stars around five metal-poor globular clusters M15, M30, M53, NGC 5053, and NGC 5466, in a field-of-view ~3°. Applying a mask filtering algorithm to the color-magnitude diagrams of the observed stars, we sorted cluster's member star candidates that are used to examine the characteristics of the spatial stellar distribution surrounding the target clusters. The smoothed surface density maps and the overlaid isodensity contours indicate that all of the five metal-poor globular clusters exhibit strong evidence of extratidal overdensity features over their tidal radii, in the form of extended tidal tails around the clusters. The orientations of the observed extratidal features show signatures of tidal tails tracing the clusters' orbits, inferred from their proper motions, and effects of dynamical interactions with the Galaxy. Our findings include detections of a tidal bridge-like feature and an envelope structure around the pair of globular clusters M53 and NGC 5053. The observed radial surface density profiles of target clusters have a deviation from theoretical King models, for which the profiles show a break at 0.5-0.7rt , extending the overdensity features out to 1.5-2rt . Both radial surface density profiles for different angular sections and azimuthal number density profiles confirm the overdensity features of tidal tails around the five metal-poor globular clusters. Our results add further observational evidence that the observed metal-poor halo globular clusters originate from an accreted satellite system, indicative of the merging scenario of the formation of the Galactic halo. Based on observations carried out at the Canada-France-Hawaii Telescope, operated by the National Research Council of Canada, the Centre National de la Recherche Scientifique de France, and the University of Hawaii. This is part of the

  19. Active Control of Supersonic Impinging Jets Using Supersonic Microjets

    National Research Council Canada - National Science Library

    Alvi, Farrukh

    2005-01-01

    .... Supersonic impinging jets occur in many applications including in STOVL aircraft where they lead to a highly oscillatory flow with very high unsteady loads on the nearby aircraft structures and the landing surfaces...

  20. Super-solar Metallicity Stars in the Galactic Center Nuclear Star Cluster: Unusual Sc, V, and Y Abundances

    Science.gov (United States)

    Do, Tuan; Kerzendorf, Wolfgang; Konopacky, Quinn; Marcinik, Joseph M.; Ghez, Andrea; Lu, Jessica R.; Morris, Mark R.

    2018-03-01

    We present adaptive-optics assisted near-infrared high-spectral-resolution observations of late-type giants in the nuclear star cluster of the Milky Way. The metallicity and elemental abundance measurements of these stars offer us an opportunity to understand the formation and evolution of the nuclear star cluster. In addition, their proximity to the supermassive black hole (∼0.5 pc) offers a unique probe of the star formation and chemical enrichment in this extreme environment. We observed two stars identified by medium spectral-resolution observations as potentially having very high metallicities. We use spectral-template fitting with the PHOENIX grid and Bayesian inference to simultaneously constrain the overall metallicity, [M/H], alpha-element abundance [α/Fe], effective temperature, and surface gravity of these stars. We find that one of the stars has very high metallicity ([M/H] > 0.6) and the other is slightly above solar metallicity. Both Galactic center stars have lines from scandium (Sc), vanadium (V), and yttrium (Y) that are much stronger than allowed by the PHOENIX grid. We find, using the spectral synthesis code Spectroscopy Made Easy, that [Sc/Fe] may be an order of magnitude above solar. For comparison, we also observed an empirical calibrator in NGC 6791, the highest metallicity cluster known ([M/H] ∼ 0.4). Most lines are well matched between the calibrator and the Galactic center stars, except for Sc, V, and Y, which confirms that their abundances must be anomalously high in these stars. These unusual abundances, which may be a unique signature of nuclear star clusters, offer an opportunity to test models of chemical enrichment in this region.

  1. Comparison between XAS, AWAXS and DAFS applied to nanometer scale supported metallic clusters. Pt.2; bimetallic clusters

    International Nuclear Information System (INIS)

    Bazin, D.; Sayers, D.

    1993-01-01

    The structural information obtained using three techniques related to synchrotron radiation are compared. XAS (X-ray Absorption Spectroscopy), AWAXS (Anomalous Wide Angle X-ray Scattering) and DAFS (Diffraction Anomalous Fine Structure) are applied to the study of nanometer scale bimetallic clusters. (author)

  2. Metal nitride cluster as a template to tune the electronic and magnetic properties of rare-earth metal containing endohedral fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yang

    2013-10-16

    Rare-earth metal containing endohedral fullerenes have attracted much attention due to the feasibility of encaging metal atom, atoms or cluster inside of carbon cages. By switching the metal atom or cluster entrapped inside of the carbon cage the physical and chemical properties of the fullerene compounds can be tuned. The understanding of magnetic and electrochemical properties of endohedral fullerenes plays an essential role in fundamental scientific researches and potential applications in materials science. In this thesis, synthesizing novel rare-earth metal containing endohedral fullerene structures, studying the properties of these isolated endohedral fullerenes and the strategies of tuning the electronic and magnetic properties of endohedral fullerenes were introduced. The DC-arc discharging synthesis of different lanthanide metal-based (Ho, Ce and Pr) mixed metal nitride clusterfullerenes was achieved. Those rare-earth metal containing endohedral fullerenes were isolated by multi-step HPLC. The isolated samples were characterized by spectroscopic techniques included UV-vis-NIR, FTIR, Raman, LDI-TOF mass spectrometry, NMR and electrochemistry. The Ho-based mixed metal nitride clusterfullerenes Ho{sub x}M{sub 3-x}N rate at C{sub 80} (M= Sc, Lu, Y; x=1, 2) were synthesized by ''reactive gas atmosphere'' method or ''selective organic solid'' route. The isolated samples were characterized by LDI-TOF mass spectrometry, UV-vis-NIR, FTIR, Raman and NMR spectroscopy. The {sup 13}C NMR spectroscopic studies demonstrated exceptional NMR behaviors that resulted from switching the second metal inside of the mixed metal nitride cluster Ho{sub x}M{sub 3-x}N from Sc to Lu and further to Y. The LnSc{sub 2}N rate at C{sub 80} (Ln= Ce, Pr, Nd, Tb, Dy, Ho, Lu) MMNCFs were characterized by {sup 13}C and {sup 45}Sc NMR study respectively. According to Bleaney's theory and Reilley method, the separation of δ{sup PC} and δ{sup con

  3. Metal nitride cluster as a template to tune the electronic and magnetic properties of rare-earth metal containing endohedral fullerenes

    International Nuclear Information System (INIS)

    Zhang, Yang

    2013-01-01

    Rare-earth metal containing endohedral fullerenes have attracted much attention due to the feasibility of encaging metal atom, atoms or cluster inside of carbon cages. By switching the metal atom or cluster entrapped inside of the carbon cage the physical and chemical properties of the fullerene compounds can be tuned. The understanding of magnetic and electrochemical properties of endohedral fullerenes plays an essential role in fundamental scientific researches and potential applications in materials science. In this thesis, synthesizing novel rare-earth metal containing endohedral fullerene structures, studying the properties of these isolated endohedral fullerenes and the strategies of tuning the electronic and magnetic properties of endohedral fullerenes were introduced. The DC-arc discharging synthesis of different lanthanide metal-based (Ho, Ce and Pr) mixed metal nitride clusterfullerenes was achieved. Those rare-earth metal containing endohedral fullerenes were isolated by multi-step HPLC. The isolated samples were characterized by spectroscopic techniques included UV-vis-NIR, FTIR, Raman, LDI-TOF mass spectrometry, NMR and electrochemistry. The Ho-based mixed metal nitride clusterfullerenes Ho x M 3-x N rate at C 80 (M= Sc, Lu, Y; x=1, 2) were synthesized by ''reactive gas atmosphere'' method or ''selective organic solid'' route. The isolated samples were characterized by LDI-TOF mass spectrometry, UV-vis-NIR, FTIR, Raman and NMR spectroscopy. The 13 C NMR spectroscopic studies demonstrated exceptional NMR behaviors that resulted from switching the second metal inside of the mixed metal nitride cluster Ho x M 3-x N from Sc to Lu and further to Y. The LnSc 2 N rate at C 80 (Ln= Ce, Pr, Nd, Tb, Dy, Ho, Lu) MMNCFs were characterized by 13 C and 45 Sc NMR study respectively. According to Bleaney's theory and Reilley method, the separation of δ PC and δ con from δ para was achieved by the primary 13 C and 45 Sc NMR analysis of LnSc 2 N rate at C 80 (I). The

  4. Evidence for the direct ejection of clusters from non-metallic solids during laser vaporization

    International Nuclear Information System (INIS)

    Bloomfield, L.A.; Yang, Y.A.; Xia, P.; Junkin, A.L.

    1991-01-01

    This paper reports on the formation of molecular scale particles or clusters of alkali halides and semiconductors during laser vaporization of solids. By measuring the abundances of cluster ions produced in several different source configurations, the authors have determined that clusters are ejected directly from the source sample and do not need to grow from atomic or molecular vapor. Using samples of mixed alkali halide powders, the authors have found that unalloyed clusters are easily produced in a source that prevents growth from occurring after the clusters leave the sample surface. However, melting the sample or encouraging growth after vaporization lead to the production of alloyed cluster species. The sizes of the ejected clusters are initially random, but the population spectrum quickly becomes structured as hot, unstable-sized clusters decay into smaller particles. In carbon, large clusters with odd number of atoms decay almost immediately. The hot even clusters also decay, but much more slowly. The longest lived clusters are the magic C 50 and C 60 fullerenes. The mass spectrum of large carbon clusters evolves in time from structureless, to only the even clusters, to primarily C 50 and C 60 . If cluster growth is encouraged, the odd clusters reappear and the population spectrum again becomes relatively structureless

  5. Detonation in supersonic radial outflow

    KAUST Repository

    Kasimov, Aslan R.; Korneev, Svyatoslav

    2014-01-01

    We report on the structure and dynamics of gaseous detonation stabilized in a supersonic flow emanating radially from a central source. The steady-state solutions are computed and their range of existence is investigated. Two-dimensional simulations

  6. Electronic Structure of Transition Metal Clusters, Actinide Complexes and Their Reactivities

    Energy Technology Data Exchange (ETDEWEB)

    Krishnan Balasubramanian

    2009-07-18

    methods with all-electron Douglas-Kroll relativistic methods. We have the capabilities for computing full CI extrapolations including spin-orbit effects and several one-electron properties and electron density maps including spin-orbit effects. We are continuously collaborating with several experimental groups around the country and at National Labs to carry out computational studies on the DOE-BES funded projects. The past work in the last 3 years was primarily motivated and driven by the concurrent or recent experimental studies on these systems. We were thus significantly benefited by coordinating our computational efforts with experimental studies. The interaction between theory and experiment has resulted in some unique and exciting opportunities. For example, for the very first time ever, the upper spin-orbit component of a heavy trimer such as Au{sub 3} was experimentally observed as a result of our accurate computational study on the upper electronic states of gold trimer. Likewise for the first time AuH{sub 2} could be observed and interpreted clearly due to our computed potential energy surfaces that revealed the existence of a large barrier to convert the isolated AuH{sub 2} back to Au and H{sub 2}. We have also worked on yet to be observed systems and have made predictions for future experiments. We have computed the spectroscopic and thermodynamic properties of transition metal carbides transition metal clusters and compared our electronic states to the anion photodetachment spectra of Lai Sheng Wang. Prof Mike Morse and coworkers(funded also by DOE-BES) and Prof Stimle and coworkers(also funded by DOE-BES) are working on the spectroscopic properties of transition metal carbides and nitrides. Our predictions on the excited states of transition metal clusters such as Hf{sub 3}, Nb{sub 2}{sup +} etc., have been confirmed experimentally by Prof. Lombardi and coworkers using resonance Raman spectroscopy. We have also been studying larger complexes critical to the

  7. Electronic Structure of Transition Metal Clusters, Actinide Complexes and Their Reactivities

    International Nuclear Information System (INIS)

    Balasubramanian, Krishnan

    2009-01-01

    methods with all-electron Douglas-Kroll relativistic methods. We have the capabilities for computing full CI extrapolations including spin-orbit effects and several one-electron properties and electron density maps including spin-orbit effects. We are continuously collaborating with several experimental groups around the country and at National Labs to carry out computational studies on the DOE-BES funded projects. The past work in the last 3 years was primarily motivated and driven by the concurrent or recent experimental studies on these systems. We were thus significantly benefited by coordinating our computational efforts with experimental studies. The interaction between theory and experiment has resulted in some unique and exciting opportunities. For example, for the very first time ever, the upper spin-orbit component of a heavy trimer such as Au 3 was experimentally observed as a result of our accurate computational study on the upper electronic states of gold trimer. Likewise for the first time AuH 2 could be observed and interpreted clearly due to our computed potential energy surfaces that revealed the existence of a large barrier to convert the isolated AuH 2 back to Au and H 2 . We have also worked on yet to be observed systems and have made predictions for future experiments. We have computed the spectroscopic and thermodynamic properties of transition metal carbides transition metal clusters and compared our electronic states to the anion photodetachment spectra of Lai Sheng Wang. Prof Mike Morse and coworkers(funded also by DOE-BES) and Prof Stimle and coworkers(also funded by DOE-BES) are working on the spectroscopic properties of transition metal carbides and nitrides. Our predictions on the excited states of transition metal clusters such as Hf 3 , Nb 2 + etc., have been confirmed experimentally by Prof. Lombardi and coworkers using resonance Raman spectroscopy. We have also been studying larger complexes critical to the environmental management of high

  8. THE MASS-METALLICITY RELATION OF GLOBULAR CLUSTERS IN THE CONTEXT OF NONLINEAR COLOR-METALLICTY RELATIONS

    International Nuclear Information System (INIS)

    Blakeslee, John P.; Cantiello, Michele; Peng, Eric W.

    2010-01-01

    Two recent empirical developments in the study of extragalactic globular cluster (GC) populations are the color-magnitude relation of the blue GCs (the 'blue tilt') and the nonlinearity of the dependence of optical GC colors on metallicity. The color-magnitude relation, interpreted as a mass-metallicity relation, is thought to be a consequence of self-enrichment. Nonlinear color-metallicity relations have been shown to produce bimodal color distributions from unimodal metallicity distributions. We simulate GC populations including both a mass-metallicity scaling relation and nonlinear color-metallicity relations motivated by theory and observations. Depending on the assumed range of metallicities and the width of the GC luminosity function (GCLF), we find that the simulated populations can have bimodal color distributions with a 'blue tilt' similar to observations, even though the metallicity distribution appears unimodal. The models that produce these features have the relatively high mean GC metallicities and nearly equal blue and red peaks characteristic of giant elliptical galaxies. The blue tilt is less apparent in the models with metallicities typical of dwarf ellipticals; the narrower GCLF in these galaxies has an even bigger effect in reducing the significance of their color-magnitude slopes. We critically examine the evidence for nonlinearity versus bimodal metallicities as explanations for the characteristic double-peaked color histograms of giant ellipticals and conclude that the question remains open. We discuss the prospects for further theoretical and observational progress in constraining the models presented here and for uncovering the true metallicity distributions of extragalactic GC systems.

  9. Radiation clusters formation and evolution in FCC metals at low-temperature neutron irradiation up to small damage fluences

    International Nuclear Information System (INIS)

    Kozlov, A.V.; Shcherbakov, E.N.; Asiptsov, O.I.; Skryabin, L.A.; Portnykh, I.A.

    2006-01-01

    Methods of transmission electron microscopy and precision size measurements are used to study the formation of radiation-induced clusters in FCC metals (Ni, Pt, austenitic steels EhI-844, ChS-68) irradiated with fast neutron (E>0.1 MeV) fluences from 7 x 10 21 up to 3.5 x 10 22 m -2 at a temperature of 310 K. Using statistical thermodynamic methods the process of radiation clusters formation and evolution is described quantitatively. The change in the concentration of point defects under irradiation as well as size variations of irradiated specimens on annealing are calculated [ru

  10. Variable stars in metal-rich globular clusters. IV. Long-period variables in NGC 6496

    Energy Technology Data Exchange (ETDEWEB)

    Abbas, Mohamad A. [Astronomisches Rechen-Institut, Zentrum für Astronomie der Universität Heidelberg, Mönchhofstr. 12-14, D-69120 Heidelberg (Germany); Layden, Andrew C.; Guldenschuh, Katherine A. [Physics and Astronomy Department, Bowling Green State University, Bowling Green, OH 43403 (United States); Reichart, D. E.; Ivarsen, K. M.; Haislip, J. B.; Nysewander, M. C.; LaCluyze, A. P. [Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC 27599 (United States); Welch, Douglas L., E-mail: mabbas@ari.uni-heidelberg.de, E-mail: laydena@bgsu.edu [Department of Physics and Astronomy, McMaster University, Hamilton, Ontario, L8 S 4M1 (Canada)

    2015-02-01

    We present VI-band photometry for stars in the metal-rich globular cluster NGC 6496. Our time-series data were cadenced to search for long-period variables (LPVs) over a span of nearly two years, and our variability search yielded the discovery of 13 new variable stars, of which 6 are LPVs, 2 are suspected LPVs, and 5 are short-period eclipsing binaries. An additional star was found in the ASAS database, and we clarify its type and period. We argue that all of the eclipsing binaries are field stars, while five to six of the LPVs are members of NGC 6496. We compare the period–luminosity distribution of these LPVs with those of LPVs in the Large Magellanic Cloud and 47 Tucanae, and with theoretical pulsation models. We also present a VI color–magnitude diagram, display the evolutionary states of the variables, and match isochrones to determine a reddening of E(B−V)= 0.21±0.02 mag and apparent distance modulus of 15.60±0.15 mag.

  11. Supersonic induction plasma jet modeling

    International Nuclear Information System (INIS)

    Selezneva, S.E.; Boulos, M.I.

    2001-01-01

    Numerical simulations have been applied to study the argon plasma flow downstream of the induction plasma torch. It is shown that by means of the convergent-divergent nozzle adjustment and chamber pressure reduction, a supersonic plasma jet can be obtained. We investigate the supersonic and a more traditional subsonic plasma jets impinging onto a normal substrate. Comparing to the subsonic jet, the supersonic one is narrower and much faster. Near-substrate velocity and temperature boundary layers are thinner, so the heat flux near the stagnation point is higher in the supersonic jet. The supersonic plasma jet is characterized by the electron overpopulation and the domination of the recombination over the dissociation, resulting into the heating of the electron gas. Because of these processes, the supersonic induction plasma permits to separate spatially different functions (dissociation and ionization, transport and deposition) and to optimize each of them. The considered configuration can be advantageous in some industrial applications, such as plasma-assisted chemical vapor deposition of diamond and polymer-like films and in plasma spraying of nanoscaled powders

  12. Stellar Population Properties of Ultracompact Dwarfs in M87: A Mass–Metallicity Correlation Connecting Low-metallicity Globular Clusters and Compact Ellipticals

    Science.gov (United States)

    Zhang, Hong-Xin; Puzia, Thomas H.; Peng, Eric W.; Liu, Chengze; Côté, Patrick; Ferrarese, Laura; Duc, Pierre-Alain; Eigenthaler, Paul; Lim, Sungsoon; Lançon, Ariane; Muñoz, Roberto P.; Roediger, Joel; Sánchez-Janssen, Ruben; Taylor, Matthew A.; Yu, Jincheng

    2018-05-01

    We derive stellar population parameters for a representative sample of ultracompact dwarfs (UCDs) and a large sample of massive globular clusters (GCs) with stellar masses ≳ 106 M ⊙ in the central galaxy M87 of the Virgo galaxy cluster, based on model fitting to the Lick-index measurements from both the literature and new observations. After necessary spectral stacking of the relatively faint objects in our initial sample of 40 UCDs and 118 GCs, we obtain 30 sets of Lick-index measurements for UCDs and 80 for GCs. The M87 UCDs have ages ≳ 8 Gyr and [α/Fe] ≃ 0.4 dex, in agreement with previous studies based on smaller samples. The literature UCDs, located in lower-density environments than M87, extend to younger ages and smaller [α/Fe] (at given metallicities) than M87 UCDs, resembling the environmental dependence of the stellar nuclei of dwarf elliptical galaxies (dEs) in the Virgo cluster. The UCDs exhibit a positive mass–metallicity relation (MZR), which flattens and connects compact ellipticals at stellar masses ≳ 108 M ⊙. The Virgo dE nuclei largely follow the average MZR of UCDs, whereas most of the M87 GCs are offset toward higher metallicities for given stellar masses. The difference between the mass–metallicity distributions of UCDs and GCs may be qualitatively understood as a result of their different physical sizes at birth in a self-enrichment scenario or of galactic nuclear cluster star formation efficiency being relatively low in a tidal stripping scenario for UCD formation. The existing observations provide the necessary but not sufficient evidence for tidally stripped dE nuclei being the dominant contributors to the M87 UCDs.

  13. [Ti8Zr2O12(COO)16] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.

    Science.gov (United States)

    Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai

    2018-01-24

    Metal-organic frameworks (MOFs) based on Ti-oxo clusters (Ti-MOFs) represent a naturally self-assembled superlattice of TiO 2 nanoparticles separated by designable organic linkers as antenna chromophores, epitomizing a promising platform for solar energy conversion. However, despite the vast, diverse, and well-developed Ti-cluster chemistry, only a scarce number of Ti-MOFs have been documented. The synthetic conditions of most Ti-based clusters are incompatible with those required for MOF crystallization, which has severely limited the development of Ti-MOFs. This challenge has been met herein by the discovery of the [Ti 8 Zr 2 O 12 (COO) 16 ] cluster as a nearly ideal building unit for photoactive MOFs. A family of isoreticular photoactive MOFs were assembled, and their orbital alignments were fine-tuned by rational functionalization of organic linkers under computational guidance. These MOFs demonstrate high porosity, excellent chemical stability, tunable photoresponse, and good activity toward photocatalytic hydrogen evolution reactions. The discovery of the [Ti 8 Zr 2 O 12 (COO) 16 ] cluster and the facile construction of photoactive MOFs from this cluster shall pave the way for the development of future Ti-MOF-based photocatalysts.

  14. Visible tunable lighting system based on polymer composites embedding ZnO and metallic clusters: from colloids to thin films

    OpenAIRE

    Truong, Thai Giang; Dierre, Benjamin; Grasset, Fabien; Saito, Noriko; Saito, Norio; Nguyen, Thi Kim Ngan; Takahashi, Kohsei; Uchikoshi, Tetsuo; Amela-Cortes, Marian; Molard, Yann; Cordier, St?phane; Ohashi, Naoki

    2016-01-01

    Abstract The development of phosphor devices free of heavy metal or rare earth elements is an important issue for environmental reasons and energy efficiency. Different mixtures of ZnO nanocrystals with Cs2Mo6I8(OOC2F5)6 cluster compound (CMIF) dispersed into polyvinylpyrrolidone matrix have been prepared by very simple and low cost solution chemistry. The resulting solutions have been used to fabricate highly transparent and luminescent films by dip coating free of heavy metal or rare earth ...

  15. On the Chemical Abundances of Miras in Clusters: V1 in the Metal-rich Globular NGC 5927

    Science.gov (United States)

    D’Orazi, V.; Magurno, D.; Bono, G.; Matsunaga, N.; Braga, V. F.; Elgueta, S. S.; Fukue, K.; Hamano, S.; Inno, L.; Kobayashi, N.; Kondo, S.; Monelli, M.; Nonino, M.; Przybilla, N.; Sameshima, H.; Saviane, I.; Taniguchi, D.; Thevenin, F.; Urbaneja-Perez, M.; Watase, A.; Arai, A.; Bergemann, M.; Buonanno, R.; Dall’Ora, M.; Da Silva, R.; Fabrizio, M.; Ferraro, I.; Fiorentino, G.; Francois, P.; Gilmozzi, R.; Iannicola, G.; Ikeda, Y.; Jian, M.; Kawakita, H.; Kudritzki, R. P.; Lemasle, B.; Marengo, M.; Marinoni, S.; Martínez-Vázquez, C. E.; Minniti, D.; Neeley, J.; Otsubo, S.; Prieto, J. L.; Proxauf, B.; Romaniello, M.; Sanna, N.; Sneden, C.; Takenaka, K.; Tsujimoto, T.; Valenti, E.; Yasui, C.; Yoshikawa, T.; Zoccali, M.

    2018-03-01

    We present the first spectroscopic abundance determination of iron, α-elements (Si, Ca, and Ti), and sodium for the Mira variable V1 in the metal-rich globular cluster NGC 5927. We use high-resolution (R ∼ 28,000), high signal-to-noise ratio (∼200) spectra collected with WINERED, a near-infrared (NIR) spectrograph covering simultaneously the wavelength range 0.91–1.35 μm. The effective temperature and the surface gravity at the pulsation phase of the spectroscopic observation were estimated using both optical (V) and NIR time-series photometric data. We found that the Mira is metal-rich ([Fe/H] = ‑0.55 ± 0.15) and moderately α-enhanced ([α/Fe] = 0.15 ± 0.01, σ = 0.2). These values agree quite well with the mean cluster abundances based on high-resolution optical spectra of several cluster red giants available in the literature ([Fe/H] = ‑ 0.47 ± 0.06, [α/Fe] = + 0.24 ± 0.05). We also found a Na abundance of +0.35 ± 0.20 that is higher than the mean cluster abundance based on optical spectra (+0.18 ± 0.13). However, the lack of similar spectra for cluster red giants and that of corrections for departures from local thermodynamical equilibrium prevents us from establishing whether the difference is intrinsic or connected with multiple populations. These findings indicate a strong similarity between optical and NIR metallicity scales in spite of the difference in the experimental equipment, data analysis, and in the adopted spectroscopic diagnostics. Based on spectra collected with the WINERED spectrograph available as a visitor instrument at the ESO New Technology Telescope (NTT), La Silla, Chile (ESO Proposal: 098.D-0878(A), PI: G. Bono).

  16. Effect of clustering on the mechanical properties of SiC particulate-reinforced aluminum alloy 2024 metal matrix composites

    International Nuclear Information System (INIS)

    Hong, Soon-Jik; Kim, Hong-Moule; Huh, Dae; Suryanarayana, C.; Chun, Byong Sun

    2003-01-01

    Al 2024-SiC metal matrix composite (MMC) powders produced by centrifugal atomization were hot extruded to investigate the effect of clustering on their mechanical properties. Fracture toughness and tension tests were conducted on specimens reinforced with different volume fractions of SiC. A model was proposed to suggest that the strength of the MMCs could be estimated from the load transfer model approach that takes into consideration the extent of clustering. This model has been successful in predicting the experimentally observed strength and fracture toughness values of the Al 2024-SiC MMCs. On the basis of experimental observations, it is suggested that the strength of particulate-reinforced MMCs may be calculated from the relation: σ y =σ m V m +σ r (V r -V c )-σ r V c , where σ and V represent the yield strength and volume fraction, respectively, and the subscripts m, r, and c represent the matrix, reinforcement, and clusters, respectively

  17. DERIVING METALLICITIES FROM THE INTEGRATED SPECTRA OF EXTRAGALACTIC GLOBULAR CLUSTERS USING THE NEAR-INFRARED CALCIUM TRIPLET

    International Nuclear Information System (INIS)

    Foster, Caroline; Forbes, Duncan A.; Proctor, Robert N.; Spitler, Lee R.; Strader, Jay; Brodie, Jean P.

    2010-01-01

    The Ca II triplet (CaT) feature in the near-infrared has been employed as a metallicity indicator for individual stars as well as integrated light of Galactic globular clusters (GCs) and galaxies with varying degrees of success, and sometimes puzzling results. Using the DEIMOS multi-object spectrograph on Keck we obtain a sample of 144 integrated light spectra of GCs around the brightest group galaxy NGC 1407 to test whether the CaT index can be used as a metallicity indicator for extragalactic GCs. Different sets of single stellar population models make different predictions for the behavior of the CaT as a function of metallicity. In this work, the metallicities of the GCs around NGC 1407 are obtained from CaT index values using an empirical conversion. The measured CaT/metallicity distributions show unexpected features, the most remarkable being that the brightest red and blue GCs have similar CaT values despite their large difference in mean color. Suggested explanations for this behavior in the NGC 1407 GC system are (1) the CaT may be affected by a population of hot blue stars, (2) the CaT may saturate earlier than predicted by the models, and/or (3) color may not trace metallicity linearly. Until these possibilities are understood, the use of the CaT as a metallicity indicator for the integrated spectra of extragalactic GCs will remain problematic.

  18. Mixed-metal cluster chemistry. 28. Core enlargement of tungsten-iridium clusters with alkynyl, ethyndiyl, and butadiyndiyl reagents.

    Science.gov (United States)

    Dalton, Gulliver T; Viau, Lydie; Waterman, Susan M; Humphrey, Mark G; Bruce, Michael I; Low, Paul J; Roberts, Rachel L; Willis, Anthony C; Koutsantonis, George A; Skelton, Brian W; White, Allan H

    2005-05-02

    Reaction of [WIr3(mu-CO)3(CO)8(eta-C5Me5)] (1c) with [W(C[triple bond]CPh)(CO)3(eta-C5H5)] afforded the edge-bridged tetrahedral cluster [W2Ir3(mu4-eta2-C2Ph)(mu-CO)(CO)9(eta-C5H5)(eta-C5Me5)] (3) and the edge-bridged trigonal-bipyramidal cluster [W3Ir3(mu4-eta2-C2Ph)(mu-eta2-C=CHPh)(Cl)(CO)8(eta-C5Me5)(eta-C5H5)2] (4) in poor to fair yield. Cluster 3 forms by insertion of [W(C[triple bond]CPh)(CO)3(eta-C5H5)] into Ir-Ir and W-Ir bonds, accompanied by a change in coordination mode from a terminally bonded alkynyl to a mu4-eta2 alkynyl ligand. Cluster 4 contains an alkynyl ligand interacting with two iridium atoms and two tungsten atoms in a mu4-eta2 fashion, as well as a vinylidene ligand bridging a W-W bond. Reaction of [WIr3(CO)11(eta-C5H5)] (1a) or 1c with [(eta-C5H5)(CO)2 Ru(C[triple bond]C)Ru(CO)2(eta-C5H5)] afforded [Ru2WIr3(mu5-eta2-C2)(mu-CO)3(CO)7(eta-C5H5)2(eta-C5R5)] [R = H (5a), Me (5c)] in low yield, a structural study of 5a revealing a WIr3 butterfly core capped and spiked by Ru atoms; the diruthenium ethyndiyl precursor has undergone Ru-C scission, with insertion of the C2 unit into a W-Ir bond of the cluster precursor. Reaction of [W2Ir2(CO)10(eta-C5H5)2] with the diruthenium ethyndiyl reagent gave [RuW2Ir2{mu4-eta2-(C2C[triple bond]C)Ru(CO)2(eta-C5H5)}(mu-CO)2(CO)6(eta-C5H5)3] (6) in low yield, a structural study of 6 revealing a butterfly W2Ir2 unit capped by a Ru(eta-C5H5) group resulting from Ru-C scission; the terminal C2 of a new ruthenium-bound butadiyndiyl ligand has been inserted into the W-Ir bond. Reaction between 1a, [WIr3(CO)11(eta-C5H4Me)] (1b), or 1c and [(eta-C5H5)(CO)3W(C[triple bond]CC[triple bond]C)W(CO)3(eta-C5H5)] afforded [W2Ir3{mu4-eta2-(C2C[triple bond]C)W(CO)3(eta-C5H5)}(mu-CO)2(CO)2(eta-C5H5)(eta-C5R5)] [R = H (7a), Me (7c); R5 = H4Me (7b)] in good yield, a structural study of 7c revealing it to be a metallaethynyl analogue of 3.

  19. Store Separations From a Supersonic Cone

    National Research Council Canada - National Science Library

    Simko, Richard J

    2006-01-01

    ... analyses of supersonic store separations. Also included in this research is a study of supersonic base pressure profiles, near-wake velocity profiles, wind tunnel shock interactions and force/moment studies on a conical store and parent vehicle...

  20. Mass-spectrometric study of ion clustering in alkali-metal hydroxide vapor: cluster-ion energy and structural characteristics

    International Nuclear Information System (INIS)

    Kudin, L.S.; Butman, M.F.; Krasnov, K.S.

    1986-01-01

    Various positive and negative ions have been recorded in the equilibrium vapors from alkali-metal hydroxides: M/sup +/-/, OH - , O - , MO - , MOH - , and X/sup +/-/ (MOH)/sub n/, where X = M/sup +/-/, OH - , n = 1-6. The equilibrium constants have been measured for X/sup +/-/(MOH)/sub n/ = x/sup +/-/ + nMOH(k), n = 1-3, and the enthalpies of reaction have been determined, from which the enthalpies of formation and dissociation energies of X/sup +/-/ (MOH)/sub n/ have been calculated. The relative stabilities of the ions in the series from Na to Cs are examined

  1. SMC west halo: a slice of the galaxy that is being tidally stripped?. Star clusters trace age and metallicity gradients

    Science.gov (United States)

    Dias, B.; Kerber, L.; Barbuy, B.; Bica, E.; Ortolani, S.

    2016-06-01

    Context. The evolution and structure of the Magellanic Clouds is currently under debate. The classical scenario in which both the Large and Small Magellanic Clouds (LMC, SMC) are orbiting the Milky Way has been challenged by an alternative in which the LMC and SMC are in their first close passage to our Galaxy. The clouds are close enough to us to allow spatially resolved observation of their stars, and detailed studies of stellar populations in the galaxies are expected to be able to constrain the proposed scenarios. In particular, the west halo (WH) of the SMC was recently characterized with radial trends in age and metallicity that indicate tidal disruption. Aims: We intend to increase the sample of star clusters in the west halo of the SMC with homogeneous age, metallicity, and distance derivations to allow a better determination of age and metallicity gradients in this region. Positions are compared with the orbital plane of the SMC from models. Methods: Comparisons of observed and synthetic V(B-V) colour-magnitude diagrams were used to derive age, metallicity, distance, and reddening for star clusters in the SMC west halo. Observations were carried out using the 4.1 m SOAR telescope. Photometric completeness was determined through artificial star tests, and the members were selected by statistical comparison with a control field. Results: We derived an age of 1.23 ± 0.07 Gyr and [Fe/H] = -0.87 ± 0.07 for the reference cluster NGC 152, compatible with literature parameters. Age and metallicity gradients are confirmed in the WH: 2.6 ± 0.6 Gyr/° and -0.19 ± 0.09 dex/°, respectively. The age-metallicity relation for the WH has a low dispersion in metallicity and is compatible with a burst model of chemical enrichment. All WH clusters seem to follow the same stellar distribution predicted by dynamical models, with the exception of AM-3, which should belong to the counter-bridge. Brück 6 is the youngest cluster in our sample. It is only 130 ± 40 Myr old and

  2. Structural, electronic, and magnetic properties of 3D metal trioxide and tetraoxide superhalogen cluster-doped monolayer BN

    International Nuclear Information System (INIS)

    Meng, Jingjing; Li, Dan; Niu, Yuan; Zhao, Hongmin; Liang, Chunjun; He, Zhiqun

    2016-01-01

    The structural, electronic, and magnetic properties of monolayer BN doped with 3D metal trioxide and tetraoxide superhalogen clusters are investigated using first-principle calculations. TMO_3_(_4_)-doped monolayer BN exhibits a low negative formation energy, whereas TM atoms embedded in monolayer BN show a high positive formation energy. TMO_3_(_4_) clusters are embedded more easily in monolayer BN than TM atoms. Compared with TMO_3-doped structures, TMO_4-doped structures have a higher structural stability because of their higher binding energies. Given their low negative formation energies, TMO_4-doped structures are more favored for specific applications than TMO_3-doped structures and TM atom-doped structures. Large magnetic moments per supercell and significant ferromagnetic couplings between a TM atom and neighboring B and N atoms on the BN layer were observed in all TMO_4-doped structures, except for TiO_4-doped structures. - Highlights: • TMO_3_(_4_) superhalogen clusters incorporated into monolayer BN were investigated. • TMO_3_(_4_) clusters are embedded more easily in monolayer BN than TM atoms. • TMO_4-doped structures are more favored for specific applications. • Large magnetic moments were observed in TMO_4-doped structures. • The band gap was sensitively dependent on the doped clusters.

  3. Voltage-dependent cluster expansion for electrified solid-liquid interfaces: Application to the electrochemical deposition of transition metals

    Science.gov (United States)

    Weitzner, Stephen E.; Dabo, Ismaila

    2017-11-01

    The detailed atomistic modeling of electrochemically deposited metal monolayers is challenging due to the complex structure of the metal-solution interface and the critical effects of surface electrification during electrode polarization. Accurate models of interfacial electrochemical equilibria are further challenged by the need to include entropic effects to obtain accurate surface chemical potentials. We present an embedded quantum-continuum model of the interfacial environment that addresses each of these challenges and study the underpotential deposition of silver on the gold (100) surface. We leverage these results to parametrize a cluster expansion of the electrified interface and show through grand canonical Monte Carlo calculations the crucial need to account for variations in the interfacial dipole when modeling electrodeposited metals under finite-temperature electrochemical conditions.

  4. Supersonic propulsion technology. [variable cycle engines

    Science.gov (United States)

    Powers, A. G.; Coltrin, R. E.; Stitt, L. E.; Weber, R. J.; Whitlow, J. B., Jr.

    1979-01-01

    Propulsion concepts for commercial supersonic transports are discussed. It is concluded that variable cycle engines, together with advanced supersonic inlets and low noise coannular nozzles, provide good operating performance for both supersonic and subsonic flight. In addition, they are reasonably quiet during takeoff and landing and have acceptable exhaust emissions.

  5. Metals on graphene and carbon nanotube surfaces: From mobile atoms to atomtronics to bulk metals to clusters and catalysts

    KAUST Repository

    Sarkar, Santanu C.; Moser, Matthew L.; Tian, Xiaojuan; Zhang, Xixiang; Al-Hadeethi, Yas Fadel; Haddon, Robert C.

    2014-01-01

    , and the next generation energy devices. We touch on chemical vapor deposition (CVD) graphene grown on metals, the reactivity of its surface, and its use as a template for asymmetric graphene functionalization chemistry (ultrathin Janus discs). We highlight some

  6. Condensation and dissociation rates for gas phase metal clusters from molecular dynamics trajectory calculations

    Science.gov (United States)

    Yang, Huan; Goudeli, Eirini; Hogan, Christopher J.

    2018-04-01

    In gas phase synthesis systems, clusters form and grow via condensation, in which a monomer binds to an existing cluster. While a hard-sphere equation is frequently used to predict the condensation rate coefficient, this equation neglects the influences of potential interactions and cluster internal energy on the condensation process. Here, we present a collision rate theory-molecular dynamics simulation approach to calculate condensation probabilities and condensation rate coefficients. We use this approach to examine atomic condensation onto 6-56-atom Au and Mg clusters. The probability of condensation depends upon the initial relative velocity (v) between atom and cluster and the initial impact parameter (b). In all cases, there is a well-defined region of b-v space where condensation is highly probable, and outside of which the condensation probability drops to zero. For Au clusters with more than 10 atoms, we find that at gas temperatures in the 300-1200 K range, the condensation rate coefficient exceeds the hard-sphere rate coefficient by a factor of 1.5-2.0. Conversely, for Au clusters with 10 or fewer atoms and for 14- and 28-atom Mg clusters, as cluster equilibration temperature increases, the condensation rate coefficient drops to values below the hard-sphere rate coefficient. Calculations also yield the self-dissociation rate coefficient, which is found to vary considerably with gas temperature. Finally, calculations results reveal that grazing (high b) atom-cluster collisions at elevated velocity (>1000 m s-1) can result in the colliding atom rebounding (bounce) from the cluster surface or binding while another atom dissociates (replacement). The presented method can be applied in developing rate equations to predict material formation and growth rates in vapor phase systems.

  7. [Electronic and structural properties of individual nanometer-size supported metallic clusters

    International Nuclear Information System (INIS)

    Reifenberger, R.

    1993-01-01

    This report summarizes the work performed under contract DOE-FCO2-84ER45162. During the past ten years, our study of electron emission from laser-illuminated field emission tips has taken on a broader scope by addressing problems of direct interest to those concerned with the unique physical and chemical properties of nanometer-size clusters. The work performed has demonstrated that much needed data can be obtained on individual nanometer-size clusters supported on a wide-variety of different substrates. The work was performed in collaboration with R.P. Andres in the School of Chemical Engineering at Purdue University. The Multiple Expansion Cluster Source developed by Andres and his students was essential for producing the nanometer-size clusters studied. The following report features a discussion of these results. This report provides a motivation for studying the properties of nanometer-size clusters and summarizes the results obtained

  8. [Electronic and structural properties of individual nanometer-size supported metallic clusters]. Final performance report

    Energy Technology Data Exchange (ETDEWEB)

    Reifenberger, R.

    1993-09-01

    This report summarizes the work performed under contract DOE-FCO2-84ER45162. During the past ten years, our study of electron emission from laser-illuminated field emission tips has taken on a broader scope by addressing problems of direct interest to those concerned with the unique physical and chemical properties of nanometer-size clusters. The work performed has demonstrated that much needed data can be obtained on individual nanometer-size clusters supported on a wide-variety of different substrates. The work was performed in collaboration with R.P. Andres in the School of Chemical Engineering at Purdue University. The Multiple Expansion Cluster Source developed by Andres and his students was essential for producing the nanometer-size clusters studied. The following report features a discussion of these results. This report provides a motivation for studying the properties of nanometer-size clusters and summarizes the results obtained.

  9. Structure investigation of metal ions clustering in dehydrated gel using x-ray anomalous dispersion effect

    CERN Document Server

    Soejima, Y; Sugiyama, M; Annaka, M; Nakamura, A; Hiramatsu, N; Hara, K

    2003-01-01

    The structure of copper ion clusters in dehydrated N-isopropylacrylamide/sodium acrylate (NIPA/SA) gel has been studied by means of small angle X-ray scattering (SAXS) method. In order to distinguish the intensity scattered by Cu ions, the X-ray anomalous dispersion effect around the Cu K absorption edge has been coupled with SAXS. It is found that the dispersion effect dependent on the incident X-ray energy is remarkable only at the momentum transfer q = 0.031 A sup - sup 1 , where a SAXS peak is observed. The results indicate that copper ions form clusters in the dehydrated gel, and that the mean size of clusters is the same as that of SA clusters produced by microphase separation. It is therefore naturally presumed that copper ions are adsorbed into the SA molecules. On the basis of the presumption, a mechanism is proposed for microphase-separation and clustering of Cu ions.

  10. Insights into magnetic interactions in a monodisperse Gd{sub 12}Fe{sub 14} metal cluster

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Xiu-Ying; Zhang, Hui; Liu, Pengxin; Du, Ming-Hao; Han, Ying-Zi; Wei, Rong-Jia; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun [Collaborative Innovation Center of Chemistry for Energy Materials, State Key Lab. of Physical Chemistry of Solid Surface and Dept. of Chemistry, College of Chemistry and Chemical Engineering, Xiamen Univ. (China); Wang, Zhenxing; Ouyang, Zhong-Wen [Wuhan National High Magnetic Field Center and School of Physics, Huazhong University of Science and Technology, Wuhan (China); Zhuang, Gui-Lin [College of Chemcal Engineering, Zhejiang University of Technology, Hangzhou (China)

    2017-09-11

    The largest Ln-Fe metal cluster [Gd{sub 12}Fe{sub 14}(μ{sub 3}-OH){sub 12}(μ{sub 4}-OH){sub 6}(μ{sub 4}-O){sub 12}(TEOA){sub 6}(CH{sub 3}COO){sub 16}(H{sub 2} O){sub 8}].(CH{sub 3}COO){sub 2}(CH{sub 3}CN){sub 2}.(H{sub 2}O){sub 20} (1) and the core-shell monodisperse metal cluster of 1 a rate at SiO{sub 2} (1 a=[Gd{sub 12}Fe{sub 14}(μ{sub 3}-OH){sub 12}(μ{sub 4}-OH){sub 6}(μ{sub 4}-O){sub 12}(TEOA){sub 6}(CH{sub 3}COO){sub 16} (H{sub 2}O){sub 8}]{sup 2+}) were prepared. Experimental and theoretical studies on the magnetic properties of 1 and 1 a rate at SiO{sub 2} reveal that encapsulation of one cluster into one silica nanosphere not only effectively decreases intermolecular magnetic interactions but also significantly increases the zero-field splitting effect of the outer layer Fe{sup 3+} ions. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Irradiation characteristics of metal-cluster-complex ions containing diverse multi-elements with large mass differences

    International Nuclear Information System (INIS)

    Fujiwara, Yukio; Kondou, Kouji; Teranishi, Yoshikazu; Nonaka, Hidehiko; Saito, Naoaki; Fujimoto, Toshiyuki; Kurokawa, Akira; Ichimura, Shingo; Tomita, Mitsuhiro

    2007-01-01

    Tetrairidium dodecacarbonyl, Ir 4 (CO) 12 , is a metal cluster complex which has a molecular weight of 1104.9. Using a metal-cluster-complex ion source, the interaction between Ir 4 (CO) n + ions (n=0-12) and silicon substrates was studied at a beam energy ranging from 2keV to 10keV at normal incidence. By adjusting Wien-filter voltage, the influence of CO ligands was investigated. Experimental results showed that sputtering yield of silicon bombarded with Ir 4 (CO) n + ions at 10keV decreased with the number of CO ligands. In the case of 2keV, deposition tended to be suppressed by removing CO ligands from the impinging cluster ions. The influence of CO ligands was explained by considering changes in surface properties caused by the irradiation of Ir 4 (CO) n + ions. It was also found that the bombardment with Ir 4 (CO) 7 + ions at 2.5keV caused deposition on silicon target

  12. Metal Substitution in Keggin-Type Tridecameric Aluminum-Oxo-Hydroxy Clusters.

    Science.gov (United States)

    Parker, Wallace O'Neil; Millini, Roberto; Kiricsi, Imre

    1997-02-12

    The species resulting from a typical preparation for metal-substituted hybrids of the Keggin tridecamer, Al 13 or [AlO 4 Al 12 (OH) 24 (OH 2 ) 12 ] 7+ , were examined by performing 27 Al NMR on the solutions during aging and by studying the precipitated sulfate salts via solid state 27 Al NMR and powder X-ray diffraction (XRD). Aqueous mixtures (0.25 mol L -1 ) of AlCl 3 and another metal ion (M), in a 12:1 mole ratio (Al:M), where M = Fe 3+ , Zn 2+ , Ga 3+ , In 3+ , Sn 2+ , La 3+ , and Bi 3+ , were subjected to forced hydrolysis by addition of NaOH (1.0 mol L -1 ) until OH/(Al + M) = 2.25, and the kinetics of Al 13 formation and disappearance with aging at 80 °C was monitored by 27 Al NMR spectroscopy. Al 13 units polymerize on aging with an apparent rate constant (k) of 4.8(8) × 10 -2 h -1 to form a species referred to as AlP 2 . Only the solutions containing Ga 3+ and Sn 2+ exhibited faster Al 13 conversion rates. GaAl 12 forms quickly at 80 °C (k = 0.54 h -1 ) and is more stable than AlP 2 . Sn 2+ apparently promotes AlP 2 formation (k = 0.38 h -1 ). XRD and solid state NMR reveal that only the Ga hybrid can be prepared by this method. No hybrid formation was evidenced using M = Mg 2+ , Fe 3+ , Co 2+ , Ni 2+ , Cu 2+ , Zn 2+ , In 3+ , La 3+ , or Ce 3+ at 25 °C or M = Co 2+ or La 3+ under reflux conditions. Isostructural (cubic symmetry) single crystals were obtained for the sulfate salts of Al 13 and GaAl 12 . Single-crystal XRD analysis of these two polyoxocations provides the first rigorous comparison between them and shows they have very similar structures. The main crystallographic data for Al 13 and GaAl 12 are as follows:  Na[AlO 4 Al 12 (OH) 24 (H 2 O) 12 ](SO 4 ) 4 ·10H 2 O, cubic, F4̄3m, a = 17.856(2) Å, Z = 4; Na[GaO 4 Al 12 (OH) 24 (H 2 O) 12 ](SO 4 ) 4 ·10H 2 O, cubic, F4̄3m, a = 17.869(3) Å, Z = 4. Thus, the greater thermal stability of GaAl 12 cannot be rationalized in terms of the overall geometric considerations, as suggested by

  13. Oxidation of nanostructured Ti films produced by low energy cluster beam deposition: An X-ray Photoelectron Spectroscopy characterization

    International Nuclear Information System (INIS)

    Simone, Monica de; Snidero, Elena; Coreno, Marcello; Bongiorno, Gero; Giorgetti, Luca; Amati, Matteo; Cepek, Cinzia

    2012-01-01

    We used in-situ X-ray Photoelectron Spectroscopy (XPS) to study the oxidation process of a cluster-assembled metallic titanium film exposed to molecular oxygen at room temperature. The nanostructured film has been grown on a Si(111) substrate, in ultra high vacuum conditions, by coupling a supersonic cluster beam deposition system with an XPS experimental chamber. Our results show that upon in-situ oxygen exposure Ti 3+ is the first oxidation state observed, followed by Ti 4+ , whereas Ti 2+ is practically absent during the whole process. Our results compare well with the existing literature on Ti films produced using other techniques.

  14. Gas chromatography-mass spectrometry with supersonic molecular beams.

    Science.gov (United States)

    Amirav, Aviv; Gordin, Alexander; Poliak, Marina; Fialkov, Alexander B

    2008-02-01

    Gas chromatography-mass spectrometry (GC-MS) with supersonic molecular beams (SMBs) (also named Supersonic GC-MS) is based on GC and MS interface with SMBs and on the electron ionization (EI) of vibrationally cold analytes in the SMBs (cold EI) in a fly-through ion source. This ion source is inherently inert and further characterized by fast response and vacuum background filtration capability. The same ion source offers three modes of ionization including cold EI, classical EI and cluster chemical ionization (CI). Cold EI, as a main mode, provides enhanced molecular ions combined with an effective library sample identification, which is supplemented and complemented by a powerful isotope abundance analysis method and software. The range of low-volatility and thermally labile compounds amenable for analysis is significantly increased owing to the use of the contact-free, fly-through ion source and the ability to lower sample elution temperatures through the use of high column carrier gas flow rates. Effective, fast GC-MS is enabled particularly owing to the possible use of high column flow rates and improved system selectivity in view of the enhancement of the molecular ion. This fast GC-MS with SMB can be further improved via the added selectivity of MS-MS, which by itself benefits from the enhancement of the molecular ion, the most suitable parent ion for MS-MS. Supersonic GC-MS is characterized by low limits of detection (LOD), and its sensitivity is superior to that of standard GC-MS, particularly for samples that are hard for analysis. The GC separation of the Supersonic GC-MS can be improved with pulsed flow modulation (PFM) GC x GC-MS. Electron ionization LC-MS with SMB can also be combined with the Supersonic GC-MS, with fast and easy switching between these two modes of operation. (c) 2008 John Wiley & Sons, Ltd.

  15. Quantum molecular dynamics: Numerical methods and physical study of the structure, thermodynamics, stability and fragmentation of sodium metallic clusters

    International Nuclear Information System (INIS)

    Blaise, Philippe

    1998-01-01

    The aim of this thesis is to study metallic sodium clusters by numerical simulation. We have developed two ab initio molecular dynamics programs within the formalism of density functional theory. The first is based on the semi-classical extended Thomas-Fermi approach. We use a real-space grid and a Car-Parrinello-like scheme. The computational cost is O(N), and we have built a pseudopotential that speeds up the calculations. By neglecting quantum shell effects, we are able to study a very large set of clusters. We show that sodium cluster energies fit well a liquid drop formula, by adjusting a few parameters. We have investigated breathing modes, surface oscillations and the net charge density. We have shown that the surface energy varies strongly with temperature, and that clusters have a lower melting point than bulk material. We have calculated fission barriers by a constraint method. The second program is based on the quantum Kohn-Sham approach. We use a real-space grid, and combine a generalized Broyden scheme for assuring self-consistency with an iterative Davidson-Lanczos algorithm for solving the Eigen-problem. The cost of the method is much higher. First of all, we have calculated some stable structures for small clusters and their energetics. We obtained very good agreement with previous works. Then, we have investigated highly charged cluster dynamics. We have identified a chaotic fission process. For high fissility systems, we observe a multi-fragmentation dynamics and we find preferential emission of monomers on a characteristic time scale less than a pico-second. This has been simulated for the first time, with the help of our adaptive grid method which follows each fragment as they move apart during the fragmentation. (author)

  16. Clustering of nucleosides in the presence of alkali metals: Biologically relevant quartets of guanosine, deoxyguanosine and uridine observed by ESI-MS/MS.

    Science.gov (United States)

    Aggerholm, Tenna; Nanita, Sergio C; Koch, Kim J; Cooks, R Graham

    2003-01-01

    Electrospray ionization (ESI) mass spectra of nucleosides, recorded in the presence of alkali metals, display alkali metal ion-bound quartets and other clusters that may have implications for understanding non-covalent interactions in DNA and RNA. The tetramers of guanosine and deoxyguanosine and also their metaclusters (clusters of clusters), cationized by alkali metals, were observed as unusually abundant magic number clusters. The observation of these species in the gas phase parallels previous condensed-phase studies, which show that guanine derivatives can form quartets and metaclusters of quartets in solution in the presence of metal cations. This parallel behavior and also internal evidence suggest that bonding in the guanosine tetramers involves the bases rather than the sugar units. The nucleobases thymine and uracil are known to form magic number pentameric adducts with K+, Cs+ and NH4+ in the gas phase. In sharp contrast, we now show that the nucleosides uridine and deoxythymidine do not form the pentameric clusters characteristic of the corresponding bases. More subtle effects of the sugars are evident in the fact that adenosine and cytidine form numerous higher order clusters with alkali metals, whereas deoxyadenosine and deoxycytidine show no clustering. It is suggested that hydrogen bonding between the bases in the tetramers of dG and rG are the dominant interactions in the clusters, hence changing the ribose group to deoxyribose (and vice versa) generally has little effect. However, the additional hydroxyl group of RNA nucleosides enhances the non-selective formation of higher-order aggregates for adenosine and cytidine and results in the lack of highly stable magic number clusters. Some clusters are the result of aggregation in the course of ionization (ESI) whereas others appear to be intrinsic to the solution being examined. Copyright 2003 John Wiley & Sons, Ltd.

  17. The Metal-poor non-Sagittarius (?) Globular Cluster NGC 5053: Orbit and Mg, Al, and Si Abundances

    Science.gov (United States)

    Tang, Baitian; Fernández-Trincado, J. G.; Geisler, Doug; Zamora, Olga; Mészáros, Szabolcs; Masseron, Thomas; Cohen, Roger E.; García-Hernández, D. A.; Dell’Agli, Flavia; Beers, Timothy C.; Schiavon, Ricardo P.; Sohn, Sangmo Tony; Hasselquist, Sten; Robin, Annie C.; Shetrone, Matthew; Majewski, Steven R.; Villanova, Sandro; Schiappacasse Ulloa, Jose; Lane, Richard R.; Minnti, Dante; Roman-Lopes, Alexandre; Almeida, Andres; Moreno, E.

    2018-03-01

    Metal-poor globular clusters (GCs) exhibit intriguing Al–Mg anti-correlations and possible Si–Al correlations, which are important clues to decipher the multiple-population phenomenon. NGC 5053 is one of the most metal-poor GCs in the nearby universe and has been suggested to be associated with the Sagittarius (Sgr) dwarf galaxy, due to its similarity in location and radial velocity with one of the Sgr arms. In this work, we simulate the orbit of NGC 5053, and argue against a physical connection between Sgr and NGC 5053. On the other hand, the Mg, Al, and Si spectral lines, which are difficult to detect in the optical spectra of NGC 5053 stars, have been detected in the near-infrared APOGEE spectra. We use three different sets of stellar parameters and codes to derive the Mg, Al, and Si abundances. Regardless of which method is adopted, we see a large Al variation, and a substantial Si spread. Along with NGC 5053, metal-poor GCs exhibit different Mg, Al, and Si variations. Moreover, NGC 5053 has the lowest cluster mass among the GCs that have been identified to exhibit an observable Si spread until now.

  18. Gas-generated thermal oxidation of a coordination cluster for an anion-doped mesoporous metal oxide.

    Science.gov (United States)

    Hirai, Kenji; Isobe, Shigehito; Sada, Kazuki

    2015-12-18

    Central in material design of metal oxides is the increase of surface area and control of intrinsic electronic and optical properties, because of potential applications for energy storage, photocatalysis and photovoltaics. Here, we disclose a facile method, inspired by geochemical process, which gives rise to mesoporous anion-doped metal oxides. As a model system, we demonstrate that simple calcination of a multinuclear coordination cluster results in synchronic chemical reactions: thermal oxidation of Ti8O10(4-aminobenzoate)12 and generation of gases including amino-group fragments. The gas generation during the thermal oxidation of Ti8O10(4-aminobenzoate)12 creates mesoporosity in TiO2. Concurrently, nitrogen atoms contained in the gases are doped into TiO2, thus leading to the formation of mesoporous N-doped TiO2. The mesoporous N-doped TiO2 can be easily synthesized by calcination of the multinuclear coordination cluster, but shows better photocatalytic activity than the one prepared by a conventional sol-gel method. Owing to an intrinsic designability of coordination compounds, this facile synthetic will be applicable to a wide range of metal oxides and anion dopants.

  19. Phase transition temperatures of 405-725 K in superfluid ultra-dense hydrogen clusters on metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Holmlid, Leif, E-mail: holmlid@chem.gu.se [Atmospheric Science, Department of Chemistry, University of Gothenburg, SE-412 96 Göteborg (Sweden); Kotzias, Bernhard [Airbus DS, Department Mechanical Engineering, D28199 Bremen (Germany)

    2016-04-15

    Ultra-dense hydrogen H(0) with its typical H-H bond distance of 2.3 pm is superfluid at room temperature as expected for quantum fluids. It also shows a Meissner effect at room temperature, which indicates that a transition point to a non-superfluid state should exist above room temperature. This transition point is given by a disappearance of the superfluid long-chain clusters H{sub 2N}(0). This transition point is now measured for several metal carrier surfaces at 405 - 725 K, using both ultra-dense protium p(0) and deuterium D(0). Clusters of ordinary Rydberg matter H(l) as well as small symmetric clusters H{sub 4}(0) and H{sub 3}(0) (which do not give a superfluid or superconductive phase) all still exist on the surface at high temperature. This shows directly that desorption or diffusion processes do not remove the long superfluid H{sub 2N}(0) clusters. The two ultra-dense forms p(0) and D(0) have different transition temperatures under otherwise identical conditions. The transition point for p(0) is higher in temperature, which is unexpected.

  20. Phase transition temperatures of 405-725 K in superfluid ultra-dense hydrogen clusters on metal surfaces

    International Nuclear Information System (INIS)

    Holmlid, Leif; Kotzias, Bernhard

    2016-01-01

    Ultra-dense hydrogen H(0) with its typical H-H bond distance of 2.3 pm is superfluid at room temperature as expected for quantum fluids. It also shows a Meissner effect at room temperature, which indicates that a transition point to a non-superfluid state should exist above room temperature. This transition point is given by a disappearance of the superfluid long-chain clusters H_2_N(0). This transition point is now measured for several metal carrier surfaces at 405 - 725 K, using both ultra-dense protium p(0) and deuterium D(0). Clusters of ordinary Rydberg matter H(l) as well as small symmetric clusters H_4(0) and H_3(0) (which do not give a superfluid or superconductive phase) all still exist on the surface at high temperature. This shows directly that desorption or diffusion processes do not remove the long superfluid H_2_N(0) clusters. The two ultra-dense forms p(0) and D(0) have different transition temperatures under otherwise identical conditions. The transition point for p(0) is higher in temperature, which is unexpected.

  1. Coulomb frustration of the multiphoton ionization of metallic clusters under intense EUV FEL evidenced by ion spectrometry

    International Nuclear Information System (INIS)

    Mazza, T; Devetta, M; Milani, P; Motomura, K; Liu, X-J; Fukuzawa, H; Yamada, A; Nagaya, K; Iwayama, H; Sugishima, A; Mizoguchi, Y; Saito, N; Coreno, M; Nagasono, M; Tono, K; Togashi, T; Kimura, H; Okunishi, M; Fennel, Th; Senba, Y

    2015-01-01

    Free electron laser light sources delivering high intensity pulses of short wavelength radiation are opening novel possibilities for the investigation of matter at the nanoscale and for the discovery and understanding of new physical processes occurring at the exotic transient states they make accessible. Strong ionization of atomic constituents of a nano-sized sample is a representative example of such processes and the understanding of ionization dynamics is crucial for a realistic description of the experiments. We report here on multiple ionization experiments on free clusters of titanium, a high cohesive energy metal. The time of flight ion spectra reveal a saturation of the cluster ionization at ∼10 16 photons per pulse per cm 2 . Our results also show a clear lack of any explosion process, opposite to what is observed for a rare-gas cluster under similar conditions. A simple and generalized multi-step ionization model including Coulomb frustration of the photoemission process effectively reproduces with a good agreement the main features of the experimental observation and points to an interpretation of the data involving a substantial energy deposition into the cluster through electronic system heating upon scattering events within photoemission. (paper)

  2. Quantum size correction to the work function and the centroid of excess charge in positively ionized simple metal clusters

    Directory of Open Access Journals (Sweden)

    M. Payami

    2003-12-01

    Full Text Available  In this work, we have shown the important role of the finite-size correction to the work function in predicting the correct position of the centroid of excess charge in positively charged simple metal clusters with different values . For this purpose, firstly we have calculated the self-consistent Kohn-Sham energies of neutral and singly-ionized clusters with sizes in the framework of local spin-density approximation and stabilized jellium model (SJM as well as simple jellium model (JM with rigid jellium. Secondly, we have fitted our results to the asymptotic ionization formulas both with and without the size correction to the work function. The results of fittings show that the formula containing the size correction predict a correct position of the centroid inside the jellium while the other predicts a false position, outside the jellium sphere.

  3. Quantum size correction to the work function and centroid of excess charge in positively ionized simple metal clusters

    International Nuclear Information System (INIS)

    Payami, M.

    2004-01-01

    In this work, we have shown the important role of the finite-size correction to the work function in predicting the correct position of the centroid of excess charge in positively charged simple metal clusters with different r s values (2≤ r s ≥ 7). For this purpose, firstly we have calculated the self-consistent Kohn-Sham energies of neutral and singly-ionized clusters with sizes 2≤ N ≥100 in the framework of local spin-density approximation and stabilized jellium model as well as simple jellium model with rigid jellium. Secondly, we have fitted our results to the asymptotic ionization formulas both with and without the size correction to the work function. The results of fittings show that the formula containing the size correction predict a correct position of the centroid inside the jellium while the other predicts a false position, outside the jellium sphere

  4. Arrays of Size-Selected Metal Nanoparticles Formed by Cluster Ion Beam Technique

    DEFF Research Database (Denmark)

    Ceynowa, F. A.; Chirumamilla, Manohar; Zenin, Volodymyr

    2018-01-01

    Deposition of size-selected copper and silver nanoparticles (NPs) on polymers using cluster beam technique is studied. It is shown that ratio of particle embedment in the film can be controlled by simple thermal annealing. Combining electron beam lithography, cluster beam deposition, and heat...... with required configurations which can be applied for wave-guiding, resonators, in sensor technologies, and surface enhanced Raman scattering....

  5. Simulation of resonance hyper-Rayleigh scattering of molecules and metal clusters using a time-dependent density functional theory approach.

    Science.gov (United States)

    Hu, Zhongwei; Autschbach, Jochen; Jensen, Lasse

    2014-09-28

    Resonance hyper-Rayleigh scattering (HRS) of molecules and metal clusters have been simulated based on a time-dependent density functional theory approach. The resonance first-order hyperpolarizability (β) is obtained by implementing damped quadratic response theory using the (2n + 1) rule. To test this implementation, the prototypical dipolar molecule para-nitroaniline (p-NA) and the octupolar molecule crystal violet are used as benchmark systems. Moreover, small silver clusters Ag 8 and Ag 20 are tested with a focus on determining the two-photon resonant enhancement arising from the strong metal transition. Our results show that, on a per atom basis, the small silver clusters possess two-photon enhanced HRS comparable to that of larger nanoparticles. This finding indicates the potential interest of using small metal clusters for designing new nonlinear optical materials.

  6. Combining in situ transmission electron microscopy irradiation experiments with cluster dynamics modeling to study nanoscale defect agglomeration in structural metals

    International Nuclear Information System (INIS)

    Xu Donghua; Wirth, Brian D.; Li Meimei; Kirk, Marquis A.

    2012-01-01

    We present a combinatorial approach that integrates state-of-the-art transmission electron microscopy (TEM) in situ irradiation experiments and high-performance computing techniques to study irradiation defect dynamics in metals. Here, we have studied the evolution of visible defect clusters in nanometer-thick molybdenum foils under 1 MeV krypton ion irradiation at 80 °C through both cluster dynamics modeling and in situ TEM experiments. The experimental details are reported elsewhere; we focus here on the details of model construction and comparing the model with the experiments. The model incorporates continuous production of point defects and/or small clusters, and the accompanying interactions, which include clustering, recombination and loss to the surfaces that result from the diffusion of the mobile defects. To account for the strong surface effect in thin TEM foils, the model includes one-dimensional spatial dependence along the foil depth, and explicitly treats the surfaces as black sinks. The rich amount of data (cluster number density and size distribution at a variety of foil thickness, irradiation dose and dose rate) offered by the advanced in situ experiments has allowed close comparisons with computer modeling and permitted significant validation and optimization of the model in terms of both physical model construct (damage production mode, identities of mobile defects) and parameterization (diffusivities of mobile defects). The optimized model exhibits good qualitative and quantitative agreement with the in situ TEM experiments. The combinatorial approach is expected to bring a unique opportunity for the study of radiation damage in structural materials.

  7. Electronic and magnetic properties of 3d-metal trioxides superhalogen cluster-doped monolayer MoS2: A first-principles study

    International Nuclear Information System (INIS)

    Li, Dan; Niu, Yuan; Zhao, Hongmin; Liang, Chunjun; He, Zhiqun

    2014-01-01

    Utilizing first-principle calculations, the structural, electronic, and magnetic properties of monolayer MoS 2 doped with 3d transition-metal (TM) atoms and 3d-metal trioxides (TMO 3 ) superhalogen clusters are investigated. 3d-metal TMO 3 superhalogen cluster-doped monolayers MoS 2 almost have negative formation energies except CoO 3 and NiO 3 doped monolayer MoS 2 , which are much lower than those of 3d TM-doped structures. 3d-metal TMO 3 superhalogen clusters are more easily embedded in monolayer MoS 2 than 3d-metal atoms. MnO 3 , FeO 3 , CoO 3 , and NiO 3 incorporated into monolayer MoS 2 are magnetic, and the total magnetic moments are approximately 1.0, 2.0, 3.0, and 4.0 μB per supercell, respectively. MnO 3 and FeO 3 incorporated into monolayer MoS 2 become semiconductors, whereas CoO 3 and NiO 3 incorporated into monolayer MoS 2 become half-metallic. Our studies demonstrate that the half-metallic ferromagnetic nature of 3d-metal TMO 3 superhalogen clusters-doped monolayer MoS 2 has a great potential for MoS 2 -based spintronic device applications. -- Highlights: •TMO 3 superhalogen clusters incorporated into monolayer MoS 2 were investigated. •TMO 3 doped structures have much lower formation energies than TM doped structures. •TMO 3 cluster-doped MoS 2 are thermodynamically favored. •Significant charge transfers between O atoms and Mo atoms in TMO 3 doped structures. •MnO 3 , FeO 3 , CoO 3 , and NiO 3 incorporated into monolayer MoS 2 are magnetic.

  8. Scattering of neutral metal clusters: Long-range interactions and response properties

    International Nuclear Information System (INIS)

    Kresin, V.V.; Scheidemann, A.

    1993-01-01

    The absolute integral cross sections for low-energy collisions of neutral sodium clusters Na n (n=2--40) with atoms and molecules (Ar, N 2 , O 2 , and halogens) have been measured. The cross sections are found to be exceptionally large (up to thousands of square angstroms), showing the dominant role of long-range intermolecular interactions. Elastic scattering proceeding under the influence of the van der Waals force, and a reaction channel involving electron transfer can successfully describe the measurements. The strength of the van der Waals potential is defined by such cluster response properties as the electric polarizability and the frequency of the giant dipole resonance. The reactive electron-jump channel, in turn, is described by the ''harpooning'' mechanism which is sensitive to the cluster ionization potential. Employing parameters taken from spectroscopic studies of alkali clusters, we obtain good agreement with the observed cross sections. This provides a direct connection between beam scattering experiments and studies of cluster electromagnetic response properties

  9. On the applicability of deformed jellium model to the description of metal clusters

    DEFF Research Database (Denmark)

    Lyalin, Andrey G.; Matveentsev, Anton; Solov'yov, Ilia

    2003-01-01

    -density approximation deformed jellium model we have calculated the binding energies per atom, ionization potentials, deformation parameters and the optimized values of the Wigner-Seitz radii for neutral and singly charged sodium clusters with the number of atoms $N0$. These characteristics are compared...... shape deformations in the formation cluster properties and the quite reasonable level of applicability of the deformed jellium model.......This work is devoted to the elucidation the applicability of jellium model to the description of alkali cluster properties on the basis of comparison the jellium model results with those derived from experiment and within ab initio theoretical framework. On the basis of the Hartree-Fock and local...

  10. Metal cluster cation reactions: Carbon monoxide association to Cu + n ions

    Science.gov (United States)

    Leuchtner, R. E.; Harms, A. C.; Castleman, A. W., Jr.

    1990-06-01

    Copper cluster cations (Cu+n,n=1-14) were produced in a laser vaporization/flow tube apparatus and equilibrated to room temperature. The association rate constants of carbon monoxide onto these ions were measured; low-pressure, termolecular behavior was observed for the smaller species while for clusters greater than Cu+7, the longer lifetimes due to the increased number of degrees of freedom leads to pressure independence (>0.3 Torr) of the effective bimolecular rates. Unimolecular decay theory (RRKM) is used to explain the overall trend and when intrinsic surface site reactivity is taken into account, excellent agreement with measured reactivity is obtained.

  11. Visible tunable lighting system based on polymer composites embedding ZnO and metallic clusters: from colloids to thin films

    Science.gov (United States)

    Truong, Thai Giang; Dierre, Benjamin; Grasset, Fabien; Saito, Noriko; Saito, Norio; Nguyen, Thi Kim Ngan; Takahashi, Kohsei; Uchikoshi, Tetsuo; Amela-Cortes, Marian; Molard, Yann; Cordier, Stéphane; Ohashi, Naoki

    2016-01-01

    The development of phosphor devices free of heavy metal or rare earth elements is an important issue for environmental reasons and energy efficiency. Different mixtures of ZnO nanocrystals with Cs2Mo6I8(OOC2F5)6 cluster compound (CMIF) dispersed into polyvinylpyrrolidone matrix have been prepared by very simple and low cost solution chemistry. The resulting solutions have been used to fabricate highly transparent and luminescent films by dip coating free of heavy metal or rare earth elements. The luminescence properties of solution and dip-coated films were investigated. The luminescence of such a system is strongly dependent on the ratios between ZnO and CMIF amounts, the excitation wavelength and the nature of the system. By varying these two parameters (ratio and wavelength), a large variety of colors, from blue to red as well as white, can be achieved. In addition, differences in the luminescence properties have been observed between solutions and thin films as well as changes of CMIF emission band maximum wavelength. This may suggest some possible interactions between the different luminophore centers, such as energy transfer or ligands exchange on the Mo6 clusters.

  12. Density functional study of structural and catalytic properties of free and supported metal nano cluster; Dichtefunktionalstudie der strukturellen und katalytischen Eigenschaften freier und getraegerter Metallnanocluster

    Energy Technology Data Exchange (ETDEWEB)

    Huber, B.

    2007-04-11

    The structural and catalytic properties of metal clusters were determined in the framework of density functional theory. The first part of this work investigates the electronic and geometrical structure of sodium clusters with up to 309 atoms. The ground-state structures of the clusters are determined and the corresponding electronic density of states is compared to experimental photoelectron spectras. The excellent agreement to the experimental results indicates that the correct growth motive of the sodium clusters was found. Small clusters from Na{sup -}{sub 20} to Na{sup -}{sub 42} prefer pentagonal and icosahedral structures with anti-Mackay overlayers, while clusters larger than Na{sup -}{sub 50} prefer icosahedral structures with Mackay overlayers. Clusters between the closed-shell Mackay Clusters often exhibit a twist deformation with respect to the regular Mackay positions. The second part of this work investigates the catalytic properties of free and supported palladium clusters. For both cases the oxidation of small Pd{sub N} clusters (N {<=} 9) was studied. It turned out that MgO supported Pd-clusters dissociate oxygen with a significant lower reaction energy than free clusters or supported systems with particles consisting of several thousands of atoms. The reaction with oxygen transforms the non-crystalline Pd-clusters into crystalline Pd{sub x}O{sub y} nano-oxide clusters that are in epitaxy with the underlying support. Simulations of the CO oxidation on the Pd{sub x}O{sub y} cluster predict a low-temperature reaction mechanism. By calculating the electronic density of states and CO stretch frequencies, different ways of verifying the results experimentally are discussed. (orig.)

  13. Oxygen abundances in halo giants. I - Giants in the very metal-poor globular clusters M92 and M15 and the metal-poor halo field

    Science.gov (United States)

    Sneden, Christopher; Kraft, Robert P.; Prosser, Charles F.; Langer, G. E.

    1991-12-01

    Oxygen, iron, vanadium, and scandium abundances are derived for very metal-poor giants in the globular clusters M92 and M15, and giants of comparable metallicity in the local halo field. The forbidden O I line dublet (6300, 6363) and nearby metallic lines in spectra are analyzed using line analysis and spectral synthesis codes. The Fe/H abundance for M92 is estimated at -2.25 +/-0.02 based on nine giants with a range of 500 K in effective temperature. No evidence for star-to-star variations in the Fe/H abundance was found. O-rich and O-poor stars appear intermixed in the H-R diagram. O - N nuclear synthesis and mixing to the surface are proposed as the best explanation for the low-oxygen giants. The nitrogen abundances obtained earlier for nine of the ten halo field giants in this sample are incompatible with the very large nitrogen abundances expected of the O/Fe abundance of about + 1.2 in halo field subdwarfs, as found by Abia and Rebolo (1989), and not more than 0.6 in halo giants, as found in this and other studies.

  14. Methane Oxidation to Methanol Catalyzed by Cu-Oxo Clusters Stabilized in NU-1000 Metal-Organic Framework.

    Science.gov (United States)

    Ikuno, Takaaki; Zheng, Jian; Vjunov, Aleksei; Sanchez-Sanchez, Maricruz; Ortuño, Manuel A; Pahls, Dale R; Fulton, John L; Camaioni, Donald M; Li, Zhanyong; Ray, Debmalya; Mehdi, B Layla; Browning, Nigel D; Farha, Omar K; Hupp, Joseph T; Cramer, Christopher J; Gagliardi, Laura; Lercher, Johannes A

    2017-08-02

    Copper oxide clusters synthesized via atomic layer deposition on the nodes of the metal-organic framework (MOF) NU-1000 are active for oxidation of methane to methanol under mild reaction conditions. Analysis of chemical reactivity, in situ X-ray absorption spectroscopy, and density functional theory calculations are used to determine structure/activity relations in the Cu-NU-1000 catalytic system. The Cu-loaded MOF contained Cu-oxo clusters of a few Cu atoms. The Cu was present under ambient conditions as a mixture of ∼15% Cu + and ∼85% Cu 2+ . The oxidation of methane on Cu-NU-1000 was accompanied by the reduction of 9% of the Cu in the catalyst from Cu 2+ to Cu + . The products, methanol, dimethyl ether, and CO 2 , were desorbed with the passage of 10% water/He at 135 °C, giving a carbon selectivity for methane to methanol of 45-60%. Cu oxo clusters stabilized in NU-1000 provide an active, first generation MOF-based, selective methane oxidation catalyst.

  15. New insights into the origin and evolution of the old, metal-rich open cluster NGC 6791

    Science.gov (United States)

    Martinez-Medina, Luis A.; Gieles, Mark; Pichardo, Barbara; Peimbert, Antonio

    2018-02-01

    NGC 6791 is one of the most studied open clusters, it is massive (˜5000 M⊙), located at the solar circle, old (˜8 Gyr) and yet the most metal-rich cluster ([Fe/H] ≃ 0.4) known in the Milky Way. By performing an orbital analysis within a Galactic model including spiral arms and a bar, we found that it is plausible that NGC 6791 formed in the inner thin disc or in the bulge, and later displaced by radial migration to its current orbit. We apply different tools to simulate NGC 6791, including direct N-body summation in time-varying potentials, to test its survivability when going through different Galactic environments. In order to survive the 8-Gyr journey moving on a migrating orbit, NGC 6791 must have been more massive, M0 ≥ 5 × 104 M⊙, when formed. We find independent confirmation of this initial mass in the stellar mass function, which is observed to be flat; this can only be explained if the average tidal field strength experienced by the cluster is stronger than what it is at its current orbit. Therefore, the birth place and journeys of NGC 6791 are imprinted in its chemical composition, in its mass-loss and in its flat stellar mass function, supporting its origin in the inner thin disc or in the bulge.

  16. Communication: IR spectroscopy of neutral transition metal clusters through thermionic emission

    NARCIS (Netherlands)

    Lapoutre, V. J. F.; Haertelt, M.; Meijer, G.; Fielicke, A.; Bakker, J. M.

    2013-01-01

    The resonant multiple photon excitation of neutral niobium clusters using tunable infrared (IR) radiation leads to thermionic emission. By measuring the mass-resolved ionization yield as a function of IR wavenumber species selective IR spectra are obtained for Nb-n (n = 5-20) over the 200-350 cm(-1)

  17. Chemical Bonding of Transition-Metal Co13 Clusters with Graphene.

    Science.gov (United States)

    Alonso-Lanza, Tomás; Ayuela, Andrés; Aguilera-Granja, Faustino

    2015-12-01

    We carried out density functional calculations to study the adsorption of Co13 clusters on graphene. Several free isomers were deposited at different positions with respect to the hexagonal lattice nodes, allowing us to study even the hcp 2d isomer, which was recently obtained as the most stable one. Surprisingly, the Co13 clusters attached to graphene prefer icosahedron-like structures in which the low-lying isomer is much distorted; in such structures, they are linked with more bonds than those reported in previous works. For any isomer, the most stable position binds to graphene by the Co atoms that can lose electrons. We find that the charge transfer between graphene and the clusters is small enough to conclude that the Co-graphene binding is not ionic-like but chemical. Besides, the same order of stability among the different isomers on doped graphene is kept. These findings could also be of interest for magnetic clusters on graphenic nanostructures such as ribbons and nanotubes. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Non-Linear Optically Active Metal Clusters in Nanoscaled Systems Including Self-Assembled Organic Films

    DEFF Research Database (Denmark)

    Balzer, Frank; Jett, S. D.; Rubahn, Horst-Günter

    2000-01-01

    are initially monitored in ultrahigh vacuum by comparison of calculated with measured polarization-dependent extinction spectra. We find that at low surface temperatures (150 K) the cluster growth is very similar to growth directly on insulating substrates. With increasing surface temperature the size...

  19. Turbulence models in supersonic flows

    International Nuclear Information System (INIS)

    Shirani, E.; Ahmadikia, H.; Talebi, S.

    2001-05-01

    The aim of this paper is to evaluate five different turbulence models when used in rather complicated two-dimensional and axisymmetric supersonic flows. They are Baldwin-Lomax, k-l, k-ε, k-ω and k-ζ turbulence models. The compressibility effects, axisymmetric correction terms and some modifications for transition region are used and tested in the models. Two computer codes based on the control volume approach and two flux-splitting methods. Roe and Van Leer, are developed. The codes are used to simulate supersonic mixing layers, flow behind axisymmetric body, under expanded jet, and flow over hollow cylinder flare. The results are compared with experimental data and behavior of the turbulence models is examined. It is shown that both k-l and k-ζ models produce very good results. It is also shown that the compressibility correction in the model is required to obtain more accurate results. (author)

  20. Enhanced high-order harmonic generation from Argon-clusters

    NARCIS (Netherlands)

    Tao, Yin; Hagmeijer, Rob; Bastiaens, Hubertus M.J.; Goh, S.J.; van der Slot, P.J.M.; Biedron, S.; Milton, S.; Boller, Klaus J.

    2017-01-01

    High-order harmonic generation (HHG) in clusters is of high promise because clusters appear to offer an increased optical nonlinearity. We experimentally investigate HHG from Argon clusters in a supersonic gas jet that can generate monomer-cluster mixtures with varying atomic number density and

  1. Cluster-cluster clustering

    International Nuclear Information System (INIS)

    Barnes, J.; Dekel, A.; Efstathiou, G.; Frenk, C.S.; Yale Univ., New Haven, CT; California Univ., Santa Barbara; Cambridge Univ., England; Sussex Univ., Brighton, England)

    1985-01-01

    The cluster correlation function xi sub c(r) is compared with the particle correlation function, xi(r) in cosmological N-body simulations with a wide range of initial conditions. The experiments include scale-free initial conditions, pancake models with a coherence length in the initial density field, and hybrid models. Three N-body techniques and two cluster-finding algorithms are used. In scale-free models with white noise initial conditions, xi sub c and xi are essentially identical. In scale-free models with more power on large scales, it is found that the amplitude of xi sub c increases with cluster richness; in this case the clusters give a biased estimate of the particle correlations. In the pancake and hybrid models (with n = 0 or 1), xi sub c is steeper than xi, but the cluster correlation length exceeds that of the points by less than a factor of 2, independent of cluster richness. Thus the high amplitude of xi sub c found in studies of rich clusters of galaxies is inconsistent with white noise and pancake models and may indicate a primordial fluctuation spectrum with substantial power on large scales. 30 references

  2. Advanced supersonic propulsion study, phase 3

    Science.gov (United States)

    Howlett, R. A.; Johnson, J.; Sabatella, J.; Sewall, T.

    1976-01-01

    The variable stream control engine is determined to be the most promising propulsion system concept for advanced supersonic cruise aircraft. This concept uses variable geometry components and a unique throttle schedule for independent control of two flow streams to provide low jet noise at takeoff and high performance at both subsonic and supersonic cruise. The advanced technology offers a 25% improvement in airplane range and an 8 decibel reduction in takeoff noise, relative to first generation supersonic turbojet engines.

  3. Radial velocities and metallicities from infrared Ca ii triplet spectroscopy of open clusters. II. Berkeley 23, King 1, NGC 559, NGC 6603, and NGC 7245

    Science.gov (United States)

    Carrera, R.; Casamiquela, L.; Ospina, N.; Balaguer-Núñez, L.; Jordi, C.; Monteagudo, L.

    2015-06-01

    Context. Open clusters are key to studying the formation and evolution of the Galactic disc. However, there is a deficiency of radial velocity and chemical abundance determinations for open clusters in the literature. Aims: We intend to increase the number of determinations of radial velocities and metallicities from spectroscopy for open clusters. Methods: We acquired medium-resolution spectra (R ~ 8000) in the infrared region Ca ii triplet lines (~8500 Å) for several stars in five open clusters with the long-slit IDS spectrograph on the 2.5 m Isaac Newton Telescope (Roque de los Muchachos Observatory, Spain). Radial velocities were obtained by cross-correlation fitting techniques. The relationships available in the literature between the strength of infrared Ca ii lines and metallicity were also used to derive the metallicity for each cluster. Results: We obtain ⟨Vr⟩ = 48.6 ± 3.4, -58.4 ± 6.8, 26.0 ± 4.3, and -65.3 ± 3.2 km s-1 for Berkeley 23, NGC 559, NGC 6603, and NGC 7245, respectively. We found [ Fe/H ] = -0.25 ± 0.14 and -0.15 ± 0.18 for NGC 559 and NGC 7245, respectively. Berkeley 23 has low metallicity, [ Fe/H ] = -0.42 ± 0.13, which is similar to other open clusters in the outskirts of the Galactic disc. In contrast, we derived high metallicity ([ Fe/H ] = +0.43 ± 0.15) for NGC 6603, which places this system among the most metal-rich known open clusters. To our knowledge, this is the first determination of radial velocities and metallicities from spectroscopy for these clusters, except NGC 6603, for which radial velocities had been previously determined. We have also analysed ten stars in the line of sight to King 1. Because of the large dispersion obtained in both radial velocity and metallicity, we cannot be sure that we have sampled true cluster members. Based on observations made with the 2.5 m Isaac Newton Telescope operated on the island of La Palma by the Isaac Newton Group in the Spanish Observatorio del Roque de los Muchachos of the

  4. Collision induced fragmentation dynamics of small metallic clusters; Dynamique de fragmentation induite par collision de petits agregats metalliques

    Energy Technology Data Exchange (ETDEWEB)

    Picard, Y

    1999-04-15

    The goal of this work is the complete analysis of the fragmentation of alkali clusters (Na{sub n}{sup +} (n < 10), NaK{sup +} and K{sub 2}{sup +}) induced by collision with light atomic (He) or molecular (H{sub 2}) targets. The main point is to study how the energy is transmitted to the cluster during the collision and how this energy is shared among the various degrees of freedom of the system and leads to its fragmentation. Two types of interactions govern the collision induced dissociation processes: on one hand, the electronic mechanisms where the target perturbs the electronic cloud and brings the molecule into a dissociative state, and on the other hand, the impulsive mechanisms where the momentum transferred to the atomic cores leads to the rotational-vibrational dissociation of the molecule. The experimental procedure is based on the measurement of the velocity vectors of the outgoing fragments detected in coincidence. This allows to reconstruct the full kinematics of the fragmentation and to separate and characterize for the first time the two types of interactions. The two basic mechanisms of collision induced dissociation are then clearly resolved for the diatomic molecule Na{sub 2}{sup +}. For the heteronuclear molecular ion NaK{sup +}, it is shown that the dissociation process is due to a combination of electronic and impulsive mechanisms in some of the dissociation pathways. The extension to the study of metallic clusters Na{sub n}{sup +} (n < 10) fragmentation shows the role and the relative importance of the electronic and impulsive mechanisms and their evolution with the cluster size. The complete analysis of Na{sub 3}{sup +} multi-fragmentation is also presented. (author)

  5. Supersonic Retropropulsion Flight Test Concepts

    Science.gov (United States)

    Post, Ethan A.; Dupzyk, Ian C.; Korzun, Ashley M.; Dyakonov, Artem A.; Tanimoto, Rebekah L.; Edquist, Karl T.

    2011-01-01

    NASA's Exploration Technology Development and Demonstration Program has proposed plans for a series of three sub-scale flight tests at Earth for supersonic retropropulsion, a candidate decelerator technology for future, high-mass Mars missions. The first flight test in this series is intended to be a proof-of-concept test, demonstrating successful initiation and operation of supersonic retropropulsion at conditions that replicate the relevant physics of the aerodynamic-propulsive interactions expected in flight. Five sub-scale flight test article concepts, each designed for launch on sounding rockets, have been developed in consideration of this proof-of-concept flight test. Commercial, off-the-shelf components are utilized as much as possible in each concept. The design merits of the concepts are compared along with their predicted performance for a baseline trajectory. The results of a packaging study and performance-based trade studies indicate that a sounding rocket is a viable launch platform for this proof-of-concept test of supersonic retropropulsion.

  6. Cluster harvesting by successive reduction of a metal halide with a nonconventional reduction agent: a benefit for the exploration of metal-rich halide systems.

    Science.gov (United States)

    Ströbele, Markus; Mos, Agnieszka; Meyer, Hans-Jürgen

    2013-06-17

    The preparation of thermally labile compounds is a great temptation in chemistry which requires a careful selection of reaction media and reaction conditions. With a new scanning technique denoted here as Cluster Harvesting, a whole series of metal halide compounds is detected by differential thermal analysis (DTA) in fused silica tubes and structurally characterized by X-ray powder diffraction. Experiments of the reduction of tungsten hexahalides with elemental antimony and iron are presented. A cascade of six compounds is identified during the reduction with antimony, and five compounds or phases are monitored following the reduction with iron. The crystal structure of Fe2W2Cl10 is reported, and two other phases in the Fe-W-Cl system are discussed.

  7. Do supersonic aircraft avoid contrails?

    Directory of Open Access Journals (Sweden)

    A. Stenke

    2008-02-01

    Full Text Available The impact of a potential future fleet of supersonic aircraft on contrail coverage and contrail radiative forcing is investigated by means of simulations with the general circulation model ECHAM4.L39(DLR including a contrail parameterization. The model simulations consider air traffic inventories of a subsonic fleet and of a combined fleet of sub- and supersonic aircraft for the years 2025 and 2050, respectively. In case of the combined fleet, part of the subsonic fleet is replaced by supersonic aircraft. The combined air traffic scenario reveals a reduction in contrail cover at subsonic cruise levels (10 to 12 km in the northern extratropics, especially over the North Atlantic and North Pacific. At supersonic flight levels (18 to 20 km, contrail formation is mainly restricted to tropical regions. Only in winter is the northern extratropical stratosphere above the 100 hPa level cold enough for the formation of contrails. Total contrail coverage is only marginally affected by the shift in flight altitude. The model simulations indicate a global annual mean contrail cover of 0.372% for the subsonic and 0.366% for the combined fleet in 2050. The simulated contrail radiative forcing is most closely correlated to the total contrail cover, although contrails in the tropical lower stratosphere are found to be optically thinner than contrails in the extratropical upper troposphere. The global annual mean contrail radiative forcing in 2050 (2025 amounts to 24.7 mW m−2 (9.4 mW m−2 for the subsonic fleet and 24.2 mW m−2 (9.3 mW m−2 for the combined fleet. A reduction of the supersonic cruise speed from Mach 2.0 to Mach 1.6 leads to a downward shift in contrail cover, but does not affect global mean total contrail cover and contrail radiative forcing. Hence the partial substitution of subsonic air traffic leads to a shift of contrail occurrence from mid to low latitudes, but the resulting change in

  8. Validity of the classical monte carlo method to model the magnetic properties of a large transition-metal cluster: Mn19.

    Science.gov (United States)

    Lima, Nicola; Caneschi, Andrea; Gatteschi, Dante; Kritikos, Mikael; Westin, L Gunnar

    2006-03-20

    The susceptibility of the large transition-metal cluster [Mn19O12(MOE)14(MOEH)10].MOEH (MOE = OC2H2O-CH3) has been fitted through classical Monte Carlo simulation, and an estimation of the exchange coupling constants has been done. With these results, it has been possible to perform a full-matrix diagonalization of the cluster core, which was used to provide information on the nature of the low-lying levels.

  9. Structural, electronic and magnetic properties of 3d metal trioxide clusters-doped monolayer graphene: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Rafique, Muhammad [School of Energy Science and Engineering, Harbin Institute of Technology, 92 West Dazhi Street, Harbin 150001 (China); M.U.E.T, S.Z.A.B, Campus Khairpur Mir' s, Sindh (Pakistan); Shuai, Yong, E-mail: shuaiyong1978@gmail.com [School of Energy Science and Engineering, Harbin Institute of Technology, 92 West Dazhi Street, Harbin 150001 (China); Tan, He-Ping; Hassan, Muhammad [School of Energy Science and Engineering, Harbin Institute of Technology, 92 West Dazhi Street, Harbin 150001 (China)

    2017-03-31

    Highlights: • First-principles calculations are performed for TMO{sub 3} cluster-doped and TM atoms adsorbed at three O atoms-doped graphene. • Significant magnetic coupling behavior is observed between TM atoms and neighboring C and O atoms for both cases. • The direction of charge transfer is always from monolayer graphene to TMO{sub 3} clusters incorporated into graphene. • TiO{sub 3} and VO{sub 3} doped structures display dilute magnetic semiconductor behavior. • Five different orbitals (d{sub xy}, d{sub yz}, d{sub z}{sup 2}, d{sub xz} and d{sub x}{sup 2}{sub -y}{sup 2}) of 3d TM atoms give rise to magnetic moments for both cases. - Abstract: We present first-principles density-functional calculations for the structural, electronic and magnetic properties of monolayer graphene doped with 3d (Ti, V, Cr, Fe, Co, Mn and Ni) metal trioxide TMO{sub 3} halogen clusters. In this paper we used two approaches for 3d metal trioxide clusters (i) TMO{sub 3} halogen cluster was embedded in monolayer graphene substituting four carbon (C) atoms (ii) three C atoms were substituted by three oxygen (O) atoms in one graphene ring and TM atom was adsorbed at the hollow site of O atoms substituted graphene ring. All the impurities were tightly bonded in the graphene ring. In first case of TMO{sub 3} doped graphene layer, the bond length between C−O atom was reduced and bond length between TM-O atom was increased. In case of Cr, Fe, Co and Ni atoms substitution in between the O atoms, leads to Fermi level shifting to conduction band thereby causing the Dirac cone to move into valence band, however a band gap appears at high symmetric K-point. In case of TiO{sub 3} and VO{sub 3} substitution, system exhibits semiconductor properties. Interestingly, TiO{sub 3}-substituted system shows dilute magnetic semiconductor behavior with 2.00 μ{sub B} magnetic moment. On the other hand, the substitution of CoO{sub 3}, CrO{sub 3}, FeO{sub 3} and MnO{sub 3} induced 1.015 μ{sub B}, 2

  10. Metal Enhanced Fluorescence on Super-Hydrophobic Clusters of Gold Nanoparticles

    KAUST Repository

    Battista, Edmondo; Coluccio, Maria Laura; Alabastri, Alessandro; Barberio, Marianna; Causa, Filippo; Netti, Paolo Antonio; Di Fabrizio, Enzo M.; Gentile, Francesco

    2016-01-01

    We used optical lithography, electroless deposition and deep reactive ion etching techniques to realize arrays of super-hydrophobic gold nanoparticles arranged in a hierarchical structure. At the micro-scale, silicon-micro pillars in the chip permit to manipulate and concentrate biological solutions, at the nano-scale, gold nanoparticles enable metal enhanced fluorescence (MEF) effects, whereby fluorescence signal of fluorophores in close proximity to a rough metal surface is amplified by orders of magnitude. Here, we demonstrated the device in the analysis of fluorescein derived gold-binding peptides (GBP-FITC). While super-hydrophobic schemes and MEF effects have been heretofore used in isolation, their integration in a platform may advance the current state of fluorescence-based sensing technology in medical diagnostics and biotechnology. This scheme may be employed in protein microarrays where the increased sensitivity of the device may enable the early detection of cancer biomarkers or other proteins of biomedical interest.

  11. Metal Enhanced Fluorescence on Super-Hydrophobic Clusters of Gold Nanoparticles

    KAUST Repository

    Battista, Edmondo

    2016-12-15

    We used optical lithography, electroless deposition and deep reactive ion etching techniques to realize arrays of super-hydrophobic gold nanoparticles arranged in a hierarchical structure. At the micro-scale, silicon-micro pillars in the chip permit to manipulate and concentrate biological solutions, at the nano-scale, gold nanoparticles enable metal enhanced fluorescence (MEF) effects, whereby fluorescence signal of fluorophores in close proximity to a rough metal surface is amplified by orders of magnitude. Here, we demonstrated the device in the analysis of fluorescein derived gold-binding peptides (GBP-FITC). While super-hydrophobic schemes and MEF effects have been heretofore used in isolation, their integration in a platform may advance the current state of fluorescence-based sensing technology in medical diagnostics and biotechnology. This scheme may be employed in protein microarrays where the increased sensitivity of the device may enable the early detection of cancer biomarkers or other proteins of biomedical interest.

  12. Oblique-Flying-Wing Supersonic Transport Airplane

    Science.gov (United States)

    Van Der Velden, Alexander J. M.

    1992-01-01

    Oblique-flying-wing supersonic airplane proposed as possible alternative to B747B (or equivalent). Tranports passengers and cargo as fast as twice speed of sound at same cost as current subsonic transports. Flies at same holding speeds as present supersonic transports but requires only half takeoff distance.

  13. Molecular dynamics simulations with electronic stopping can reproduce experimental sputtering yields of metals impacted by large cluster ions

    Science.gov (United States)

    Tian, Jiting; Zhou, Wei; Feng, Qijie; Zheng, Jian

    2018-03-01

    An unsolved problem in research of sputtering from metals induced by energetic large cluster ions is that molecular dynamics (MD) simulations often produce sputtering yields much higher than experimental results. Different from the previous simulations considering only elastic atomic interactions (nuclear stopping), here we incorporate inelastic electrons-atoms interactions (electronic stopping, ES) into MD simulations using a friction model. In this way we have simulated continuous 45° impacts of 10-20 keV C60 on a Ag(111) surface, and found that the calculated sputtering yields can be very close to the experimental results when the model parameter is appropriately assigned. Conversely, when we ignore the effect of ES, the yields are much higher, just like the previous studies. We further expand our research to the sputtering of Au induced by continuous keV C60 or Ar100 bombardments, and obtain quite similar results. Our study indicates that the gap between the experimental and the simulated sputtering yields is probably induced by the ignorance of ES in the simulations, and that a careful treatment of this issue is important for simulations of cluster-ion-induced sputtering, especially for those aiming to compare with experiments.

  14. Monte-Carlo simulation of defect-cluster nucleation in metals during irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Nakasuji, Toshiki, E-mail: t-nakasuji@iae.kyoto-u.ac.jp [Graduate School of Energy Science, Kyoto University, Uji, Kyoto 611-0011 (Japan); Morishita, Kazunori [Institute of Advanced Energy, Kyoto University, Uji, Kyoto 611-0011 (Japan); Ruan, Xiaoyong [Graduate School of Energy Science, Kyoto University, Uji, Kyoto 611-0011 (Japan)

    2017-02-15

    Highlights: • Monte-Carlo simulations were performed to investigate the nucleation process of copper-vacancy clusters in Fe. • Nucleation paths were obtained as a function of temperature and the damage rate. - Abstract: A multiscale modeling approach was applied to investigate the nucleation process of CRPs (copper rich precipitates, i.e., copper-vacancy clusters) in α-Fe containing 1 at.% Cu during irradiation. Monte-Carlo simulations were performed to investigate the nucleation process, with the rate theory equation analysis to evaluate the concentration of displacement defects, along with the molecular dynamics technique to know CRP thermal stabilities in advance. Our MC simulations showed that there is long incubation period at first, followed by a rapid growth of CRPs. The incubation period depends on irradiation conditions such as the damage rate and temperature. CRP’s composition during nucleation varies with time. The copper content of CRPs shows relatively rich at first, and then becomes poorer as the precipitate size increases. A widely-accepted model of CRP nucleation process is finally proposed.

  15. Monte-Carlo simulation of defect-cluster nucleation in metals during irradiation

    International Nuclear Information System (INIS)

    Nakasuji, Toshiki; Morishita, Kazunori; Ruan, Xiaoyong

    2017-01-01

    Highlights: • Monte-Carlo simulations were performed to investigate the nucleation process of copper-vacancy clusters in Fe. • Nucleation paths were obtained as a function of temperature and the damage rate. - Abstract: A multiscale modeling approach was applied to investigate the nucleation process of CRPs (copper rich precipitates, i.e., copper-vacancy clusters) in α-Fe containing 1 at.% Cu during irradiation. Monte-Carlo simulations were performed to investigate the nucleation process, with the rate theory equation analysis to evaluate the concentration of displacement defects, along with the molecular dynamics technique to know CRP thermal stabilities in advance. Our MC simulations showed that there is long incubation period at first, followed by a rapid growth of CRPs. The incubation period depends on irradiation conditions such as the damage rate and temperature. CRP’s composition during nucleation varies with time. The copper content of CRPs shows relatively rich at first, and then becomes poorer as the precipitate size increases. A widely-accepted model of CRP nucleation process is finally proposed.

  16. VizieR Online Data Catalog: Ages and metallicities for M31 star clusters (Fan+, 2016)

    Science.gov (United States)

    Fan, Z.; de Grijs, R.; Chen, B.; Jiang, L.; Bian, F.; Li, Z.

    2017-05-01

    We have selected 22 confirmed M31 globular clusters from Peacock et al. 2010 (Cat. J/MNRAS/402/803). Spectroscopic observations were carried out with the 6.5m MMT/Red Channel Spectrograph from 2010 October 31 to 2010 November 2 and on 2011 November 4. The telescope is located on Mt. Hopkins in Arizona (USA) at an altitude of 2581m. The exposure times used ranged from 480-1800s, depending on the cluster brightness. The median seeing was ~0.98'' and we adopted a slit aperture of 0.75''*180''. The CCD's size is 450*1032 pixels2. It is characterized by a gain of 1.3e- ADU-1, with a readout noise of 3.5e-. A grating with 600l/mm with a blaze 1st/4800 was used. The spectral resolution was R=960 for a slit of 1'' and a central wavelength of 4701Å; the dispersion was 1.63Å/pixel. (7 data files).

  17. The emergence of nonbulk properties in supported metal clusters: negative thermal expansion and atomic disorder in Pt nanoclusters supported on gamma-Al2O3.

    Science.gov (United States)

    Sanchez, Sergio I; Menard, Laurent D; Bram, Ariella; Kang, Joo H; Small, Matthew W; Nuzzo, Ralph G; Frenkel, Anatoly I

    2009-05-27

    The structural dynamics-cluster size and adsorbate-dependent thermal behaviors of the metal-metal (M-M) bond distances and interatomic order-of Pt nanoclusters supported on a gamma-Al(2)O(3) are described. Data from scanning transmission electron microscopy (STEM) and X-ray absorption spectroscopy (XAS) studies reveal that these materials possess a dramatically nonbulklike nature. Under an inert atmosphere small, subnanometer Pt/gamma-Al(2)O(3) clusters exhibit marked relaxations of the M-M bond distances, negative thermal expansion (NTE) with an average linear thermal expansion coefficient alpha = (-2.4 +/- 0.4) x 10(-5) K(-1), large static disorder and dynamical bond (interatomic) disorder that is poorly modeled within the constraints of classical theory. The data further demonstrate a significant temperature-dependence to the electronic structure of the Pt clusters, thereby suggesting the necessity of an active model to describe the cluster/support interactions mediating the cluster's dynamical structure. The quantitative dependences of these nonbulklike behaviors on cluster size (0.9 to 2.9 nm), ambient atmosphere (He, 4% H(2) in He or 20% O(2) in He) and support identity (gamma-Al(2)O(3) or carbon black) are systematically investigated. We show that the nonbulk structural, electronic and dynamical perturbations are most dramatically evidenced for the smallest clusters. The adsorption of hydrogen on the clusters leads to an increase of the Pt-Pt bondlengths (due to a lifting of the surface relaxation) and significant attenuation of the disorder present in the system. Oxidation of these same clusters has the opposite effect, leading to an increase in Pt-Pt bond strain and subsequent enhancement in nonbulklike thermal properties. The structural and electronic properties of Pt nanoclusters supported on carbon black contrast markedly with those of the Pt/gamma-Al(2)O(3) samples in that neither NTE nor comparable levels of atomic disorder are observed. The Pt

  18. Advanced nuclear turbojet powerplant characteristics summary for supersonic aircraft

    International Nuclear Information System (INIS)

    Larson, John W.

    1959-01-01

    The estimated powerplant characteristics of an advanced nuclear powerplant intended for use in a nuclear supersonic manned airplane is contained in this report. This nuclear powerplant consists of a 575 MW, high temperature, lithium-cooled, solid fuel element-type reactor coupled to six turbojet engines especially designed for a supersonic nuclear airplane. The lithium coolant passes from the reactor at 2000F directly to the engine radiators without the use of an intermediate heat exchanger. The engines are fitted with burners enabling the thrust produced by the nuclear powerplant to be augmented by the use of chemical fuel for the take-off, transonic acceleration and landing portions of the flight. The powerplant components have been selected for a maximum thrust-to-weight ratio at Mach 3 and 55,000 feet altitude on nuclear heat only operation compromised for net thrust produced with chemical fuel augmentation during the transonic portion of flight. The power plant data presented, therefore, are primarily applicable to an all supersonic mission on nuclear heat alone. The powerplant data presented in this report are an extension of data contained in PWAC-243, 'NJ-14 All-Nuclear Supersonic Bomber Powerplant Characteristics Summary, March 11, 1958', to a higher reactor power. In addition, the engine compressor pressure ratio has been increased to improve transonic thrust characteristics. Weight data are tabulated for the 575 MW powerplant. The engine envelope based on preliminary radiator size estimates is illustrated. A liquid metal system flow schematic and piping data are included. Shield information including reactor shield outline, assumptions, weights, and direct dose pattern at 50 feet is also included. Estimated performance on nuclear heat only operation and nuclear heat plus burning is presented for an envelope of flight conditions.

  19. Supersonic wave detection method and supersonic detection device

    International Nuclear Information System (INIS)

    Machida, Koichi; Seto, Takehiro; Ishizaki, Hideaki; Asano, Rin-ichi.

    1996-01-01

    The present invention provides a method of and device for a detection suitable to a channel box which is used while covering a fuel assembly of a BWR type reactor. Namely, a probe for transmitting/receiving supersonic waves scans on the surface of the channel box. A data processing device determines an index showing a selective orientation degree of crystal direction of the channel box based on the signals received by the probe. A judging device compares the determined index with a previously determined allowable range to judge whether the channel box is satisfactory or not based on the result of the comparison. The judgement are on the basis that (1) the bending of the channel box is caused by the difference of elongation of opposed surfaces, (2) the elongation due to irradiation is caused by the selective orientation of crystal direction, and (3) the bending of the channel box can be suppressed within a predetermined range by suppressing the index determined by the measurement of supersonic waves having a correlation with the selective orientation of the crystal direction. As a result, the performance of the channel box capable of enduring high burnup region can be confirmed in a nondestructive manner. (I.S.)

  20. Detonation in supersonic radial outflow

    KAUST Repository

    Kasimov, Aslan R.

    2014-11-07

    We report on the structure and dynamics of gaseous detonation stabilized in a supersonic flow emanating radially from a central source. The steady-state solutions are computed and their range of existence is investigated. Two-dimensional simulations are carried out in order to explore the stability of the steady-state solutions. It is found that both collapsing and expanding two-dimensional cellular detonations exist. The latter can be stabilized by putting several rigid obstacles in the flow downstream of the steady-state sonic locus. The problem of initiation of standing detonation stabilized in the radial flow is also investigated numerically. © 2014 Cambridge University Press.

  1. MASS-TO-LIGHT RATIOS FOR M31 GLOBULAR CLUSTERS: AGE DATING AND A SURPRISING METALLICITY TREND

    International Nuclear Information System (INIS)

    Strader, Jay; Huchra, John P.; Smith, Graeme H.; Brodie, Jean P.; Larsen, Soeren

    2009-01-01

    We have obtained velocity dispersions from Keck high-resolution integrated spectroscopy of 10 M31 globular clusters (GCs), including three candidate intermediate-age GCs. We show that these candidates have the same V-band mass-to-light (M/L V ) ratios as the other GCs, implying that they are likely to be old. We also find a trend of derived velocity dispersion with wavelength, but cannot distinguish between a systematic error and a physical effect. Our new measurements are combined with photometric and spectroscopic data from the literature in a re-analysis of all M31 GC M/L V values. In a combined sample of 27 GCs, we show that the metal-rich GCs have lower M/L V than the metal-poor GCs, in conflict with predictions from stellar population models. Fragmentary data for other galaxies support this observation. The M31 GC fundamental plane is extremely tight, and we follow up an earlier suggestion by Djorgovski to show that the fundamental plane can be used to estimate accurate distances (potentially 10% or better).

  2. Structure and binding of molecular clusters of trivalent metal halides in an ionic model

    International Nuclear Information System (INIS)

    Akdeniz, Z.; Pastore, G.; Tosi, M.P.

    1997-10-01

    A model of ionic interactions first proposed for the molecular monomers of alkaline earth dihalides (G. Galli and M. P. Tosi, N. Ciemento D 4,413 (1984)) is used in a systematic study of the structure and binding of monomeric and dimeric units of Al, Fe ad Ga chlorides, bromides and iodides. Ionized states obtained by stripping or adding a halogen ion are considered in addition to neutral states. The main motivation for this work comes from recent studies of liquid structure in several of these systems by neutron and X-ray diffraction and Raman scattering. Main attention is consequently given in the present calculations to (i) bond lengths and bond angles in isolated clusters as precursors of local structures in melts, and (ii) stability of local structures against fluctuations into ionized states. The results are discussed in comparison with the available experimental data as well as with the results from Hartree-Fock and density functional calculations. (author)

  3. Basis set convergence on static electric dipole polarizability calculations of alkali-metal clusters

    International Nuclear Information System (INIS)

    Souza, Fabio A. L. de; Jorge, Francisco E.

    2013-01-01

    A hierarchical sequence of all-electron segmented contracted basis sets of double, triple and quadruple zeta valence qualities plus polarization functions augmented with diffuse functions for the atoms from H to Ar was constructed. A systematic study of basis sets required to obtain reliable and accurate values of static dipole polarizabilities of lithium and sodium clusters (n = 2, 4, 6 and 8) at their optimized equilibrium geometries is reported. Three methods are examined: Hartree-Fock (HF), second-order Moeller-Plesset perturbation theory (MP2), and density functional theory (DFT). By direct calculations or by fitting the directly calculated values through one extrapolation scheme, estimates of the HF, MP2 and DFT complete basis set limits were obtained. Comparison with experimental and theoretical data reported previously in the literature is done (author)

  4. Basis set convergence on static electric dipole polarizability calculations of alkali-metal clusters

    Energy Technology Data Exchange (ETDEWEB)

    Souza, Fabio A. L. de; Jorge, Francisco E., E-mail: jorge@cce.ufes.br [Departamento de Fisica, Universidade Federal do Espirito Santo, 29060-900 Vitoria-ES (Brazil)

    2013-07-15

    A hierarchical sequence of all-electron segmented contracted basis sets of double, triple and quadruple zeta valence qualities plus polarization functions augmented with diffuse functions for the atoms from H to Ar was constructed. A systematic study of basis sets required to obtain reliable and accurate values of static dipole polarizabilities of lithium and sodium clusters (n = 2, 4, 6 and 8) at their optimized equilibrium geometries is reported. Three methods are examined: Hartree-Fock (HF), second-order Moeller-Plesset perturbation theory (MP2), and density functional theory (DFT). By direct calculations or by fitting the directly calculated values through one extrapolation scheme, estimates of the HF, MP2 and DFT complete basis set limits were obtained. Comparison with experimental and theoretical data reported previously in the literature is done (author)

  5. Effects of carbonyl bond, metal cluster dissociation, and evaporation rates on predictions of nanotube production in high-pressure carbon monoxide

    Science.gov (United States)

    Scott, Carl D.; Smalley, Richard E.

    2003-01-01

    The high-pressure carbon monoxide (HiPco) process for producing single-wall carbon nanotubes (SWNTs) uses iron pentacarbonyl as the source of iron for catalyzing the Boudouard reaction. Attempts using nickel tetracarbonyl led to no production of SWNTs. This paper discusses simulations at a constant condition of 1300 K and 30 atm in which the chemical rate equations are solved for different reaction schemes. A lumped cluster model is developed to limit the number of species in the models, yet it includes fairly large clusters. Reaction rate coefficients in these schemes are based on bond energies of iron and nickel species and on estimates of chemical rates for formation of SWNTs. SWNT growth is measured by the conformation of CO2. It is shown that the production of CO2 is significantly greater for FeCO because of its lower bond energy as compared with that of NiCO. It is also shown that the dissociation and evaporation rates of atoms from small metal clusters have a significant effect on CO2 production. A high rate of evaporation leads to a smaller number of metal clusters available to catalyze the Boudouard reaction. This suggests that if CO reacts with metal clusters and removes atoms from them by forming MeCO, this has the effect of enhancing the evaporation rate and reducing SWNT production. The study also investigates some other reactions in the model that have a less dramatic influence.

  6. Structure and nature of the metal-support interface: characterization of iridium clusters on magnesium oxide by extended x-ray absorption fine structure spectroscopy

    NARCIS (Netherlands)

    Zon, van F.B.M.; Maloney, S.D.; Gates, B.C.; Koningsberger, D.C.

    1993-01-01

    X-ray absorption spectroscopy was used to characterize the metal-support interface in catalysts consisting of very small Ir clusters of nearly uniform nuclearity on the surface of MgO powder. [Ir4(CO)12] on MgO was converted in high yield into [HIr4(CO)11]- and sep. into [Ir6(CO)15]2-. EXAFS data

  7. Identification of novel synthetic organic compounds with supersonic gas chromatography-mass spectrometry.

    Science.gov (United States)

    Fialkov, Alexander B; Amirav, Aviv

    2004-11-26

    Several novel synthetic organic compounds were successfully analyzed with a unique type of GC-MS titled Supersonic GC-MS following a failure in their analysis with standard GC-MS. Supersonic GC-MS is based on interfacing GC and MS with a supersonic molecular beam (SMB) and on electron ionization of sample compounds as vibrationally cold molecules while in the SMB, or by cluster chemical ionization. The analyses of novel synthetic organic compounds significantly benefited from the extended range of compounds amenable to analyses with the Supersonic GC-MS. The Supersonic GC-MS enabled the analysis of thermally labile compounds that usually degrade in the GC injector, column and/or ion source. Due to the high carrier gas flow rate at the injector liner and column these compounds eluted without degradation at significantly lower elution temperatures and the use of fly-through EI ion source eliminated any sample degradation at the ion source. The cold EI feature of providing trustworthy enhanced molecular ion (M+), complemented by its optional further confirmation with cluster CI was highly valued by the synthetic organic chemists that were served by the Supersonic GC-MS. Furthermore, the provision of extended mass spectral structural, isomer and isotope information combined with short (a few minutes) GC-MS analysis times also proved beneficial for the analysis of unknown synthetic organic compounds. As a result, the synthetic organic chemists were provided with both qualitative and quantitative data on the composition of their synthetic mixture, and could better follow the path of their synthetic chemistry. Ten cases of such analyses are demonstrated in figures and discussed.

  8. Diagnosis for the interaction of supersonic molecular beam with plasma

    International Nuclear Information System (INIS)

    Yao Lianghua; Feng Beibing; Feng Zhen; Luo Junlin; Dong Jiafu; Yan Longwen; Hong Wenyu

    2001-01-01

    Supersonic Molecular Beam Injection (SMBI) is a new fuelling method for Tokamaks and has recently been improved to enhance the flux of the beam and to make a survey of the cluster effect within the beam. There are a series of new phenomena, which implicate the interaction of the beam (including clusters) with the toroidal plasma of HL-1M Tokamak. The H α signals from the edge show a regular variation around the torus. Around the injection port, the edge H α signals are positive rectangular wave, which is consistent with that of the injection beam pulses. The edge electron temperature, measured with movable Langmuir probes, decreases by an order of magnitude and the density increases by an order of magnitude. H α emission at the beam injection port, measured with CCD camera at an angle of 13.4 degrees to the SMBI line, shows many separate peaks within the contour plot. These peaks may show the strong emission produced by the interaction of the hydrogen clusters with the plasma. Hydrogen clusters may be produced in the beam according to the empirical scaling (Hagena) law of clustering onset, Γ* = kd 0.85 P 0 /T 0 2.29 , here d is the nozzle diameter in μm, P 0 the stagnation pressure in mbar, T 0 the source temperature in K, and k is a constant related to the gas species. If Γ* > 100, clusters will be formed. In present experiment Γ* is about 127

  9. Absolute intensities of supersonic beams

    International Nuclear Information System (INIS)

    Beijerinck, H.C.W.; Habets, A.H.M.; Verster, N.F.

    1977-01-01

    In a molecular beam experiment the center-line intensity I(0) (particles s -1 sterad -1 ) and the flow rate dN/dt (particles s -1 ) of a beam source are important features. To compare the performance of different types of beam sources the peaking factor, kappa, is defined as the ratio kappa=π(I(0)/dN/dt). The factor π is added to normalize to kappa=1 for an effusive source. The ideal peaking factor for the supersonic flow from a nozzle follows from continuum theory. Numerical values of kappa are available. Experimental values of kappa for an argon expansion are presented in this paper, confirming these calculations. The actual center-line intensity of a supersonic beam source with a skimmer is reduced in comparison to this ideal intensity if the skimmer shields part of the virtual source from the detector. Experimental data on the virtual source radius are given enabling one to predict this shielding quantitatively. (Auth.)

  10. Catalyst Architecture for Stable Single Atom Dispersion Enables Site-Specific Spectroscopic and Reactivity Measurements of CO Adsorbed to Pt Atoms, Oxidized Pt Clusters, and Metallic Pt Clusters on TiO2.

    Science.gov (United States)

    DeRita, Leo; Dai, Sheng; Lopez-Zepeda, Kimberly; Pham, Nicholas; Graham, George W; Pan, Xiaoqing; Christopher, Phillip

    2017-10-11

    Oxide-supported precious metal nanoparticles are widely used industrial catalysts. Due to expense and rarity, developing synthetic protocols that reduce precious metal nanoparticle size and stabilize dispersed species is essential. Supported atomically dispersed, single precious metal atoms represent the most efficient metal utilization geometry, although debate regarding the catalytic activity of supported single precious atom species has arisen from difficulty in synthesizing homogeneous and stable single atom dispersions, and a lack of site-specific characterization approaches. We propose a catalyst architecture and characterization approach to overcome these limitations, by depositing ∼1 precious metal atom per support particle and characterizing structures by correlating scanning transmission electron microscopy imaging and CO probe molecule infrared spectroscopy. This is demonstrated for Pt supported on anatase TiO 2 . In these structures, isolated Pt atoms, Pt iso , remain stable through various conditions, and spectroscopic evidence suggests Pt iso species exist in homogeneous local environments. Comparing Pt iso to ∼1 nm preoxidized (Pt ox ) and prereduced (Pt metal ) Pt clusters on TiO 2 , we identify unique spectroscopic signatures of CO bound to each site and find CO adsorption energy is ordered: Pt iso ≪ Pt metal atoms bonded to TiO 2 and that Pt iso exhibits optimal reactivity because every atom is exposed for catalysis and forms an interfacial site with TiO 2 . This approach should be generally useful for studying the behavior of supported precious metal atoms.

  11. [Dynamic study of small metallic clusters]; Estudio Dinamico de Pequenos Agregados Metalicos

    Energy Technology Data Exchange (ETDEWEB)

    Lopez, M.J. [Valladolid Univ. (Spain). Dept. de Fisica Teorica; Jellinek, J. [Argonne National Lab., IL (United States)

    1995-12-31

    We present a brief introduction to computer simulation techniques (particularly to classical molecular dynamics) and their application to the study of the thermodynamic properties of a material system. The basic concepts are illustrated in the study of structural and energetic properties such as the liquid-solid transition and the fragmentation of small clusters of nickel. [Espanol] Presentamos una breve introducci{acute o}n de las t{acute e}cnicas de simulaci{acute o}n por ordenador (en particular de la Din{acute a}mica Molecular cl{acute a}sica) y de su aplicaci{acute o}n al estudio de las propiedades termodin{acute a}micas de un sistema material. Los conceptos b{acute a}sicos se ilustran en el estudio de las propieades estructurales y energ{acute e}ticas, as{acute i} como de la transici{acute o}n de fase s{acute o}lido-l{acute i}quido y de las fragmentaciones de peque{tilde n}os agregados de n{acute i}quel.

  12. Spatial clustering of metal and metalloid mixtures in unregulated water sources on the Navajo Nation - Arizona, New Mexico, and Utah, USA.

    Science.gov (United States)

    Hoover, Joseph H; Coker, Eric; Barney, Yolanda; Shuey, Chris; Lewis, Johnnye

    2018-08-15

    Contaminant mixtures are identified regularly in public and private drinking water supplies throughout the United States; however, the complex and often correlated nature of mixtures makes identification of relevant combinations challenging. This study employed a Bayesian clustering method to identify subgroups of water sources with similar metal and metalloid profiles. Additionally, a spatial scan statistic assessed spatial clustering of these subgroups and a human health metric was applied to investigate potential for human toxicity. These methods were applied to a dataset comprised of metal and metalloid measurements from unregulated water sources located on the Navajo Nation, in the southwest United States. Results indicated distinct subgroups of water sources with similar contaminant profiles and that some of these subgroups were spatially clustered. Several profiles had metal and metalloid concentrations that may have potential for human toxicity including arsenic, uranium, lead, manganese, and selenium. This approach may be useful for identifying mixtures in water sources, spatially evaluating the clusters, and help inform toxicological research investigating mixtures. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

  13. Gaussian free field in the background of correlated random clusters, formed by metallic nanoparticles

    Science.gov (United States)

    Cheraghalizadeh, Jafar; Najafi, Morteza N.; Mohammadzadeh, Hossein

    2018-05-01

    The effect of metallic nano-particles (MNPs) on the electrostatic potential of a disordered 2D dielectric media is considered. The disorder in the media is assumed to be white-noise Coulomb impurities with normal distribution. To realize the correlations between the MNPs we have used the Ising model with an artificial temperature T that controls the number of MNPs as well as their correlations. In the T → 0 limit, one retrieves the Gaussian free field (GFF), and in the finite temperature the problem is equivalent to a GFF in iso-potential islands. The problem is argued to be equivalent to a scale-invariant random surface with some critical exponents which vary with T and correspondingly are correlation-dependent. Two type of observables have been considered: local and global quantities. We have observed that the MNPs soften the random potential and reduce its statistical fluctuations. This softening is observed in the local as well as the geometrical quantities. The correlation function of the electrostatic and its total variance are observed to be logarithmic just like the GFF, i.e. the roughness exponent remains zero for all temperatures, whereas the proportionality constants scale with T - T c . The fractal dimension of iso-potential lines ( D f ), the exponent of the distribution function of the gyration radius ( τ r ), and the loop lengths ( τ l ), and also the exponent of the loop Green function x l change in terms of T - T c in a power-law fashion, with some critical exponents reported in the text. Importantly we have observed that D f ( T) - D f ( T c ) 1/√ ξ( T), in which ξ( T) is the spin correlation length in the Ising model.

  14. Metallic oxide nano-clusters synthesis by ion implantation in high purity Fe10Cr alloy

    International Nuclear Information System (INIS)

    Zheng, Ce

    2015-01-01

    ODS (Oxide Dispersed Strengthened) steels, which are reinforced with metal dispersions of nano-oxides (based on Y, Ti and O elements), are promising materials for future nuclear reactors. The detailed understanding of the mechanisms involved in the precipitation of these nano-oxides would improve manufacturing and mechanical properties of these ODS steels, with a strong economic impact for their industrialization. To experimentally study these mechanisms, an analytical approach by ion implantation is used, to control various parameters of synthesis of these precipitates as the temperature and concentration. This study demonstrated the feasibility of this method and concerned the behaviour of alloys models (based on aluminium oxide) under thermal annealing. High purity Fe-10Cr alloys were implanted with Al and O ions at room temperature. Transmission electron microscopy observations showed that the nano-oxides appear in the Fe-10Cr matrix upon ion implantation at room temperature without subsequent annealing. The mobility of implanted elements is caused by the defects created during ion implantation, allowing the nucleation of these nanoparticles, of a few nm in diameter. These nanoparticles are composed of aluminium and oxygen, and also chromium. The high-resolution experiments show that their crystallographic structure is that of a non-equilibrium compound of aluminium oxide (cubic γ-Al 2 O 3 type). The heat treatment performed after implantation induces the growth of the nano-sized oxides, and a phase change that tends to balance to the equilibrium structure (hexagonal α-Al 2 O 3 type). These results on model alloys are fully applicable to industrial materials: indeed ion implantation reproduces the conditions of milling and heat treatments are at equivalent temperatures to those of thermo-mechanical treatments. A mechanism involving the precipitation of nano-oxide dispersed in ODS alloys is proposed in this manuscript based on the obtained experimental results

  15. Nonlinear stability of supersonic jets

    Science.gov (United States)

    Tiwari, S. N. (Principal Investigator); Bhat, T. R. S. (Principal Investigator)

    1996-01-01

    The stability calculations made for a shock-free supersonic jet using the model based on parabolized stability equations are presented. In this analysis the large scale structures, which play a dominant role in the mixing as well as the noise radiated, are modeled as instability waves. This model takes into consideration non-parallel flow effects and also nonlinear interaction of the instability waves. The stability calculations have been performed for different frequencies and mode numbers over a range of jet operating temperatures. Comparisons are made, where appropriate, with the solutions to Rayleigh's equation (linear, inviscid analysis with the assumption of parallel flow). The comparison of the solutions obtained using the two approaches show very good agreement.

  16. Properties of Supersonic Impinging Jets

    Science.gov (United States)

    Alvi, F. S.; Iyer, K. G.; Ladd, J.

    1999-11-01

    A detailed study examining the behavior of axisymmetric supersonic jets impinging on a ground plane is described. Our objective is to better understand the aeroacoustics governing this complex flowfield which commonly occurs in the vicinity of STOVL aircraft. Flow issuing through a Mach 1.5 C-D and a converging sonic nozzle is examined over a wide parametric range. For some cases a large diameter circular 'lift' plate, with an annular hole through which the jet is issued, is attached at the nozzle exit to simulate a generic airframe. The impinging jet flowfield was examined using Particle Image Velocimetry (PIV), which provides the velocity field for the entire region and shadowgraph visualization techniques. Near-field acoustic, as well as, mean and unsteady pressure measurements on the ground and lift plate surfaces were also obtained. The velocity field data, together with the surface flow measurements have resulted in a much better understanding of this flow from a fundamental standpoint while also identifying critical regions of interest for practical applications. Some of these findings include the presence of a stagnation bubble with recirculating flow; a very high speed (transonic/supersonic) radial wall jet; presence of large, spatially coherent turbulent structures in the primary jet and wall jet and high unsteady loads on the ground plane and lift plates. The results of a companion CFD investigation and its comparison to the experimental data will also be presented. Very good agreement has been found between the computational and experimental results thus providing confidence in the development of computational tools for the study of such flows.

  17. The Gaia-ESO Survey: the present-day radial metallicity distribution of the Galactic disc probed by pre-main-sequence clusters

    Science.gov (United States)

    Spina, L.; Randich, S.; Magrini, L.; Jeffries, R. D.; Friel, E. D.; Sacco, G. G.; Pancino, E.; Bonito, R.; Bravi, L.; Franciosini, E.; Klutsch, A.; Montes, D.; Gilmore, G.; Vallenari, A.; Bensby, T.; Bragaglia, A.; Flaccomio, E.; Koposov, S. E.; Korn, A. J.; Lanzafame, A. C.; Smiljanic, R.; Bayo, A.; Carraro, G.; Casey, A. R.; Costado, M. T.; Damiani, F.; Donati, P.; Frasca, A.; Hourihane, A.; Jofré, P.; Lewis, J.; Lind, K.; Monaco, L.; Morbidelli, L.; Prisinzano, L.; Sousa, S. G.; Worley, C. C.; Zaggia, S.

    2017-05-01

    Context. The radial metallicity distribution in the Galactic thin disc represents a crucial constraint for modelling disc formation and evolution. Open star clusters allow us to derive both the radial metallicity distribution and its evolution over time. Aims: In this paper we perform the first investigation of the present-day radial metallicity distribution based on [Fe/H] determinations in late type members of pre-main-sequence clusters. Because of their youth, these clusters are therefore essential for tracing the current interstellar medium metallicity. Methods: We used the products of the Gaia-ESO Survey analysis of 12 young regions (age ages is not easily explained by the models. Our results reveal a complex interplay of several processes (e.g. star formation activity, initial mass function, supernova yields, gas flows) that controlled the recent evolution of the Milky Way. Based on observations made with the ESO/VLT, at Paranal Observatory, under program 188.B-3002 (The Gaia-ESO Public Spectroscopic Survey).Full Table 1 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/601/A70

  18. Comparison of single-use and reusable metal laryngoscope blades for orotracheal intubation during rapid sequence induction of anesthesia: a multicenter cluster randomized study.

    Science.gov (United States)

    Amour, Julien; Le Manach, Yannick Le; Borel, Marie; Lenfant, François; Nicolas-Robin, Armelle; Carillion, Aude; Ripart, Jacques; Riou, Bruno; Langeron, Olivier

    2010-02-01

    Single-use metal laryngoscope blades are cheaper and carry a lower risk of infection than reusable metal blades. The authors compared single-use and reusable metal blades during rapid sequence induction of anesthesia in a multicenter cluster randomized trial. One thousand seventy-two adult patients undergoing general anesthesia under emergency conditions and requiring rapid sequence induction were randomly assigned on a weekly basis to either single-use or reusable metal blades (cluster randomization). After induction, a 60-s period was allowed to complete intubation. In the case of failed intubation, a second attempt was performed using the opposite type of blade. The primary endpoint was the rate of failed intubation, and the secondary endpoints were the incidence of complications (oxygen desaturation, lung aspiration, and/or oropharynx trauma) and the Cormack and Lehane score. Both groups were similar in their main characteristics, including the risk factors for difficult intubation. The rate of failed intubation was significantly decreased with single-use metal blades at the first attempt compared with reusable blades (2.8 vs. 5.4%, P < 0.05). In addition, the proportion of grades III and IV in Cormack and Lehane score were also significantly decreased with single-use metal blades (6 vs. 10%, P < 0.05). The global complication rate did not reach statistical significance, although the same trend was noted (6.8% vs. 11.5%, P = not significant). An investigator survey and a measure of illumination pointed that illumination might have been responsible for this result. The single-use metal blade was more efficient than a reusable metal blade in rapid sequence induction of anesthesia.

  19. Influence of stacking fault energies on the size distribution and character of defect clusters formed by collision cascades in face-centered cubic metals

    Directory of Open Access Journals (Sweden)

    Y. Yang

    2016-12-01

    Full Text Available Molecular dynamics simulations are performed to evaluate the influence of the stacking fault energy (SFE as a single variable parameter on defect formation by collision cascades in face-centered cubic metals. The simulations are performed for energies of a primary knock-on atom (EPKA up to 50keV at 100K by using six sets of the recently developed embedded atom method–type potentials. Neither the number of residual defects nor their clustering behavior is found to be affected by the SFE, except for the mean size of the vacancy clusters at EPKA=50keV. The mean size increases as the SFE decreases because of the enhanced formation of large vacancy clusters, which prefer to have stacking faults inside them. On the other hand, the ratio of glissile self-interstitial atom (SIA clusters decreases as the SFE increases. At higher SFEs, both the number of Frank loops and number of perfect loops tend to decrease; instead, three-dimensional irregular clusters with higher densities appear, most of which are sessile. The effect of SFE on the number of Frank loops becomes apparent only at a high EPKA of 50keV, where comparably large SIA clusters can be formed with a higher density.

  20. Electronic structure and geometries of small compound metal clusters: Progress report, August 1, 1987-July 31, 1988

    International Nuclear Information System (INIS)

    Jena, P.; Rao, B.K.; Khanna, S.N.

    1988-04-01

    Our research during this reporting period has focused on studying electronic structure and properties of both gas-phase clusters and clusters as models of crystals and defects. We have also concentrated on developing new theoretical techniques that can allow us to study large clusters in a computationally effective manner. Following is a summary of results

  1. Electronic structure and geometries of small compound metal clusters: Progress report, August 1, 1988--July 31, 1989

    International Nuclear Information System (INIS)

    Jena, P.; Rao, B.K.; Khanna, S.N.

    1989-04-01

    Our research during this reporting period has focused on the following two aspects of cluster research. Electronic structure and stability of charged clusters and studies of evolution of magnetic properties with increasing cluster size. Following is a summary of our results

  2. Supersonic turbulent convection, inhomogeneities of chemical composition and the solar neutrino problem

    International Nuclear Information System (INIS)

    Prentice, A.J.R.; Monash Univ., Clayton

    1976-01-01

    A new theory of the evolution of the Sun is presented to account for the present low flux of neutrinos. It is suggested that resistive segregation of grain material during the early stages of star formation, followed by a turbulent phase of planetary formation, may lead to an initial chemically inhomogeneous Sun consisting of a small metal-rich core of mass 0.03 M(Sun) surrounded by a homogeneous, but slightly metal-deficient, radiatively stable envelope. Because of its high Z we propose that the core was highly convectively unstable and a large supersonic turbulent stress was created by the motions of long and needle-like overshooting convective elements. This stress greatly expands the volume of the core causing it to become hotter at the centre but cooler at its edge. The net result is a star of quite low luminosity which consumes its central hydrogen very rapidly, via the CNO cycle, with hardly any burning taking place in the surrounding envelope. After a time tsub(0), comparable with but less than 4.7 x 10 9 yr, we propose that the core burns itself out. The whole star then undergoes a massive structural change with the luminosity suddenly increasing from about 1/2 L(Sun) to close to L(Sun). The net result at solar age is the configuration which has a small burnt-out core, a barely consumed hydrogen-rich envelope, and a greatly reduced neutrino flux of order 1 SNU. Setting tsub(0) = 4.13 x 10 9 yr, our theory provided a natural explanation of the disappearance of the Great Infra-Cambrian Ice Age and mysterious onset of the Gambrian Period, some 570 m. yr ago. It may also, possibly, account for the 'turn-off' gaps in the colour-magnitude diagram of old galactic clusters. (orig.) [de

  3. Density functional investigation of mercury and arsenic adsorption on nitrogen doped graphene decorated with palladium clusters: A promising heavy metal sensing material in farmland

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Chunjiang, E-mail: zhaocj_nercita@163.com [National Engineering Research Center for Information Technology in Agriculture, Beijing 100097 (China); Beijing Research Center for Information Technology in Agriculture, Beijing Academy of Agriculture and Forestry Sciences, Beijing 100097 (China); Key Laboratory for Information Technologies in Agriculture, Ministry of Agriculture, Beijing100097 (China); Wu, Huarui, E-mail: wuhrnercita@163.com [National Engineering Research Center for Information Technology in Agriculture, Beijing 100097 (China); Beijing Research Center for Information Technology in Agriculture, Beijing Academy of Agriculture and Forestry Sciences, Beijing 100097 (China); Key Laboratory for Information Technologies in Agriculture, Ministry of Agriculture, Beijing100097 (China)

    2017-03-31

    Highlights: • PNG can be acted as micro-sensor for monitoring heavy metal in agriculture. • The most favorable adsorption site of Pd atom or cluster on PNG is the vacancy site. • The Pd atom or cluster enhance the reactivity of PNG toward Hg and AsH{sub 3} adsorption. • The efficiency of a sorbent can be tuned by tailoring the ε{sub d} of adsorbed metals. - Abstract: Density functional theory calculations are carried out to study the adsorption of mercury and arsenic on Pd{sub n} (n = 1–6) supported on pyridine-like nitrogen doped graphene (PNG). Owing to the promising sensitivity in trace amounts of atoms or molecules, PNG can be acted as micro-sensor for sensing heavy metals in agriculture soils. Through the analyses of structural and electronic properties of pristine PNG and Pd atom decorated PNG, we find that the most favorable adsorption site for Pd atom is the vacancy site. The analyses of structural and electronic properties reveal that the Pd atom or clusters can enhance the reactivity for Hg and AsH{sub 3} adsorption on PNG. The adsorption ability of Hg on Pd{sub n} decorated PNG is found to be related to the d-band center (ε{sub d}) of the Pd{sub n}, in which the closer ε{sub d} of Pd{sub n} to the Fermi level, the higher adsorption strength for Hg on Pd{sub n} decorated PNG. Moreover, the charge transfer between Pd{sub n} and arsenic may constitute arsenic adsorption on Pd{sub n} decorated PNG. Further design of highly efficient carbon based sorbents for heavy metals removal should be focused on tailoring ε{sub d} of adsorbed metals.

  4. Density functional investigation of mercury and arsenic adsorption on nitrogen doped graphene decorated with palladium clusters: A promising heavy metal sensing material in farmland

    International Nuclear Information System (INIS)

    Zhao, Chunjiang; Wu, Huarui

    2017-01-01

    Highlights: • PNG can be acted as micro-sensor for monitoring heavy metal in agriculture. • The most favorable adsorption site of Pd atom or cluster on PNG is the vacancy site. • The Pd atom or cluster enhance the reactivity of PNG toward Hg and AsH_3 adsorption. • The efficiency of a sorbent can be tuned by tailoring the ε_d of adsorbed metals. - Abstract: Density functional theory calculations are carried out to study the adsorption of mercury and arsenic on Pd_n (n = 1–6) supported on pyridine-like nitrogen doped graphene (PNG). Owing to the promising sensitivity in trace amounts of atoms or molecules, PNG can be acted as micro-sensor for sensing heavy metals in agriculture soils. Through the analyses of structural and electronic properties of pristine PNG and Pd atom decorated PNG, we find that the most favorable adsorption site for Pd atom is the vacancy site. The analyses of structural and electronic properties reveal that the Pd atom or clusters can enhance the reactivity for Hg and AsH_3 adsorption on PNG. The adsorption ability of Hg on Pd_n decorated PNG is found to be related to the d-band center (ε_d) of the Pd_n, in which the closer ε_d of Pd_n to the Fermi level, the higher adsorption strength for Hg on Pd_n decorated PNG. Moreover, the charge transfer between Pd_n and arsenic may constitute arsenic adsorption on Pd_n decorated PNG. Further design of highly efficient carbon based sorbents for heavy metals removal should be focused on tailoring ε_d of adsorbed metals.

  5. Helium clusters as cold, liquid matrix for the laser spectroscopy of silver atoms, silver clusters and C60 fullerenes

    International Nuclear Information System (INIS)

    Hoffmann, K.

    1999-01-01

    One of the main obstacles in the study of gas phase metal clusters is their high temperature. Even cooling in a seeded beam is only of limited used, since the condensation continuously releases energy into the system. As a consequence, spectroscopic studies of free metal clusters typically yield broad structures, which are interpreted as plasma resonances of a free electron gas. An experiment on ionic sodium clusters has shown that low temperatures lead to a narrowing of the absorption bands and the appearance of additional structure, that can not be explained within the free electron model. Thus the need for cold clusters is evident. In principle the deposition of metal clusters into inert matrices eliminates the temperature problem but it can also inflict strong changes on the electronic spectra. Droplets of liquid helium serve as a much more gentle matrix that avoids many of the above problems. In this thesis the new technique of helium droplet spectroscopy is presented as a tool for the study of extremely cold metal clusters. Clusters of silver up to a mass greater than 7000 amu have been produced by pickup of single atoms by a beam of helium droplets. The droplets are formed in a supersonic expansion. The cluster's binding energy is removed by evaporative cooling and the system remains at 0.4 K. The doped droplets are probed by laser spectroscopy with a depletion technique or resonant two photon ionization. We were able to measure the first UV absorption spectrum of metal atoms (silver) inside helium droplets. Another experiment shows that a small fraction of the captured silver atoms resides on the surface of the droplet like alkali atoms. In a two photon process previously unobserved s- and d-Rydberg states of the free silver atom (20 left angle n left angle 80) were excited. The silver atoms, initially embedded in the helium droplets, are found to move to the surface and desorb when excited to the broadened 5p level. This is the first result showing laser

  6. Silent and Efficient Supersonic Bi-Directional Flying Wing

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose a Phase I study for a novel concept of a supersonic bi-directional (SBiDir) flying wing (FW) that has the potential to revolutionize supersonic flight...

  7. 75 FR 8427 - Civil Supersonic Aircraft Panel Discussion

    Science.gov (United States)

    2010-02-24

    ... entitled, ``State of the Art of Supersonics Aircraft Technology--What has progressed in science since 1973... DEPARTMENT OF TRANSPORTATION Federal Aviation Administration Civil Supersonic Aircraft Panel Discussion AGENCY: Federal Aviation Administration (FAA), DOT. ACTION: Notice of meeting participation...

  8. Barrierless growth of precursor-free, ultrafast laser-fragmented noble metal nanoparticles by colloidal atom clusters - A kinetic in situ study.

    Science.gov (United States)

    Jendrzej, Sandra; Gökce, Bilal; Amendola, Vincenzo; Barcikowski, Stephan

    2016-02-01

    Unintended post-synthesis growth of noble metal colloids caused by excess amounts of reactants or highly reactive atom clusters represents a fundamental problem in colloidal chemistry, affecting product stability or purity. Hence, quantified kinetics could allow defining nanoparticle size determination in dependence of the time. Here, we investigate in situ the growth kinetics of ps pulsed laser-fragmented platinum nanoparticles in presence of naked atom clusters in water without any influence of reducing agents or surfactants. The nanoparticle growth is investigated for platinum covering a time scale of minutes to 50days after nanoparticle generation, it is also supplemented by results obtained from gold and palladium. Since a minimum atom cluster concentration is exceeded, a significant growth is determined by time resolved UV/Vis spectroscopy, analytical disc centrifugation, zeta potential measurement and transmission electron microscopy. We suggest a decrease of atom cluster concentration over time, since nanoparticles grow at the expense of atom clusters. The growth mechanism during early phase (<1day) of laser-synthesized colloid is kinetically modeled by rapid barrierless coalescence. The prolonged slow nanoparticle growth is kinetically modeled by a combination of coalescence and Lifshitz-Slyozov-Wagner kinetic for Ostwald ripening, validated experimentally by the temperature dependence of Pt nanoparticle size and growth quenching by Iodide anions. Copyright © 2015. Published by Elsevier Inc.

  9. Comparative study of energy of particles ejected from coulomb explosion of rare gas and metallic clusters irradiated by intense femtosecond laser field

    Science.gov (United States)

    Boucerredj, N.; Beggas, K.

    2016-10-01

    We present our study of high intensity femtosecond laser field interaction with large cluster of Kr and Na (contained 2.103 to 2.107 atoms). When laser intensity is above a critical value, it blows off all of electrons from the cluster and forms a non neutral ion cloud. The irradiation of these clusters by the intense laser field leads to highly excitation energy which can be the source of energetic electrons, electronic emission, highly charge, energetic ions and fragmentation process. During the Coulomb explosion of the resulting highly ionized, high temperature nanoplasma, ions acquire again their energy. It is shown that ultra fast ions are produced. The goal of our study is to investigate in detail a comparative study of the expansion and explosion then the ion energy of metallic and rare gas clusters irradiated by an intense femtosecond laser field. We have found that ions have a kinetic energy up to 105 eV and the Coulomb pressure is little than the hydrodynamic pressure. The Coulomb explosion of a cluster may provide a new high energy ion source.

  10. A fundamental study of the supersonic microjet

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, M. S.; Kim, H. S.; Kim, H. D. [Andong National Univ., Andong (Korea, Republic of)

    2001-07-01

    Microjet flows are often encountered in many industrial applications of micro-electro-mechanical systems as well as in medical engineering fields such as a transdermal drug delivery system for needle-free injection of drugs into the skin. The Reynolds numbers of such microjets are usually several orders of magnitude below those of larger-scale jets. The supersonic microjet physics with these low Reynolds numbers are not yet understood to date. Computational modeling and simulation can provide an effective predictive capability for the major features of the supersonic microjets. In the present study, computations using the axisymmetic, compressible, Navier-Stokes equations are applied to understand the supersonic microjet flow physics. The pressure ratio of the microjets is changed to obtain both the under-and over-expanded flows at the exit of the micronozzle. Sonic and supersonic microjets are simulated and compared with some experimental results available. Based on computational results; two microjets are discussed in terms of total pressure, jet decay and supersonic core length.

  11. A fundamental study of the supersonic microjet

    International Nuclear Information System (INIS)

    Jeong, M. S.; Kim, H. S.; Kim, H. D.

    2001-01-01

    Microjet flows are often encountered in many industrial applications of micro-electro-mechanical systems as well as in medical engineering fields such as a transdermal drug delivery system for needle-free injection of drugs into the skin. The Reynolds numbers of such microjets are usually several orders of magnitude below those of larger-scale jets. The supersonic microjet physics with these low Reynolds numbers are not yet understood to date. Computational modeling and simulation can provide an effective predictive capability for the major features of the supersonic microjets. In the present study, computations using the axisymmetic, compressible, Navier-Stokes equations are applied to understand the supersonic microjet flow physics. The pressure ratio of the microjets is changed to obtain both the under-and over-expanded flows at the exit of the micronozzle. Sonic and supersonic microjets are simulated and compared with some experimental results available. Based on computational results; two microjets are discussed in terms of total pressure, jet decay and supersonic core length

  12. The effect of metal cluster deposition route on structure and photocatalytic activity of mono- and bimetallic nanoparticles supported on TiO{sub 2} by radiolytic method

    Energy Technology Data Exchange (ETDEWEB)

    Klein, Marek [Department of Chemical Technology, Faculty of Chemistry, Gdansk University of Technology, 80-233 Gdansk (Poland); Institute of Fluid-Flow Machinery, Polish Academy of Sciences, 80-231 Gdansk (Poland); Nadolna, Joanna, E-mail: joanna.nadolna@ug.edu.pl [Department of Chemical Technology, Faculty of Chemistry, Gdansk University of Technology, 80-233 Gdansk (Poland); Department of Environmental Technology, University of Gdansk, 80-308 Gdansk (Poland); Gołąbiewska, Anna [Department of Chemical Technology, Faculty of Chemistry, Gdansk University of Technology, 80-233 Gdansk (Poland); Mazierski, Paweł [Department of Environmental Technology, University of Gdansk, 80-308 Gdansk (Poland); Klimczuk, Tomasz [Department of Solid State Physics, Faculty of Applied Physics and Mathematics, Gdansk University of Technology, 80-233 Gdansk (Poland); Remita, Hynd [Laboratoire de Chimie Physique, CNRS-UMR 8000, Université Paris-Sud, Université Paris-Saclay, 91405 Orsay (France); CNRS, Laboratoire de Chimie Physique, UMR 8000, 91405 Orsay (France); Zaleska-Medynska, Adriana [Department of Chemical Technology, Faculty of Chemistry, Gdansk University of Technology, 80-233 Gdansk (Poland); Department of Environmental Technology, University of Gdansk, 80-308 Gdansk (Poland)

    2016-08-15

    Highlights: • Pd-Pt decorated TiO{sub 2} shows the highest activity under visible light among all. • Concurrent addition of metal precursors results in rise of BNPs size and Vis-activity. • Subsequent addition of metal precursors enhances UV–vis stability of modified TiO{sub 2}. • Superoxide radicals are responsible for pollutants degradation over BNPs-TiO{sub 2}. - Abstract: TiO{sub 2} (P25) was modified with small and relatively monodisperse mono- and bimetallic clusters (Ag, Pd, Pt, Ag/Pd, Ag/Pt and Pd/Pt) induced by radiolysis to improve its photocatalytic activity. The as-prepared samples were characterized by X-ray fluorescence spectrometry (XRF), photoluminescence spectrometry (PL), diffuse reflectance spectroscopy (DRS), X-ray powder diffractometry (XRD), scanning transition electron microscopy (STEM) and BET surface area analysis. The effect of metal type (mono- and bimetallic modification) as well as deposition method (simultaneous or subsequent deposition of two metals) on the photocatalytic activity in toluene removal in gas phase under UV–vis irradiation (light-emitting diodes- LEDs) and phenol degradation in liquid phase under visible light irradiation (λ > 420 nm) were investigated. The highest photoactivity under Vis light was observed for TiO{sub 2} co-loaded with platinum (0.1%) and palladium (0.1%) clusters. Simultaneous addition of metal precursors results in formation of larger metal nanoparticles (15–30 nm) on TiO{sub 2} surface and enhances the Vis-induced activity of Ag/Pd-TiO{sub 2} up to four times, while the subsequent metal ions addition results in formation of metal particle size ranging from 4 to 20 nm. Subsequent addition of metal precursors results in formation of BNPs (bimetallic nanoparticle) composites showing higher stability in four cycles of toluene degradation under UV–vis. Obtained results indicated that direct electron transfer from the BNPs to the conduction band of the semiconductor is responsible for

  13. Transonic and supersonic ground effect aerodynamics

    Science.gov (United States)

    Doig, G.

    2014-08-01

    A review of recent and historical work in the field of transonic and supersonic ground effect aerodynamics has been conducted, focussing on applied research on wings and aircraft, present and future ground transportation, projectiles, rocket sleds and other related bodies which travel in close ground proximity in the compressible regime. Methods for ground testing are described and evaluated, noting that wind tunnel testing is best performed with a symmetry model in the absence of a moving ground; sled or rail testing is ultimately preferable, though considerably more expensive. Findings are reported on shock-related ground influence on aerodynamic forces and moments in and accelerating through the transonic regime - where force reversals and the early onset of local supersonic flow is prevalent - as well as more predictable behaviours in fully supersonic to hypersonic ground effect flows.

  14. An evaluation of supersonic STOVL technology

    Science.gov (United States)

    Kidwell, G. H., Jr.; Lampkin, B. A.

    1983-01-01

    The purpose of this paper is to document the status of supersonic STOVL aircraft technology. The major focus is the presentation of summaries of pertinent aspects of supersonic STOVL technology, such as justification for STOVL aircraft, current designs and their recognized areas of uncertainty, recent research programs, current activities, plans, etc. The remainder of the paper is an evaluation of the performance differential between a current supersonic STOVL design and three production (or near production) fighters, one of them the AV-8B. The results indicate that there is not a large range difference between a STOL aircraft and a STOVL aircraft, and that other aspects of performance, such as field performance or combat maneuverability, may more than make up for this decrement.

  15. Formation of transition metal cluster adducts on the surface of single-walled carbon nanotubes: HRTEM studies

    KAUST Repository

    Kalinina, Irina V.; Bekyarova, Elena B.; Wang, Qingxiao; Al-Hadeethi, Yas Fadel; Zhang, Xixiang; Al-Agel, Faisel; Al-Marzouki, Fahad M.; Yaghmour, Saud Jamil; Haddon, Robert C.

    2014-01-01

    We report the formation of chromium clusters on the outer walls of single-walled carbon nanotubes (SWNTs). The clusters were obtained by reacting purified SWNTs with chromium hexacarbonyl in dibutyl ether at 100°C. The functionalized SWNTs were

  16. Influence of clusters in melt on the subsequent glass-formation and crystallization of Fe–Si–B metallic glasses

    Directory of Open Access Journals (Sweden)

    Shaoxiong Zhou

    2015-04-01

    Full Text Available The liquid structure of seven representative Fe–Si–B alloys has been investigated by ab initio molecular dynamics simulation focusing on the role of clusters in terms of glass-forming ability (GFA and crystallization. It is demonstrated that the type of primary phase precipitated from amorphous state under heat treatment is determined by the relative fraction and role of various clusters in melt. The alloy melt shows higher stability and resultantly larger GFA when there is no dominant cluster or several clusters coexist, which explains the different GFAs and crystallization processes at various ratios of Si and B in the Fe–Si–B system. The close correlation among clusters, crystalline phase and GFA is also studied.

  17. Vortex breakdown in a supersonic jet

    Science.gov (United States)

    Cutler, Andrew D.; Levey, Brian S.

    1991-01-01

    This paper reports a study of a vortex breakdown in a supersonic jet. A supersonic vortical jets were created by tangential injection and acceleration through a convergent-divergent nozzle. Vortex circulation was varied, and the nature of the flow in vortical jets was investigated using several types of flow visualization, including focusing schlieren and imaging of Rayleigh scattering from a laser light sheet. Results show that the vortical jet mixed much more rapidly with the ambient air than a comparable straight jet. When overexpanded, the vortical jet exhibited considerable unsteadiness and showed signs of vortex breakdown.

  18. Supersonic cruise vehicle research/business jet

    Science.gov (United States)

    Kelly, R. J.

    1980-01-01

    A comparison study of a GE-21 variable propulsion system with a Multimode Integrated Propulsion System (MMIPS) was conducted while installed in small M = 2.7 supersonic cruise vehicles with military and business jet possibilities. The 1984 state of the art vehicles were sized to the same transatlantic range, takeoff distance, and sideline noise. The results indicate the MMIPS would result in a heavier vehicle with better subsonic cruise performance. The MMIPS arrangement with one fan engine and two satellite turbojet engines would not be appropriate for a small supersonic business jet because of design integration penalties and lack of redundancy.

  19. THE EFFECT OF SECOND-GENERATION POPULATIONS ON THE INTEGRATED COLORS OF METAL-RICH GLOBULAR CLUSTERS IN EARLY-TYPE GALAXIES

    International Nuclear Information System (INIS)

    Chung, Chul; Lee, Sang-Yoon; Yoon, Suk-Jin; Lee, Young-Wook

    2013-01-01

    The mean color of globular clusters (GCs) in early-type galaxies is in general bluer than the integrated color of halo field stars in host galaxies. Metal-rich GCs often appear more associated with field stars than metal-poor GCs, yet show bluer colors than their host galaxy light. Motivated by the discovery of multiple stellar populations in Milky Way GCs, we present a new scenario in which the presence of second-generation (SG) stars in GCs is responsible for the color discrepancy between metal-rich GCs and field stars. The model assumes that the SG populations have an enhanced helium abundance as evidenced by observations, and it gives a good explanation of the bluer optical colors of metal-rich GCs than field stars as well as strong Balmer lines and blue UV colors of metal-rich GCs. Ours may be complementary to the recent scenario suggesting the difference in stellar mass functions (MFs) as an origin for the GC-to-star color offset. A quantitative comparison is given between the SG and MF models.

  20. Large stability and high catalytic activities of sub-nm metal (0) clusters: implications into the nucleation and growth theory.

    Science.gov (United States)

    Piñeiro, Yolanda; Buceta, David; Calvo, Javier; Huseyinova, Shahana; Cuerva, Miguel; Pérez, Ángel; Domínguez, Blanca; López-Quintela, M Arturo

    2015-07-01

    Clusters are stable catalytic species, which are produced during the synthesis of nanoparticles (NPs). Their existence contradicts the thermodynamic principles used to explain the formation of NPs by the classical nucleation and growth theories (NGTs). Using chemical and electrochemical methods we will show that depending on the experimental conditions one can produce either Ag clusters or Ag NPs. Moreover, using already prepared Ag clusters one can observe the disappearance of the usual induction period observed for the kinetics of NP formation, indicating that clusters catalyze the formation of NPs. Taking these data together with some previous examples of cluster-catalyzed anisotropic growth, we derived a qualitative approach to include the catalytic activities of clusters into the formation of NPs, which is incorporated into the NGT. Some qualitative conclusions about the main experimental parameters, which affect the formation of clusters versus NPs, as well as the catalytic mechanism versus the non-catalytic one, are also described. Copyright © 2015 Elsevier Inc. All rights reserved.

  1. COMMERCIAL SUPERSONIC TRANSPORT PROGRAM. PHASE II-C REPORT. HIGH STRENGTH STEEL EVALUATION FOR SUPERSONIC AIRCRAFT.

    Science.gov (United States)

    JET TRANSPORT AIRCRAFT, *AIRFRAMES, SUPERSONIC AIRCRAFT, STEEL , STRUCTURAL PROPERTIES, FRACTURE(MECHANICS), FATIGUE(MECHANICS), STRESS CORROSION...MICROPHOTOGRAPHY, HIGH TEMPERATURE, NICKEL ALLOYS, COBALT ALLOYS, CARBON, BAINITE , COMMERCIAL AIRCRAFT.

  2. Quantum-Size Dependence of the Energy for Vacancy Formation in Charged Small Metal Clusters. Drop Model

    Science.gov (United States)

    Pogosov, V. V.; Reva, V. I.

    2018-04-01

    Self-consistent computations of the monovacancy formation energy are performed for Na N , Mg N , and Al N (12 < N ≤ 168) spherical clusters in the drop model for stable jelly. Scenarios of the Schottky vacancy formation and "bubble vacancy blowing" are considered. It is shown that the asymptotic behavior of the size dependences of the energy for the vacancy formation by these two mechanisms is different and the difference between the characteristics of a charged and neutral cluster is entirely determined by the difference between the ionization potentials of clusters and the energies of electron attachment to them.

  3. Reprint of: Negative carbon cluster ion beams: New evidence for the special nature of C60

    Science.gov (United States)

    Liu, Y.; O'brien, S. C.; Zhang, Q.; Heath, J. R.; Tittel, F. K.; Curl, R. F.; Kroto, H. W.; Smalley, R. E.

    2013-12-01

    Cold carbon cluster negative ions are formed by supersonic expansion of a plasma created at the nozzle of a supersonic cluster beam source by an excimer laser pulse. The observed distribution of mass peaks for the Cn- ions for n > 40 demonstrates that the evidence previously given for the special stability of neutral C60 and the existence of spheroidal carbon shells cannot be an artifact of the ionization conditions.

  4. Silver-induced reconstruction of an adeninate-based metal-organic framework for encapsulation of luminescent adenine-stabilized silver clusters.

    Science.gov (United States)

    Jonckheere, Dries; Coutino-Gonzalez, Eduardo; Baekelant, Wouter; Bueken, Bart; Reinsch, Helge; Stassen, Ivo; Fenwick, Oliver; Richard, Fanny; Samorì, Paolo; Ameloot, Rob; Hofkens, Johan; Roeffaers, Maarten B J; De Vos, Dirk E

    2016-05-21

    Bright luminescent silver-adenine species were successfully stabilized in the pores of the MOF-69A (zinc biphenyldicarboxylate) metal-organic framework, starting from the intrinsically blue luminescent bio-MOF-1 (zinc adeninate 4,4'-biphenyldicarboxylate). Bio-MOF-1 is transformed to the MOF-69A framework by selectively leaching structural adenine linkers from the original framework using silver nitrate solutions in aqueous ethanol. Simultaneously, bright blue-green luminescent silver-adenine clusters are formed inside the pores of the recrystallized MOF-69A matrix in high local concentrations. The structural transition and concurrent changes in optical properties were characterized using a range of structural, physicochemical and spectroscopic techniques (steady-state and time-resolved luminescence, quantum yield determination, fluorescence microscopy). The presented results open new avenues for exploring the use of MOFs containing luminescent silver clusters for solid-state lighting and sensor applications.

  5. A supersonic fan equipped variable cycle engine for a Mach 2.7 supersonic transport

    Science.gov (United States)

    Tavares, T. S.

    1985-01-01

    The concept of a variable cycle turbofan engine with an axially supersonic fan stage as powerplant for a Mach 2.7 supersonic transport was evaluated. Quantitative cycle analysis was used to assess the effects of the fan inlet and blading efficiencies on engine performance. Thrust levels predicted by cycle analysis are shown to match the thrust requirements of a representative aircraft. Fan inlet geometry is discussed and it is shown that a fixed geometry conical spike will provide sufficient airflow throughout the operating regime. The supersonic fan considered consists of a single stage comprising a rotor and stator. The concept is similar in principle to a supersonic compressor, but differs by having a stator which removes swirl from the flow without producing a net rise in static pressure. Operating conditions peculiar to the axially supersonic fan are discussed. Geometry of rotor and stator cascades are presented which utilize a supersonic vortex flow distribution. Results of a 2-D CFD flow analysis of these cascades are presented. A simple estimate of passage losses was made using empirical methods.

  6. Supersonic flaw detection device for nozzle

    International Nuclear Information System (INIS)

    Hata, Moriki.

    1996-01-01

    In a supersonic flaw detection device to be attached to a body surface of a reactor pressure vessel for automatically detecting flaws of a welded portion of a horizontally connected nozzle by using supersonic waves, a running vehicle automatically running along a circumferential direction of the nozzle comprises a supersonic flaw detection means for detecting flaws of the welded portion of the nozzle by using supersonic waves, and an inclination angle sensor for detecting the inclination angle of the running vehicle relative to the central axis of the nozzle. The running distance of the vehicle running along the circumference of the nozzle, namely, the position of the running vehicle from a reference point of the nozzle can be detected accurately by dividing the distance around the nozzle by the inclination angle detected by the inclination angle sensor. Accordingly, disadvantages in the prior art, for example, that the detected values obtained by using an encoder are changed by slipping or idle running of the magnet wheels are eliminated, and accurate flaw detection can be conducted. In addition, an operation of visually adjusting the reference point for the device can be eliminated. An operator's exposure dose can be reduced. (N.H.)

  7. Study of Pressure Oscillations in Supersonic Parachute

    Science.gov (United States)

    Dahal, Nimesh; Fukiba, Katsuyoshi; Mizuta, Kazuki; Maru, Yusuke

    2018-04-01

    Supersonic parachutes are a critical element of planetary mission whose simple structure, light-weight characteristics together with high ratio of aerodynamic drag makes them the most suitable aerodynamic decelerators. The use of parachute in supersonic flow produces complex shock/shock and wake/shock interaction giving rise to dynamic pressure oscillations. The study of supersonic parachute is difficult, because parachute has very flexible structure which makes obtaining experimental pressure data difficult. In this study, a supersonic wind tunnel test using two rigid bodies is done. The wind tunnel test was done at Mach number 3 by varying the distance between the front and rear objects, and the distance of a bundle point which divides suspension lines and a riser. The analysis of Schlieren movies revealed shock wave oscillation which was repetitive and had large pressure variation. The pressure variation differed in each case of change in distance between the front and rear objects, and the change in distance between riser and the rear object. The causes of pressure oscillation are: interaction of wake caused by front object with the shock wave, fundamental harmonic vibration of suspension lines, interference between shock waves, and the boundary layer of suspension lines.

  8. Three-dimensional supersonic vortex breakdown

    Science.gov (United States)

    Kandil, Osama A.; Kandil, Hamdy A.; Liu, C. H.

    1993-01-01

    Three-dimensional supersonic vortex-breakdown problems in bound and unbound domains are solved. The solutions are obtained using the time-accurate integration of the unsteady, compressible, full Navier-Stokes (NS) equations. The computational scheme is an implicit, upwind, flux-difference splitting, finite-volume scheme. Two vortex-breakdown applications are considered in the present paper. The first is for a supersonic swirling jet which is issued from a nozzle into a supersonic uniform flow at a lower Mach number than that of the swirling jet. The second is for a supersonic swirling flow in a configured circular duct. In the first application, an extensive study of the effects of grid fineness, shape and grid-point distribution on the vortex breakdown is presented. Four grids are used in this study and they show a substantial dependence of the breakdown bubble and shock wave on the grid used. In the second application, the bubble-type and helix-type vortex breakdown have been captured.

  9. An Automated DAKOTA and VULCAN-CFD Framework with Application to Supersonic Facility Nozzle Flowpath Optimization

    Science.gov (United States)

    Axdahl, Erik L.

    2015-01-01

    Removing human interaction from design processes by using automation may lead to gains in both productivity and design precision. This memorandum describes efforts to incorporate high fidelity numerical analysis tools into an automated framework and applying that framework to applications of practical interest. The purpose of this effort was to integrate VULCAN-CFD into an automated, DAKOTA-enabled framework with a proof-of-concept application being the optimization of supersonic test facility nozzles. It was shown that the optimization framework could be deployed on a high performance computing cluster with the flow of information handled effectively to guide the optimization process. Furthermore, the application of the framework to supersonic test facility nozzle flowpath design and optimization was demonstrated using multiple optimization algorithms.

  10. Study on the Impact Characteristics of Coherent Supersonic Jet and Conventional Supersonic Jet in EAF Steelmaking Process

    Science.gov (United States)

    Wei, Guangsheng; Zhu, Rong; Cheng, Ting; Dong, Kai; Yang, Lingzhi; Wu, Xuetao

    2018-02-01

    Supersonic oxygen-supplying technologies, including the coherent supersonic jet and the conventional supersonic jet, are now widely applied in electric arc furnace steelmaking processes to increase the bath stirring, reaction rates, and energy efficiency. However, there has been limited research on the impact characteristics of the two supersonic jets. In the present study, by integrating theoretical modeling and numerical simulations, a hybrid model was developed and modified to calculate the penetration depth and impact zone volume of the coherent and conventional supersonic jets. The computational fluid dynamics results were validated against water model experiments. The results show that the lance height has significant influence on the jet penetration depth and jet impact zone volume. The penetration depth decreases with increasing lance height, whereas the jet impact zone volume initially increases and then decreases with increasing lance height. In addition, the penetration depth and impact zone volume of the coherent supersonic jet are larger than those of the conventional supersonic jet at the same lance height, which illustrates the advantages of the coherent supersonic jet in delivering great amounts of oxygen to liquid melt with a better stirring effect compared to the conventional supersonic jet. A newly defined parameter, the k value, reflects the velocity attenuation and the potential core length of the main supersonic jet. Finally, a hybrid model and its modifications can well predict the penetration depth and impact zone volume of the coherent and conventional supersonic jets.

  11. THE OLD, SUPER-METAL-RICH OPEN CLUSTER, NGC 6791—ELEMENTAL ABUNDANCES IN TURN-OFF STARS FROM KECK/HIRES SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Merchant Boesgaard, Ann; Lum, Michael G. [Institute for Astronomy, University of Hawai' i at Manoa, 2680 Woodlawn Drive, Honolulu, HI 96822 (United States); Deliyannis, Constantine P., E-mail: boes@ifa.hawaii.edu, E-mail: mikelum@ifa.hawaii.edu, E-mail: cdeliyan@indiana.edu [Department of Astronomy, Indiana University 727 East 3rd Street, Swain Hall West 319, Bloomington, IN 47405-7105 (United States)

    2015-02-01

    The study of star clusters has advanced our understanding of stellar evolution, Galactic chemical evolution, and nucleosynthesis. Here we investigate the composition of turn-off stars in the intriguing open cluster, NGC 6791, which is old, but super-metal-rich with high-resolution (R = 46,000) Keck/HIRES spectra. We find [Fe/H] = +0.30 ± 0.02 from measurements of some 40 unblended, unsaturated lines of both Fe I and Fe II in eight turn-off stars. Our O abundances come from the O I triplet near 7774 Å and we perform a differential analysis relative to the Sun from our Lunar spectrum also obtained with Keck/HIRES. The O results are corrected for small nLTE effects. We find consistent ratios of [O/Fe]{sub n} with a mean of –0.06 ± 0.02. This is low with respect to field stars that are also both old and metal-rich and continue the trend of decreasing [O/Fe] with increasing [Fe/H]. The small range in our oxygen abundances is consistent with a single population of stars. Our results for the alpha elements [Mg/Fe], [Si/Fe], [Ca/Fe], and [Ti/Fe] are near solar and compare well with those of the old, metal-rich field stars. The two Fe-peak elements, Cr and Ni, are consistent with Fe. These turn-off-star abundances provide benchmark abundances to investigate whether there are any observable abundance differences with the giants that might arise from nuclear-burning and dredge-up processes. Determinations of upper limits were found for Li by spectrum synthesis and are consistent with the upper limits in similar stars in the relatively old, super-metal-rich cluster NGC 6253. Our results support the prediction from standard theory that higher-metallicity stars deplete more Li. Probably no stars in NGC 6791 have retained their initial Li.

  12. The role of electron localization in the atomic structure of transition-metal 13-atom clusters: the example of Co13, Rh13, and Hf13.

    Science.gov (United States)

    Piotrowski, Maurício J; Piquini, Paulo; Cândido, Ladir; Da Silva, Juarez L F

    2011-10-14

    The crystalline structure of transition-metals (TM) has been widely known for several decades, however, our knowledge on the atomic structure of TM clusters is still far from satisfactory, which compromises an atomistic understanding of the reactivity of TM clusters. For example, almost all density functional theory (DFT) calculations for TM clusters have been based on local (local density approximation--LDA) and semilocal (generalized gradient approximation--GGA) exchange-correlation functionals, however, it is well known that plain DFT fails to correct the self-interaction error, which affects the properties of several systems. To improve our basic understanding of the atomic and electronic properties of TM clusters, we report a DFT study within two nonlocal functionals, namely, the hybrid HSE (Heyd, Scuseria, and Ernzerhof) and GGA+U functionals, of the structural and electronic properties of the Co(13), Rh(13), and Hf(13) clusters. For Co(13) and Rh(13), we found that improved exchange-correlation functionals decrease the stability of open structures such as the hexagonal bilayer (HBL) and double simple-cubic (DSC) compared with the compact icosahedron (ICO) structure, however, DFT-GGA, DFT-GGA+U, and DFT-HSE yield very similar results for Hf(13). Thus, our results suggest that the DSC structure obtained by several plain DFT calculations for Rh(13) can be improved by the use of improved functionals. Using the sd hybridization analysis, we found that a strong hybridization favors compact structures, and hence, a correct description of the sd hybridization is crucial for the relative energy stability. For example, the sd hybridization decreases for HBL and DSC and increases for ICO in the case of Co(13) and Rh(13), while for Hf(13), the sd hybridization decreases for all configurations, and hence, it does not affect the relative stability among open and compact configurations.

  13. Arrow-wing supersonic cruise aircraft structural design concepts evaluation. Volume 2: Sections 7 through 11

    Science.gov (United States)

    Sakata, I. F.; Davis, G. W.

    1975-01-01

    The materials and advanced producibility methods that offer potential structural mass savings in the design of the primary structure for a supersonic cruise aircraft are identified and reported. A summary of the materials and fabrication techniques selected for this analytical effort is presented. Both metallic and composite material systems were selected for application to a near-term start-of-design technology aircraft. Selective reinforcement of the basic metallic structure was considered as the appropriate level of composite application for the near-term design.

  14. A semiempirical self-consistent CNDO/2M scheme for calculation of clusters simulating active sites on transition metal oxides

    Energy Technology Data Exchange (ETDEWEB)

    Korsunov, V A; Chuvylkin, N D; Zhidomirov, G M; Kazanskii, V B

    1978-09-01

    The developed CNDO/2M scheme, which allows for the presence of up to five different ''end quasi-atoms'' in a cluster, was implemented in a FORTRAN program and tested in calculation of ScO, ScF, and MnO/sub 4/- systems and of model clusters HOX(OH)/sub 3/ and HOXO/sub 3/ for X = Si and Ti. The calculation results showed that the CNDO/2M scheme is well-suited for qualitative quantum-chemical analysis of intermediate para- and diamagnetic oxygen containing complexes involved in heterogeneous processes catalyzed by TM oxides.

  15. THE SUPERNOVA DELAY TIME DISTRIBUTION IN GALAXY CLUSTERS AND IMPLICATIONS FOR TYPE-Ia PROGENITORS AND METAL ENRICHMENT

    International Nuclear Information System (INIS)

    Maoz, Dan; Sharon, Keren; Avishay Gal-Yam

    2010-01-01

    Knowledge of the supernova (SN) delay time distribution (DTD)-the SN rate versus time that would follow a hypothetical brief burst of star formation-can shed light on SN progenitors and physics, as well as on the timescales of chemical enrichment in different environments. We compile recent measurements of the Type-Ia SN (SN Ia) rate in galaxy clusters at redshifts from z = 0 out to z = 1.45, just 2 Gyr after cluster star formation at z ∼ 3. We review the plausible range for the observed total iron-to-stellar mass ratio in clusters, based on the latest data and analyses, and use it to constrain the time-integrated number of SN Ia events in clusters. With these data, we recover the DTD of SNe Ia in cluster environments. The DTD is sharply peaked at the shortest time-delay interval we probe, 0Gyr -1.2±0.3 from t = 400 Myr to a Hubble time can satisfy both constraints. Shallower power laws such as t -1/2 cannot, assuming a single DTD, and a single star formation burst (either brief or extended) at high z. This implies that 50%-85% of SNe Ia explode within 1 Gyr of star formation. DTDs from double-degenerate (DD) models, which generically have ∼t -1 shapes over a wide range of timescales, match the data, but only if their predictions are scaled up by factors of 5-10. Single-degenerate (SD) DTDs always give poor fits to the data, due to a lack of delayed SNe and overall low numbers of SNe. The observations can also be reproduced with a combination of two SN Ia populations-a prompt SD population of SNe Ia that explodes within a few Gyr of star formation, and produces about 60% of the iron mass in clusters, and a DD population that contributes the events seen at z < 1.5. An alternative scenario of a single, prompt, SN Ia population, but a composite star formation history in clusters, consisting of a burst at high z, followed by a constant star formation rate, can reproduce the SN rates, but is at odds with direct measurements of star formation in clusters at 0 < z

  16. Diffusion of two-dimensional epitaxial clusters on metal (100) surfaces: Facile versus nucleation-mediated behavior and their merging for larger sizes

    Science.gov (United States)

    Lai, King C.; Liu, Da-Jiang; Evans, James W.

    2017-12-01

    For diffusion of two-dimensional homoepitaxial clusters of N atoms on metal (100) surfaces mediated by edge atom hopping, macroscale continuum theory suggests that the diffusion coefficient scales like DN˜ N-β with β =3 /2 . However, we find quite different and diverse behavior in multiple size regimes. These include: (i) facile diffusion for small sizes N mediated diffusion with small β 2 for N =Np+1 and Np+2 also for moderate sizes 9 ≤N ≤O (102) ; (iv) merging of the above distinct branches and subsequent anomalous scaling with 1 ≲β analysis must account for a strong enhancement of diffusivity for short time increments due to back correlation in the cluster motion. Further understanding of this enhancement, of anomalous size scaling behavior, and of the merging of various branches, is facilitated by combinatorial analysis of the number of the ground-state and low-lying excited state cluster configurations, and also of kink populations.

  17. Hubble Space Telescope-NICMOS Observations of M31'S Metal-Rich Globular Clusters and Their Surrounding Fields. I. Techniques

    Science.gov (United States)

    Stephens, Andrew W.; Frogel, Jay A.; Freedman, Wendy; Gallart, Carme; Jablonka, Pascale; Ortolani, Sergio; Renzini, Alvio; Rich, R. Michael; Davies, Roger

    2001-05-01

    Astronomers are always anxious to push their observations to the limit-basing results on objects at the detection threshold, spectral features barely stronger than the noise, or photometry in very crowded regions. In this paper we present a careful analysis of photometry in crowded regions and show how image blending affects the results and interpretation of such data. Although this analysis is specifically for our NICMOS observations in M31, the techniques we develop can be applied to any imaging data taken in crowded fields; we show how the effects of image blending will limit even the Next Generation Space Telescope. We have obtained HST-NICMOS observations of five of M31's most metal-rich globular clusters. These data allow photometry of individual stars in the clusters and their surrounding fields. However, to achieve our goals-obtain accurate luminosity functions to compare with their Galactic counterparts, determine metallicities from the slope of the giant branch, identify long-period variables, and estimate ages from the AGB tip luminosity-we must be able to disentangle the true properties of the population from the observational effects associated with measurements made in very crowded fields. We thus use three different techniques to analyze the effects of crowding on our data, including the insertion of artificial stars (traditional completeness tests) and the creation of completely artificial clusters. These computer simulations are used to derive threshold- and critical-blending radii for each cluster, which determine how close to the cluster center reliable photometry can be achieved. The simulations also allow us to quantify and correct for the effects of blending on the slope and width of the RGB at different surface brightness levels. We then use these results to estimate the limits blending will place on future space-based observations. Based on observations with the NASA/ESA Hubble Space Telescope obtained at the Space Telescope Science

  18. A second-generation supersonic transport

    Science.gov (United States)

    Humphrey, W.; Grayson, G.; Gump, J.; Hutko, G.; Kubicko, R.; Obrien, J.; Orndorff, R.; Oscher, R.; Polster, M.; Ulrich, C.

    1989-01-01

    Ever since the advent of commercial flight vehicles, one goal of designers has been to develop aircraft that can fly faster and carry more passengers than before. After the development of practical supersonic military aircraft, this desire was naturally manifested in a search for a practical supersonic commercial aircraft. The first and, to date, only supersonic civil transport is the Concorde, manufactured by a consortium of British and French aerospace companies. Unfortunately, due to a number of factors, including low passenger capacity and limited range, the Concorde has not been an economic success. It is for this reason that there is considerable interest in developing a design for a supersonic civil transport that addresses some of the inadequacies of the Concorde. For the design of such an aircraft to be feasible in the near term, certain guidelines must be established at the outset. Based upon the experience with the Concorde, whose 100-passenger capacity is not large enough for profitable operation, a minimum capacity of 250 passengers is desired. Second, to date, because of the limited range of the Concorde, supersonic commercial flight has been restricted to trans-Atlantic routes. In order to broaden the potential market, any new design must have the capability of trans-Pacific flight. A summary of the potential markets involved is presented. Also, because of both the cost and complexity involved with actively cooling an entire aircraft, an additional design constraint is that the aircraft as a whole be passively cooled. One additional design constraint is somewhat less quantitative in nature but of great importance nonetheless. Any time a new design is attempted, the tendency is to assume great strides in technology that serve as the basis for actual realization of the design. While it is not always possible to avoid this dependence on 'enabling technology,' since this design is desired for the near term, it is prudent, wherever possible, to rely on

  19. From linking of metal-oxide building blocks in a dynamic library to giant clusters with unique properties and towards adaptive chemistry.

    Science.gov (United States)

    Müller, Achim; Gouzerh, Pierre

    2012-11-21

    Following Nature's lessons, today chemists can cross the boundary of the small molecule world to construct multifunctional and highly complex molecular nano-objects up to protein size and even cell-like nanosystems showing responsive sensing. Impressive examples emerge from studies of the solutions of some oxoanions of the early transition metals especially under reducing conditions which enable the controlled linking of metal-oxide building blocks. The latter are available from constitutional dynamic libraries, thus providing the option to generate multifunctional unique nanoscale molecular systems with exquisite architectures, which even opens the way towards adaptive and evolutive (Darwinian) chemistry. The present review presents the first comprehensive report of current knowledge (including synthesis aspects not discussed before) regarding the related giant metal-oxide clusters mainly of the type {Mo(57)M'(6)} (M' = Fe(III), V(IV)) (torus structure), {M(72)M'(30)} (M = Mo, M' = V(IV), Cr(III), Fe(III), Mo(V)), {M(72)Mo(60)} (M = Mo, W) (Keplerates), {Mo(154)}, {Mo(176)}, {Mo(248)} ("big wheels"), and {Mo(368)} ("blue lemon") - all having the important transferable pentagonal {(M)M(5)} groups in common. These discoveries expanded the frontiers of inorganic chemistry to the mesoscopic world, while there is probably no collection of discrete inorganic compounds which offers such a versatile chemistry and the option to study new phenomena of interdisciplinary interest. The variety of different properties of the sphere- and wheel-type metal-oxide-based clusters can directly be related to their unique architectures: The spherical Keplerate-type capsules having 20 crown-ether-type pores and tunable internal functionalities allow the investigation of confined matter as well as that of sphere-surface-supramolecular and encapsulation chemistry - including related new aspects of the biologically important hydrophobic effects - but also of nanoscale ion transport and

  20. Clustering of near clusters versus cluster compactness

    International Nuclear Information System (INIS)

    Yu Gao; Yipeng Jing

    1989-01-01

    The clustering properties of near Zwicky clusters are studied by using the two-point angular correlation function. The angular correlation functions for compact and medium compact clusters, for open clusters, and for all near Zwicky clusters are estimated. The results show much stronger clustering for compact and medium compact clusters than for open clusters, and that open clusters have nearly the same clustering strength as galaxies. A detailed study of the compactness-dependence of correlation function strength is worth investigating. (author)

  1. Diffusion of two-dimensional epitaxial clusters on metal (100) surfaces: Facile versus nucleation-mediated behavior and their merging for larger sizes

    International Nuclear Information System (INIS)

    Lai, King C.; Liu, Da-Jiang; Evans, James W.

    2017-01-01

    For diffusion of two-dimensional homoepitaxial clusters of N atoms on metal(100) surfaces mediated by edge atom hopping, macroscale continuum theory suggests that the diffusion coefficient scales like DN ~ N -β with β = 3/2. However, we find quite different and diverse behavior in multiple size regimes. These include: (i) facile diffusion for small sizes N < 9; (ii) slow nucleation-mediated diffusion with small β < 1 for “perfect” sizes N = N p = L 2 or L(L+1), for L = 3, 4,… having unique ground state shapes, for moderate sizes 9 ≤ N ≤ O(10 2 ); the same also applies for N = N p +3, N p + 4,… (iii) facile diffusion but with large β > 2 for N = Np + 1 and N p + 2 also for moderate sizes 9 ≤ N ≤ O(10 2 ); (iv) merging of the above distinct branches and subsequent anomalous scaling with 1 ≲ β < 3/2, reflecting the quasi-facetted structure of clusters, for larger N = O(10 2 ) to N = O(10 3 ); and (v) classic scaling with β = 3/2 for very large N = O(103) and above. The specified size ranges apply for typical model parameters. We focus on the moderate size regime where show that diffusivity cycles quasi-periodically from the slowest branch for N p + 3 (not Np) to the fastest branch for Np + 1. Behavior is quantified by Kinetic Monte Carlo simulation of an appropriate stochastic lattice-gas model. However, precise analysis must account for a strong enhancement of diffusivity for short time increments due to back-correlation in the cluster motion. Further understanding of this enhancement, of anomalous size scaling behavior, and of the merging of various branches, is facilitated by combinatorial analysis of the number of the ground state and low-lying excited state cluster configurations, and also of kink populations.

  2. Supersonic expansion of argon into vacuum

    Energy Technology Data Exchange (ETDEWEB)

    Habets, A H.M.

    1977-01-21

    A theoretical description of a free supersonic expansion process is given. Three distinct regions in the expansion are discussed, namely the continuum region, the gradual transition to the collisionless regime, and the free-molecular-flow stage. Important topics are the peaking-factor formalism, the thermal-conduction model, and the virtual-source formalism. The formation of the molecular beam from the expansion and condensation phenomena occurring in the expanding gas are discussed. The molecular beam machine used in the measurements is described and special attention is given to the cryopumps used in the supersonic sources as well as to the time-of-flight analysis of the molecular beam velocity distributions. Finally, the processing of experimental data is discussed, particularly the least-squares determination of best-fit representations of the measurements.

  3. Li/Li2 supersonic nozzle beam

    International Nuclear Information System (INIS)

    Wu, C.Y.R.; Crooks, J.B.; Yang, S.C.; Way, K.R.; Stwalley, W.C.

    1977-01-01

    The characterization of a lithium supersonic nozzle beam was made using spectroscopic techniques. It is found that at a stagnation pressure of 5.3 kPa (40 torr) and a nozzle throat diameter of 0.4 mm the ground state vibrational population of Li 2 can be described by a Boltzmann distribution with T/sub v/ = 195 +- 30 0 K. The rotational temperature is found to be T/sub r/ = 70 +- 20 0 K by band shape analysis. Measurements by quadrupole mass spectrometer indicates that approximately 10 mole per cent Li 2 dimers are formed at an oven body temperature of 1370 0 K n the supersonic nozzle expansion. This measured mole fraction is in good agreement with the existing dimerization theory

  4. Supersonic expansion of argon into vacuum

    International Nuclear Information System (INIS)

    Habets, A.H.M.

    1977-01-01

    A theoretical description of a free supersonic expansion process is given. Three distinct regions in the expansion are discussed, namely the continuum region, the gradual transition to the collisionless regime, and the free-molecular-flow stage. Important topics are the peaking-factor formalism, the thermal-conduction model, and the virtual-source formalism. The formation of the molecular beam from the expansion and condensation phenomena occurring in the expanding gas are discussed. The molecular beam machine used in the measurements is described and special attention is given to the cryopumps used in the supersonic sources as well as to the time-of-flight analysis of the molecular beam velocity distributions. Finally, the processing of experimental data is discussed, particularly the least-squares determination of best-fit representations of the measurements

  5. Reactions of metal ions and their clusters in the gas phase using laser ionization: ion cyclotron resonance spectroscopy

    International Nuclear Information System (INIS)

    Freiser, B.S.

    1981-04-01

    Two subjects are discussed in this report: advances in proposed studies on metal ion chemistry and expansion of laboratory facilities. The development of a combined pulsed laser source-ion cyclotron resonance spectrometer has proven to be a convenient and powerful method for generating metal ions and for studying their subsequent chemistry in the gas phase. The main emphasis of this research has been on the application of metal ions as a selective chemical ionization reagents and progress in this area are discussed. The goal is to identify trends in reactivity i.e. mechanisms useful in interpreting the chemical ionization spectra of unknown compounds and to test for the functional group selectivity of the various metal ions. The feasibility of these goals have been demonstrated in extensive studies on Cu + with esters and ketones, on Fe + with ethers, ketones, and hydrocarbons, and on Ti + with hydrocarbons. In addition, preliminary results on sulfur containing compounds and on a variety of other metallic ions have been obtained. Laboratory facilities were expanded from one ion cyclotron resonance (ICR) spectrometer to two, plus a third instrument the Fourier Transform Ion Cyclotron Resonance (FTICR) spectrometer

  6. Flow Studies of Decelerators at Supersonic Speeds

    Science.gov (United States)

    1959-01-01

    Wind tunnel tests recorded the effect of decelerators on flow at various supersonic speeds. Rigid parachute models were tested for the effects of porosity, shroud length, and number of shrouds. Flexible model parachutes were tested for effects of porosity and conical-shaped canopy. Ribbon dive brakes on a missile-shaped body were tested for effect of tension cable type and ribbon flare type. The final test involved a plastic sphere on riser lines.

  7. Characterization of supersonic radiation diffusion waves

    International Nuclear Information System (INIS)

    Moore, Alastair S.; Guymer, Thomas M.; Morton, John; Williams, Benjamin; Kline, John L.; Bazin, Nicholas; Bentley, Christopher; Allan, Shelly; Brent, Katie; Comley, Andrew J.; Flippo, Kirk; Cowan, Joseph; Taccetti, J. Martin; Mussack-Tamashiro, Katie; Schmidt, Derek W.; Hamilton, Christopher E.; Obrey, Kimberly; Lanier, Nicholas E.; Workman, Jonathan B.; Stevenson, R. Mark

    2015-01-01

    Supersonic and diffusive radiation flow is an important test problem for the radiative transfer models used in radiation-hydrodynamics computer codes owing to solutions being accessible via analytic and numeric methods. We present experimental results with which we compare these solutions by studying supersonic and diffusive flow in the laboratory. We present results of higher-accuracy experiments than previously possible studying radiation flow through up to 7 high-temperature mean free paths of low-density, chlorine-doped polystyrene foam and silicon dioxide aerogel contained by an Au tube. Measurements of the heat front position and absolute measurements of the x-ray emission arrival at the end of the tube are used to test numerical and analytical models. We find excellent absolute agreement with simulations provided that the opacity and the equation of state are adjusted within expected uncertainties; analytical models provide a good phenomenological match to measurements but are not in quantitative agreement due to their limited scope. - Highlights: • The supersonic, diffusion of x-rays through sub-solid density materials is studied. • The data are more diffusive and of higher velocity than any prior work. • Scaled 1D analytic diffusion models reproduce the heat front evolution. • Refined radiation transport approximations are tested in numerical simulations. • Simulations match the data if material properties are adjusted within uncertainties

  8. Trends in Supersonic Separator design development

    Directory of Open Access Journals (Sweden)

    Altam Rami Ali

    2017-01-01

    Full Text Available Supersonic separator is a new technology with applications in hydrocarbon dew pointing and gas dehydration which can be used to condensate and separate water and heavy hydrocarbons from natural gas. Many researchers have studied the design, performance and efficiency, economic viability, and industrial applications of these separators. The purpose of this paper is to succinctly review recent progress in the design and application of supersonic separators and their limitations. This review has found that while several aspects of this study are well studied, considerable gaps within the published literature still exists in the areas such as turndown flexibility which is a critical requirement to cater for variation of mass flow and since almost all the available designs have a fixed geometry and therefore cannot be considered suitable for variable mass flow rate, which is a common situation in actual site. Hence, the focus needs to be more on designing a flexible geometry that can maintain a high separation efficiency regardless of inlet conditions and mass flow variations. This review is focusing only on the design and application of the supersonic separators without going through the experimental facilities, industrial platform, pilot plants as well as theoretical, analytical, and numerical modelling.

  9. Density functional study of photoabsorption in metallic clusters using an exchange-correlation potential with correct long-range behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Torres, M.B. [Dpto. de Matematicas y Computacion, Universidad de Burgos, Burgos (Spain); Balbas, L.C. [Dpto. de Fisica Teorica, Universidad de Valladolid, Valladolid (Spain)

    2002-06-17

    The atomic exchange-correlation (xc) potential with the correct -1/r asymptotic behaviour constructed by Parr and Ghosh (Parr R G and Ghosh S K 1995 Phys. Rev. A 51 3564) is adapted here to study, within time density functional theory, the linear response to external fields of (i) neutral and charged sodium clusters, and (ii) doped clusters of the type Na{sub n}Pb (n=4, 6, 16). The resulting photoabsorption cross sections are compared to experimental results, when available, and to results from previous calculations using local and non-local xc functionals. The calculated static polarizabilities and plasmon frequencies are closer to the experimental values than previous results. (author)

  10. The origin and orbit of the old, metal-rich, open cluster NGC 6791. Insights from kinematics

    Czech Academy of Sciences Publication Activity Database

    Jílková, L.; Carraro, G.; Jungwiert, Bruno; Minchev, I.

    2012-01-01

    Roč. 541, April (2012), A64/1-A64/11 ISSN 0004-6361 R&D Projects: GA MŠk(CZ) LC06014; GA ČR GD205/08/H005 Institutional research plan: CEZ:AV0Z10030501 Keywords : galaxy * kinematics and dynamics * open clusters and associations Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 5.084, year: 2012

  11. Copper Sensing Function of Drosophila Metal-Responsive Transcription Factor-1 Is Mediated By a Tetranuclear Cu(I) Cluster

    Energy Technology Data Exchange (ETDEWEB)

    Chen, X.; Hua, H.; Balamurugan, K.; Kong, X.; Zhang, L.; George, G.N.; Georgiev, O.; Schaffner, W.; Giedroc, D.P.

    2009-05-12

    Drosophila melanogaster MTF-1 (dMTF-1) is a copper-responsive transcriptional activator that mediates resistance to Cu, as well as Zn and Cd. Here, we characterize a novel cysteine-rich domain which is crucial for sensing excess intracellular copper by dMTF-1. Transgenic flies expressing mutant dMTF-1 containing alanine substitutions of two, four or six cysteine residues within the sequence {sup 547}CNCTNCKCDQTKSCHGGDC{sup 565} are significantly or completely impaired in their ability to protect flies from copper toxicity and fail to up-regulate MtnA (metallothionein) expression in response to excess Cu. In contrast, these flies exhibit wild-type survival in response to copper deprivation thus revealing that the cysteine cluster domain is required only for sensing Cu load by dMTF-1. Parallel studies show that the isolated cysteine cluster domain is required to protect a copper-sensitive S. cerevisiae ace1 strain from copper toxicity. Cu(I) ligation by a Cys-rich domain peptide fragment drives the cooperative assembly of a polydentate [Cu{sub 4}-S{sub 6}] cage structure, characterized by a core of trigonally S{sub 3} coordinated Cu(I) ions bound by bridging thiolate ligands. While reminiscent of Cu{sub 4}-L{sub 6} (L = ligand) tetranuclear clusters in copper regulatory transcription factors of yeast, the absence of significant sequence homology is consistent with convergent evolution of a sensing strategy particularly well suited for Cu(I).

  12. Mononuclear Clusterfullerene Single-Molecule Magnet Containing Strained Fused-Pentagons Stabilized by a Nearly Linear Metal Cyanide Cluster

    DEFF Research Database (Denmark)

    Liu, Fupin; Wang, Song; Gao, Cong Li

    2017-01-01

    Fused-pentagons results in an increase of local steric strain according to the isolated pentagon rule (IPR), and for all reported non-IPR clusterfullerenes multiple (two or three) metals are required to stabilize the strained fused-pentagons, making it difficult to access the single-atom properti...... (SMM)....

  13. Electronic Effects on Room-Temperature, Gas-Phase C-H Bond Activations by Cluster Oxides and Metal Carbides: The Methane Challenge.

    Science.gov (United States)

    Schwarz, Helmut; Shaik, Sason; Li, Jilai

    2017-12-06

    This Perspective discusses a story of one molecule (methane), a few metal-oxide cationic clusters (MOCCs), dopants, metal-carbide cations, oriented-electric fields (OEFs), and a dizzying mechanistic landscape of methane activation! One mechanism is hydrogen atom transfer (HAT), which occurs whenever the MOCC possesses a localized oxyl radical (M-O • ). Whenever the radical is delocalized, e.g., in [MgO] n •+ the HAT barrier increases due to the penalty of radical localization. Adding a dopant (Ga 2 O 3 ) to [MgO] 2 •+ localizes the radical and HAT transpires. Whenever the radical is located on the metal centers as in [Al 2 O 2 ] •+ the mechanism crosses over to proton-coupled electron transfer (PCET), wherein the positive Al center acts as a Lewis acid that coordinates the methane molecule, while one of the bridging oxygen atoms abstracts a proton, and the negatively charged CH 3 moiety relocates to the metal fragment. We provide a diagnostic plot of barriers vs reactants' distortion energies, which allows the chemist to distinguish HAT from PCET. Thus, doping of [MgO] 2 •+ by Al 2 O 3 enables HAT and PCET to compete. Similarly, [ZnO] •+ activates methane by PCET generating many products. Adding a CH 3 CN ligand to form [(CH 3 CN)ZnO] •+ leads to a single HAT product. The CH 3 CN dipole acts as an OEF that switches off PCET. [MC] + cations (M = Au, Cu) act by different mechanisms, dictated by the M + -C bond covalence. For example, Cu + , which bonds the carbon atom mostly electrostatically, performs coupling of C to methane to yield ethylene, in a single almost barrier-free step, with an unprecedented atomic choreography catalyzed by the OEF of Cu + .

  14. Metallic behavior and negative differential resistance properties of (InAs)n (n = 2 − 4) molecule cluster junctions via a combined non–equilibrium Green's function and density functional theory study

    International Nuclear Information System (INIS)

    Wang, Qi; Li, Rong; Xu, Yuanlan; Zhang, Jianbing; Miao, Xiangshui; Zhang, Daoli

    2014-01-01

    In this present work, the geometric structures and electronic transport properties of (InAs) n (n = 2, 3, 4) molecule cluster junctions are comparatively investigated using NEGF combined with DFT. Results indicate that all (InAs) n molecule cluster junctions present metallic behavior at the low applied biases ([−2V, 2V]), while NDR appears at a certain high bias range. Our calculation shows that the current of (InAs) 4 molecule cluster–based junction is almost the largest at any bias. The mechanisms of the current–voltage characteristics of all the three molecule cluster junctions are proposed.

  15. Theoretical perspective on structural, electronic and magnetic properties of 3d metal tetraoxide clusters embedded into single and di-vacancy graphene

    Energy Technology Data Exchange (ETDEWEB)

    Rafique, Muhammad [School of Energy Science and Engineering, Harbin Institute of Technology, 92 West Dazhi Street, Harbin 150001 (China); Mehran University of Engineering and Technology, S.Z.A.B, Campus Khairpur Mir' s, Sindh (Pakistan); Shuai, Yong, E-mail: shuaiyong@hit.edu.cn [School of Energy Science and Engineering, Harbin Institute of Technology, 92 West Dazhi Street, Harbin 150001 (China); Tan, He-Ping; Muhammad, Hassan [School of Energy Science and Engineering, Harbin Institute of Technology, 92 West Dazhi Street, Harbin 150001 (China)

    2017-06-30

    Highlights: • First-principles calculations are performed for TMO{sub 4} cluster-doped SV and DV monolayer graphene structures. • Ferromagnetism coupling behavior between TM atoms and neighboring C and O atoms was observed for all structural models. • The direction of charge transfer is always from graphene layer to TMO{sub 4} clusters. • CrO{sub 4} and MnO{sub 4} doped SV graphene systems display dilute magnetic semiconductor (DMS) behavior in their spin down channel. • CoO{sub 4}, CrO{sub 4}, FeO{sub 4} and MnO{sub 4} doped DV graphene systems exhibit DMS behavior in their spin up channel. - Abstract: Structural, electronic and magnetic properties of 3d transition metal tetraoxide TMO{sub 4} superhalogen clusters doped single vacancy (SV) and divacancy (DV) monolayer graphene have been studied using first-principles calculations. We found that in both cases of TMO{sub 4} cluster substitution, all the impurity atoms are tightly bonded with graphene, having significant formation energy and large charge transfer occurs from graphene to TMO{sub 4} clusters. CrO{sub 4} and MnO{sub 4} substituted SV graphene structures exhibit dilute magnetic semiconductor behavior in their spin down channel with 2.15 μ{sub B} and 3.51 μ{sub B} magnetic moment, respectively. However, CoO{sub 4}, FeO{sub 4}, TiO{sub 4} and NiO{sub 4} substitution into SV graphene, leads to Fermi level shifting to conduction band, thereby causing the Dirac cone to move into valence band and a band gap appears at high symmetric K-point. Interestingly, CoO{sub 4}, CrO{sub 4}, FeO{sub 4} and MnO{sub 4} substituted DV graphene structures exhibit dilute magnetic semiconductor behavior in their spin up channel with 1.74 μ{sub B}, 3.27 μ{sub B}, 3.09 μ{sub B} and 1.99 μ{sub B} magnetic moment, respectively. Detailed analysis of density of states (DOS) plots show that d orbitals of 3d TM atoms should be responsible for inducing magnetic moments in graphene. We believe that our results are

  16. Optimization of synthesis protocols to control the nanostructure and the morphology of metal oxide thin films for memristive applications

    Energy Technology Data Exchange (ETDEWEB)

    Baldi, G., E-mail: giacomo.baldi@cnr.it; Bosi, M.; Attolini, G.; Berzina, T.; Mosca, R.; Ponraj, J. S.; Iannotta, S. [IMEM-CNR Institute, Parco Area delle Scienze 37/A, I-43124 Parma (Italy); Giusti, G.; Nozar, P.; Toccoli, T.; Verucchi, R. [IMEM-CNR Institute, Via alla Cascata 56/C, Povo – I-38123 Trento (Italy); Collini, C.; Lorenzelli, L. [FBK Bruno Kessler Foundation, Via Sommarive 18, I-38123 Trento (Italy)

    2015-03-10

    We propose a multi-technique approach based on in-vacuum synthesis of metal oxides to optimize the memristive properties of devices that use a metal oxide thin film as insulating layer. Pulsed Microplasma Cluster Source (PMCS) is based on supersonic beams seeded by clusters of the metal oxide. Nanocrystalline TiO{sub 2} thin films can be grown at room temperature, controlling the oxide stoichiometry from titanium metal up to a significant oxygen excess. Pulsed Electron beam Deposition (PED) is suitable to grow crystalline thin films on large areas, a step towards producing device arrays with controlled morphology and stoichiometry. Atomic Layer Deposition (ALD) is a powerful technique to grow materials layer-by-layer, finely controlling the chemical and structural properties of the film up to thickness of 50-80 nm. We will present a few examples of metal-insulator-metal structures showing a pinched hysteresis loop in their current-voltage characteristic. The structure, stoichiometry and morphology of the metal oxide layer, either aluminum oxide or titanium dioxide, is investigated by means of scanning electron microscopy (SEM) and by Raman scattering.

  17. Fano-induced spontaneous emission enhancement of molecule placed in a cluster of asymmetrically-arranged metallic nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Le, Khai Q., E-mail: khai.lequang@hoasen.edu.vn [Faculty of Science and Technology, Hoa Sen University, Ho Chi Minh (Viet Nam); Department of Electrical Engineering, University of Minnesota, Duluth, MN 55812 (United States); Bai, Jing [Department of Electrical Engineering, University of Minnesota, Duluth, MN 55812 (United States); Nguyen, H.P.T. [Department of Electrical and Computer Engineering, New Jersey Institute of Technology, NJ 07102 (United States)

    2016-05-15

    We demonstrate that plasmonic Fano resonance significantly boosts spontaneous emission rate of a single emitter, e.g. atom, molecule and quantum dot, over a moderately broad emission spectrum. An emission enhancement of up to 140 times compared to the system with no external inclusion at tunable frequencies is achieved, providing a new complementary enhancement mechanism. Fano resonance is induced in clusters of four asymmetric-arranged nanoparticles with ultra-small inter-particle gaps. It is shown to play a dominant role in light-emitting enhancement, mediated by combined localized surface plasmon resonances.

  18. Dissolved Massive Metal-rich Globular Clusters Can Cause the Range of UV Upturn Strengths Found among Early-type Galaxies

    Science.gov (United States)

    Goudfrooij, Paul

    2018-04-01

    I discuss a scenario in which the ultraviolet (UV) upturn of giant early-type galaxies (ETGs) is primarily due to helium-rich stellar populations that formed in massive metal-rich globular clusters (GCs), which subsequently dissolved in the strong tidal field in the central regions of the massive host galaxy. These massive GCs are assumed to show UV upturns similar to those observed recently in M87, the central giant elliptical galaxy in the Virgo cluster of galaxies. Data taken from the literature reveal a strong correlation between the strength of the UV upturn and the specific frequency of metal-rich GCs in ETGs. Adopting a Schechter function parameterization of GC mass functions, simulations of long-term dynamical evolution of GC systems show that the observed correlation between UV upturn strength and GC specific frequency can be explained by variations in the characteristic truncation mass {{ \\mathcal M }}{{c}} such that {{ \\mathcal M }}{{c}} increases with ETG luminosity in a way that is consistent with observed GC luminosity functions in ETGs. These findings suggest that the nature of the UV upturn in ETGs and the variation of its strength among ETGs are causally related to that of helium-rich populations in massive GCs, rather than intrinsic properties of field stars in massive galactic spheroids. With this in mind, I predict that future studies will find that [N/Fe] decreases with increasing galactocentric radius in massive ETGs, and that such gradients have the largest amplitudes in ETGs with the strongest UV upturns.

  19. Vacancy defects and defect clusters in alkali metal ion-doped MgO nanocrystallites studied by positron annihilation and photoluminescence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sellaiyan, S.; Uedono, A. [University of Tsukuba, Division of Applied Physics, Tsukuba, Ibaraki (Japan); Sivaji, K.; Janet Priscilla, S. [University of Madras, Department of Nuclear Physics, Chennai (India); Sivasankari, J. [Anna University, Department of Physics, Chennai (India); Selvalakshmi, T. [National Institute of Technology, Nanomaterials Laboratory, Department of Physics, Tiruchirappalli (India)

    2016-10-15

    Pure and alkali metal ion (Li, Na, and K)-doped MgO nanocrystallites synthesized by solution combustion technique have been studied by positron lifetime and Doppler broadening spectroscopy methods. Positron lifetime analysis exhibits four characteristic lifetime components for all the samples. Doping reduces the Mg vacancy after annealing to 800 C. It was observed that Li ion migrates to the vacancy site to recover Mg vacancy-type defects, reducing cluster vacancies and micropores. For Na- and K-doped MgO, the aforementioned defects are reduced and immobile at 800 C. Coincidence Doppler broadening studies show the positron trapping sites as vacancy clusters. The decrease in the S parameter is due to the particle growth and reduction in the defect concentration at 800 C. Photoluminescence study shows an emission peak at 445 nm and 498 nm, associated with F{sub 2} {sup 2+} and recombination of higher-order vacancy complexes. Further, annealing process is likely to dissociate F{sub 2} {sup 2+} to F{sup +} and this F{sup +} is converted into F centers at 416 nm. (orig.)

  20. Vacancy defects and defect clusters in alkali metal ion-doped MgO nanocrystallites studied by positron annihilation and photoluminescence spectroscopy

    Science.gov (United States)

    Sellaiyan, S.; Uedono, A.; Sivaji, K.; Janet Priscilla, S.; Sivasankari, J.; Selvalakshmi, T.

    2016-10-01

    Pure and alkali metal ion (Li, Na, and K)-doped MgO nanocrystallites synthesized by solution combustion technique have been studied by positron lifetime and Doppler broadening spectroscopy methods. Positron lifetime analysis exhibits four characteristic lifetime components for all the samples. Doping reduces the Mg vacancy after annealing to 800 °C. It was observed that Li ion migrates to the vacancy site to recover Mg vacancy-type defects, reducing cluster vacancies and micropores. For Na- and K-doped MgO, the aforementioned defects are reduced and immobile at 800 °C. Coincidence Doppler broadening studies show the positron trapping sites as vacancy clusters. The decrease in the S parameter is due to the particle growth and reduction in the defect concentration at 800 °C. Photoluminescence study shows an emission peak at 445 nm and 498 nm, associated with F2 2+ and recombination of higher-order vacancy complexes. Further, annealing process is likely to dissociate F2 2+ to F+ and this F+ is converted into F centers at 416 nm.

  1. Vacancy defects and defect clusters in alkali metal ion-doped MgO nanocrystallites studied by positron annihilation and photoluminescence spectroscopy

    International Nuclear Information System (INIS)

    Sellaiyan, S.; Uedono, A.; Sivaji, K.; Janet Priscilla, S.; Sivasankari, J.; Selvalakshmi, T.

    2016-01-01

    Pure and alkali metal ion (Li, Na, and K)-doped MgO nanocrystallites synthesized by solution combustion technique have been studied by positron lifetime and Doppler broadening spectroscopy methods. Positron lifetime analysis exhibits four characteristic lifetime components for all the samples. Doping reduces the Mg vacancy after annealing to 800 C. It was observed that Li ion migrates to the vacancy site to recover Mg vacancy-type defects, reducing cluster vacancies and micropores. For Na- and K-doped MgO, the aforementioned defects are reduced and immobile at 800 C. Coincidence Doppler broadening studies show the positron trapping sites as vacancy clusters. The decrease in the S parameter is due to the particle growth and reduction in the defect concentration at 800 C. Photoluminescence study shows an emission peak at 445 nm and 498 nm, associated with F_2 "2"+ and recombination of higher-order vacancy complexes. Further, annealing process is likely to dissociate F_2 "2"+ to F"+ and this F"+ is converted into F centers at 416 nm. (orig.)

  2. Thermodynamics of Small Alkali Metal Halide Cluster Ions: Comparison of Classical Molecular Simulations with Experiment and Quantum Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Vlcek, Lukas [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Uhlik, Filip [Charles Univ., Prague (Czech Republic); Moucka, Filip [Purkinje Univ. (Czech Republic); Nezbeda, Ivo [Purkinje Univ. (Czech Republic); Academy of Sciences of the Czech Republic (ASCR), Prague (Czech Republic); Chialvo, Ariel A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-12-16

    We evaluate the ability of selected classical molecular models to describe the thermodynamic and structural aspects of gas-phase hydration of alkali halide ions and the formation of small water clusters. To understand the effect of many-body interactions (polarization) and charge penetration effects on the accuracy of a force field, we perform Monte Carlo simulations with three rigid water models using different functional forms to account for these effects: (i) point charge non-polarizable SPC/E, (ii) Drude point charge polarizable SWM4- DP, and (iii) Drude Gaussian charge polarizable BK3. Model predictions are compared with experimental Gibbs free energies and enthalpies of ion hydration, and with microscopic structural properties obtained from quantum DFT calculations. We find that all three models provide comparable predictions for pure water clusters and cation hydration, but differ significantly in their description of anion hydration. None of the investigated classical force fields can consistently and quantitatively reproduce the experimental gas phase hydration thermodynamics. The outcome of this study highlights the relation between the functional form that describes the effective intermolecular interactions and the accuracy of the resulting ion hydration properties.

  3. N-Heterocyclic Carbene Coinage Metal Complexes of the Germanium-Rich Metalloid Clusters [Ge9R3]− and [Ge9RI2]2− with R = Si(iPr3 and RI = Si(TMS3

    Directory of Open Access Journals (Sweden)

    Felix S. Geitner

    2017-07-01

    Full Text Available We report on the synthesis of novel coinage metal NHC (N-heterocyclic carbene compounds of the germanium-rich metalloid clusters [Ge9R3]− and [Ge9RI2]2− with R = Si(iPr3 and RI = Si(TMS3. NHCDippCu{η3Ge9R3} with R = Si(iPr3 (1 represents a less bulky silyl group-substituted derivative of the known analogous compounds with R = Si(iBu3 or Si(TMS3. The coordination of the [NHCDippCu]+ moiety to the cluster unit occurs via one triangular face of the tri-capped trigonal prismatic [Ge9] cluster. Furthermore, a series of novel Zintl cluster coinage metal NHC compounds of the type (NHCM2{η3Ge9RI2} (RI = Si(TMS3 M = Cu, Ag and Au; NHC = NHCDipp or NHCMes is presented. These novel compounds represent a new class of neutral dinuclear Zintl cluster coinage metal NHC compounds, which are obtained either by the stepwise reaction of a suspension of K12Ge17 with Si(TMS3Cl and the coinage metal carbene complexes NHCMCl (M = Cu, Ag, Au, or via a homogenous reaction using the preformed bis-silylated cluster K2[Ge9(Si(TMS32] and the corresponding NHCMCl (M = Cu, Ag, Au complex. The molecular structures of NHCDippCu{η3Ge9(Si(iPr33} (1 and (NHCDippCu2{η3-Ge9(Si(TMS32} (2 were determined by single crystal X-ray diffraction methods. In 2, the coordination of the [NHCDippCu]+ moieties to the cluster unit takes place via both open triangular faces of the [Ge9] entity. Furthermore, all compounds were characterized by means of NMR spectroscopy (1H, 13C, 29Si and ESI-MS.

  4. Low Density Supersonic Decelerator (LDSD) Supersonic Flight Dynamics Test (SFDT) Plume Induced Environment Modelling

    Science.gov (United States)

    Mobley, B. L.; Smith, S. D.; Van Norman, J. W.; Muppidi, S.; Clark, I

    2016-01-01

    Provide plume induced heating (radiation & convection) predictions in support of the LDSD thermal design (pre-flight SFDT-1) Predict plume induced aerodynamics in support of flight dynamics, to achieve targeted freestream conditions to test supersonic deceleration technologies (post-flight SFDT-1, pre-flight SFDT-2)

  5. 76 FR 30231 - Civil Supersonic Aircraft Panel Discussion

    Science.gov (United States)

    2011-05-24

    ... awareness of the continuing technological advancements in supersonic aircraft technology aimed at reducing... Wednesday, April 21, 2010, as part of the joint meeting of the 159th Acoustical Society of America and NOISE... advances in supersonic technology, and for the FAA, the National Aeronautics and Space Administration (NASA...

  6. Evolution of the Stellar Mass–Metallicity Relation. I. Galaxies in the z ∼ 0.4 Cluster Cl0024

    Science.gov (United States)

    Leethochawalit, Nicha; Kirby, Evan N.; Moran, Sean M.; Ellis, Richard S.; Treu, Tommaso

    2018-03-01

    We present the stellar mass–stellar metallicity relationship (MZR) in the galaxy cluster Cl0024+1654 at z ∼ 0.4 using full-spectrum stellar population synthesis modeling of individual quiescent galaxies. The lower limit of our stellar mass range is M * = 109.7 M ⊙, the lowest galaxy mass at which individual stellar metallicity has been measured beyond the local universe. We report a detection of an evolution of the stellar MZR with observed redshift at 0.037 ± 0.007 dex per Gyr, consistent with the predictions from hydrodynamical simulations. Additionally, we find that the evolution of the stellar MZR with observed redshift can be explained by an evolution of the stellar MZR with the formation time of galaxies, i.e., when the single stellar population (SSP)-equivalent ages of galaxies are taken into account. This behavior is consistent with stars forming out of gas that also has an MZR with a normalization that decreases with redshift. Lastly, we find that over the observed mass range, the MZR can be described by a linear function with a shallow slope ([{Fe}/{{H}}]\\propto (0.16+/- 0.03){log}{M}* ). The slope suggests that galaxy feedback, in terms of mass-loading factor, might be mass-independent over the observed mass and redshift range.

  7. From simple rings to one-dimensional channels with calix[8]arenes, water clusters, and alkali metal ions

    OpenAIRE

    Bergougnant, Rémi D.; Robin, Adeline Y.; Fromm, Katharina M.

    2007-01-01

    The macrocycle 4-tert-butylcalix[8]arene (L) was reacted with alkali metal carbonates (Li₂CO₃, Na₂CO₃, K₂CO₃, Rb₂CO₃, and Cs₂CO₃) at the interface of a biphasic THF/water system. Needle-like crystals with a general formula [Ax(4-tert-butylcalix[8]arene-xH)(THF)y(H₂O)z] (with A=Li, Na, K, Rb, Cs, x=1, 2, y=4, 5, 8, and z=6, 7) were thereby obtained. The solid state structures were investigated by X-ray diffraction of single crystals and by TGA measurements. They do not appear to be maintained ...

  8. Structure and bonding in clusters

    International Nuclear Information System (INIS)

    Kumar, V.

    1991-10-01

    We review here the recent progress made in the understanding of the electronic and atomic structure of small clusters of s-p bonded materials using the density functional molecular dynamics technique within the local density approximation. Starting with a brief description of the method, results are presented for alkali metal clusters, clusters of divalent metals such as Mg and Be which show a transition from van der Waals or weak chemical bonding to metallic behaviour as the cluster size grows and clusters of Al, Sn and Sb. In the case of semiconductors, we discuss results for Si, Ge and GaAs clusters. Clusters of other materials such as P, C, S, and Se are also briefly discussed. From these and other available results we suggest the possibility of unique structures for the magic clusters. (author). 69 refs, 7 figs, 1 tab

  9. IPCS implications for future supersonic transport aircraft

    Science.gov (United States)

    Billig, L. O.; Kniat, J.; Schmidt, R. D.

    1976-01-01

    The Integrated Propulsion Control System (IPCS) demonstrates control of an entire supersonic propulsion module - inlet, engine afterburner, and nozzle - with an HDC 601 digital computer. The program encompasses the design, build, qualification, and flight testing of control modes, software, and hardware. The flight test vehicle is an F-111E airplane. The L.H. inlet and engine will be operated under control of a digital computer mounted in the weapons bay. A general description and the current status of the IPCS program are given.

  10. A systematic study of supersonic jet noise.

    Science.gov (United States)

    Louis, J. F.; Letty, R. P.; Patel, J. R.

    1972-01-01

    The acoustic fields for a rectangular and for an axisymmetric nozzle configuration are studied. Both nozzles are designed for identical flow parameters. It is tried to identify the dominant noise mechanisms. The other objective of the study is to establish scaling laws of supersonic jet noise. A shock tunnel is used in the investigations. Measured sound directivity, propagation direction of Mach waves obtained by shadowgraphs, and the slight dependence of the acoustic efficiency on the level of expansion indicate that Mach waves contribute significantly to the noise produced by a rectangular jet.

  11. Advanced supersonic propulsion study, phase 4

    Science.gov (United States)

    Howlett, R. A.

    1977-01-01

    Installation characteristics for a Variable Stream Control Engine (VSCE) were studied for three advanced supersonic airplane designs. Sensitivity of the VSCE concept to change in technology projections was evaluated in terms of impact on overall installed performance. Based on these sensitivity results, critical technology requirements were reviewed, resulting in the reaffirmation of the following requirements: low-noise nozzle system; a high performance, low emissions duct burner and main burner; hot section technology; variable geometry components; and propulsion integration features, including an integrated electronic control system.

  12. Assessment of heavy metal contamination in water and sediments of Trepça and Sitnica rivers, Kosovo, using pollution indicators and multivariate cluster analysis.

    Science.gov (United States)

    Ferati, Flora; Kerolli-Mustafa, Mihone; Kraja-Ylli, Arjana

    2015-06-01

    The concentrations of As, Cd, Cr, Co, Cu, Ni, Pb, and Zn in water and sediment samples from Trepça and Sitnica rivers were determined to assess the level of contamination. Six water and sediment samples were collected during the period from April to July 2014. Most of the water samples was found within the European and Kosovo permissible limits. The highest concentration of As, Cd, Pb, and Zn originates primarily from anthropogenic sources such discharge of industrial water from mining flotation and from the mine waste eroded from the river banks. Sediment contamination assessment was carried out using the pollution indicators such as contamination factor (CF), degree of contamination (Cd), modified degree of contamination (mCd), pollution load index (PLI), and geo-accumulation index (Igeo). The CF values for the investigated metals indicated a high contaminated nature of sediments, while the Cd values indicated a very high contamination degree of sediments. The mCd values indicate a high degree of contamination of Sitnica river sediment to ultrahigh degree of contamination of Trepça river sediment. The PLI values ranged from 1.89 to 14.1 which indicate that the heavy metal concentration levels in all investigated sites exceeded the background values and sediment quality guidelines. The average values of Igeo revealed the following ranking of intensity of heavy metal contamination of the Trepça and Sitnica river sediments: Cd > As > Pb > Zn > Cu > Co > Cr > Ni. Cluster analysis suggests that As, Cd, Cr, Co, Cu, Ni, Pb, and Zn are derived from anthropogenic sources, particularly discharges from mining flotation and erosion form waste from a zinc mine plant. In order to protect the sediments from further contamination, the designing of a monitoring network and reducing the anthropogenic discharges are suggested.

  13. A cluster of pediatric metallic mercury exposure cases treated with meso-2,3-dimercaptosuccinic acid (DMSA)

    Science.gov (United States)

    Forman, J; Moline, J; Cernichiari, E; Sayegh, S; Torres, J C; Landrigan, M M; Hudson, J; Adel, H N; Landrigan, P J

    2000-06-01

    Nine children and their mother were exposed to vapors of metallic mercury. The source of the exposure appears to have been a 6-oz vial of mercury taken from a neighbor's home. The neighbor reportedly operated a business preparing mercury-filled amulets for practitioners of the Afro-Caribbean religion Santeria. At diagnosis, urinary mercury levels in the children ranged from 61 to 1,213 microg/g creatinine, with a geometric mean of 214.3 microg/m creatinine. All of the children were asymptomatic. To prevent development of neurotoxicity, we treated the children with oral meso-2,3-dimercaptosuccinic acid (DMSA). During chelation, the geometric mean urine level rose initially by 268% to 573.2 microg mercury/g creatinine (p<0.0005). At the 6-week follow-up examination after treatment, the geometric mean urine mercury level had fallen to 102.1 microg/g creatinine, which was 17.8% of the geometric mean level observed during treatment (p<0.0005) and 47.6% of the original baseline level (p<0.001). Thus, oral chelation with DMSA produced a significant mercury diuresis in these children. We observed no adverse side effects of treatment. DMSA appears to be an effective and safe chelating agent for treatment of pediatric overexposure to metallic mercury.

  14. Proton transport facilitating water-oxidation: the role of second sphere ligands surrounding the catalytic metal cluster.

    Science.gov (United States)

    Bao, Han; Dilbeck, Preston L; Burnap, Robert L

    2013-10-01

    The ability of PSII to extract electrons from water, with molecular oxygen as a by-product, is a remarkable biochemical and evolutionary innovation. From an evolutionary perspective, the invention of PSII approximately 2.7 Ga led to the accelerated accumulation of biomass in the biosphere and the accumulation of oxygen in the atmosphere, a combination that allowed for the evolution of a much more complex and extensive biosphere than would otherwise have been possible. From the biochemical and enzymatic perspective, PSII is remarkable because of the thermodynamic and kinetic obstacles that needed to have been overcome to oxidize water as the ultimate photosynthetic electron donor. This article focuses on how proton release is an integral part of how these kinetic and thermodynamic obstacles have been overcome: the sequential removal of protons from the active site of H2O-oxidation facilitates the multistep oxidation of the substrate water at the Mn4CaOx, the catalytic heart of the H2O-oxidation reaction. As noted previously, the facilitated deprotonation of the Mn4CaOx cluster exerts a redox-leveling function preventing the accumulation of excess positive charge on the cluster, which might otherwise hinder the already energetically difficult oxidation of water. Using recent results, including the characteristics of site-directed mutants, the role of the second sphere of amino acid ligands and the associated network of water molecules surrounding the Mn4CaOx is discussed in relation to proton transport in other systems. In addition to the redox-leveling function, a trapping function is assigned to the proton release step occurring immediately prior to the dioxygen chemistry. This trapping appears to involve a yet-to-be clarified gating mechanism that facilitates to coordinated release of a proton from the neighborhood of the active site thereby insuring that the backward charge-recombination reaction does not out-compete the forward reaction of dioxygen chemistry

  15. An Opportunity for Hydrogen Fueled Supersonic Airliners

    Directory of Open Access Journals (Sweden)

    Alex Forbes

    2011-02-01

    Full Text Available This paper takes a new look at the prospects for developing supersonic civil airliners, considering global demographics, climate change issues, fuel prices and technological advances. Dramatic changes have occurred in the demographics, economics, and market intensity of the Eastern Hemisphere since the 1990s. Carbon reduction imperatives provide a major incentive to invest in developing hydrogen-fueled airliners. The “point-to-point” air route architecture has proved viable with long range mid-size airliners. With a cruise Mach number of 1.4, a large number of destinations become viable for overland supersonic flight. A conceptual design process is used to estimate cost per seat mile for a range of hydrocarbon and hydrogen fuel costs. An argument based on the ideal shape for minimal wave drag, estimates the drag penalty from using hydrogen. Viable aircraft geometries are shown to exist, that match the theoretical ideal shape, showing that the drag estimate is achievable. Conservative design arguments and market estimates suggest that hydrogen-fueled airliners can achieve seat-mile costs low enough to open a large worldwide market and justify a viable fleet size.

  16. Van der Waals potentials between metal clusters and helium atoms obtained with density functional theory and linear response methods

    International Nuclear Information System (INIS)

    Liebrecht, M.

    2014-01-01

    The importance of van der Waals interactions in many diverse research fields such as, e. g., polymer science, nano--materials, structural biology, surface science and condensed matter physics created a high demand for efficient and accurate methods that can describe van der Waals interactions from first principles. These methods should be able to deal with large and complex systems to predict functions and properties of materials that are technologically and biologically relevant. Van der Waals interactions arise due to quantum mechanical correlation effects and finding appropriate models an numerical techniques to describe this type of interaction is still an ongoing challenge in electronic structure and condensed matter theory. This thesis introduces a new variational approach to obtain intermolecular interaction potentials between clusters and helium atoms by means of density functional theory and linear response methods. It scales almost linearly with the number of electrons and can therefore be applied to much larger systems than standard quantum chemistry techniques. The main focus of this work is the development of an ab-initio method to account for London dispersion forces, which are purely attractive and dominate the interaction of non--polar atoms and molecules at large distances. (author) [de

  17. Mo{sub 2}B{sub 4}O{sub 9} - connecting borate and metal-cluster chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Schmitt, Martin K.; Huppertz, Hubert [Institut fuer Allgemeine, Anorganische und Theoretische Chemie, Universitaet Innsbruck (Austria); Janka, Oliver; Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany); Benndorf, Christopher [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany); Institut fuer Physikalische Chemie, Universitaet Muenster (Germany); Institut fuer Mineralogie, Kristallographie und Materialwissenschaften, Universitaet Leipzig (Germany); Oliveira, Marcos de Jr. [Sao Carlos Institute of Physics, University of Sao Paulo, Sao Carlos (Brazil); Eckert, Hellmut [Institut fuer Physikalische Chemie, Universitaet Muenster (Germany); Sao Carlos Institute of Physics, University of Sao Paulo, Sao Carlos (Brazil); Pielnhofer, Florian; Tragl, Amadeus-Samuel [Institut fuer Anorganische Chemie, Universitaet Regensburg (Germany); Weihrich, Richard [Institut fuer Materials Resource Management, Universitaet Augsburg (Germany); Joachim, Bastian [Institut fuer Mineralogie und Petrographie, Universitaet Innsbruck (Austria); Johrendt, Dirk [Department Chemie, Ludwig-Maximilians-Universitaet Muenchen (Germany)

    2017-06-01

    We report on the first thoroughly characterized molybdenum borate, which was synthesized in a high-pressure/high-temperature experiment at 12.3 GPa/1300 C using a Walker-type multianvil apparatus. Mo{sub 2}B{sub 4}O{sub 9} incorporates tetrahedral molybdenum clusters into an anionic borate crystal structure - a structural motif that has never been observed before in the wide field of borate crystal chemistry. The six bonding molecular orbitals of the [Mo{sub 4}] tetrahedron are completely filled with 12 electrons, which are fully delocalized over the four molybdenum atoms. This finding is in agreement with the results of the magnetic measurements, which confirmed the diamagnetic character of Mo{sub 2}B{sub 4}O{sub 9}. The two four-coordinated boron sites can be differentiated in the {sup 11}B MAS-NMR spectrum because of the strongly different degrees of local distortions. Experimentally obtained IR and Raman bands were assigned to vibrational modes based on DFT calculations. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Electron ionization LC-MS with supersonic molecular beams--the new concept, benefits and applications.

    Science.gov (United States)

    Seemann, Boaz; Alon, Tal; Tsizin, Svetlana; Fialkov, Alexander B; Amirav, Aviv

    2015-11-01

    A new type of electron ionization LC-MS with supersonic molecular beams (EI-LC-MS with SMB) is described. This system and its operational methods are based on pneumatic spray formation of the LC liquid flow in a heated spray vaporization chamber, full sample thermal vaporization and subsequent electron ionization of vibrationally cold molecules in supersonic molecular beams. The vaporized sample compounds are transferred into a supersonic nozzle via a flow restrictor capillary. Consequently, while the pneumatic spray is formed and vaporized at above atmospheric pressure the supersonic nozzle backing pressure is about 0.15 Bar for the formation of supersonic molecular beams with vibrationally cold sample molecules without cluster formation with the solvent vapor. The sample compounds are ionized in a fly-though EI ion source as vibrationally cold molecules in the SMB, resulting in 'Cold EI' (EI of vibrationally cold molecules) mass spectra that exhibit the standard EI fragments combined with enhanced molecular ions. We evaluated the EI-LC-MS with SMB system and demonstrated its effectiveness in NIST library sample identification which is complemented with the availability of enhanced molecular ions. The EI-LC-MS with SMB system is characterized by linear response of five orders of magnitude and uniform compound independent response including for non-polar compounds. This feature improves sample quantitation that can be approximated without compound specific calibration. Cold EI, like EI, is free from ion suppression and/or enhancement effects (that plague ESI and/or APCI) which facilitate faster LC separation because full separation is not essential. The absence of ion suppression effects enables the exploration of fast flow injection MS-MS as an alternative to lengthy LC-MS analysis. These features are demonstrated in a few examples, and the analysis of the main ingredients of Cannabis on a few Cannabis flower extracts is demonstrated. Finally, the advantages of

  19. Infrared Spectroscopy of Metal Ion Complexes: Models for Metal Ligand Interactions and Solvation

    Science.gov (United States)

    Duncan, Michael

    2006-03-01

    Weakly bound complexes of the form M^+-Lx (M=Fe, Ni, Co, etc.; L=CO2, C2H2, H2O, benzene, N2) are prepared in supersonic molecular beams by laser vaporization in a pulsed-nozzle cluster source. These species are mass analyzed and size-selected in a reflectron time-of-flight mass spectrometer. Clusters are photodissociated at infrared wavelengths with a Nd:YAG pumped infrared optical parametric oscillator/amplifier (OPO/OPA) laser or with a tunable infrared free-electron laser. M^+-(CO2)x complexes absorb near the free CO2 asymmetric stretch near 2349 cm-1 but with an interesting size dependent variation in the resonances. Small clusters have blue-shifted resonances, while larger complexes have additional bands due to surface CO2 molecules not attached to the metal. M^+(C2H2)n complexes absorb near the C-H stretches in acetylene, but resonances in metal complexes are red-shifted with repect to the isolated molecule. Ni^+ and Co^+ complexes with acetylene undergo intracluster cyclization reactions to form cyclobutadiene. Transition metal water complexes are studied in the O-H stretch region, and partial rotational structure can be measured. M^+(benzene) and M^+(benzene)2 ions (M=V, Ti, Al) represent half-sandwich and sandwich species, whose spectra are measured near the free benzene modes. These new IR spectra and their assignments will be discussed as well as other new IR spectra for similar complexes.

  20. Structures and the Hydrogen Bonding Abilities of Estrogens Studied by Supersonic Jet/laser Spectroscopy

    Science.gov (United States)

    Morishima, Fumiya; Inokuchi, Yoshiya; Ebata, Takayuki

    2013-06-01

    Estrone, estradiol, estriol are known as endogenous estrogen which have the same steroidal frame with different substituent, leading to difference of physiological activity upon the formation of hydrogen bond with estrogen receptor. In the present study, structures of estrogens and their hydrated clusters in a supersonic jet have been studied by various laser spectroscopic techniques and density functional theory calculation to study how the difference of substituents affects their hydrogen bonding ability. Infrared spectra in the OH stretching region indicate a formation of intramolecular hydrogen-bond in estriol, which may lead to weaker physiological activity among the three estrogens. We also measured electronic and infrared spectra of 1:1 hydrated clusters of estrogen. The results show a switch of stable hydration site from the phenolic OH group to the five member ring by substituting one more OH group.

  1. Molecules in the cold environment of a supersonic free-jet beam: from spectroscopy of neutral-neutral interactions to a test of Bell's inequality

    International Nuclear Information System (INIS)

    Koperski, J; Fry, E S

    2006-01-01

    The supersonic free-jet expansion technique has been used in different fields of research in physics, physical chemistry and chemistry to study vibrational and rotational molecular structures in ground and excited electronic energy states as well as in cold chemistry to study chemical reactions in a unique environment. The supersonic beam technique, as a widely used method in laser spectroscopy of molecules, exploits a source of monokinetic, rotationally and vibrationally cold molecules, that are very weakly bound in their ground electronic states (van der Waals molecules). In experiments at Jagiellonian University the supersonic free-jet beam serves as a source of ground-state van der Waals objects in studies of neutral-neutral interactions between group 12 metal (M = Zn, Cd, Hg) and noble gas (NG) atoms. Recently, the method has been applied as a source of entangled 199 Hg atom pairs in order to test Bell's inequality in an experiment at Texas A and M University

  2. Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation

    KAUST Repository

    Minenkov, Yury

    2017-03-07

    In this work, we tested canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) for a set of 32 ligand exchange and association/dissociation reaction enthalpies involving ionic complexes of Li, Be, Na, Mg, Ca, Sr, Ba and Pb(ii). Two strategies were investigated: in the former, only valence electrons were included in the correlation treatment, giving rise to the computationally very efficient FC (frozen core) approach; in the latter, all non-ECP electrons were included in the correlation treatment, giving rise to the AE (all electron) approach. Apart from reactions involving Li and Be, the FC approach resulted in non-homogeneous performance. The FC approach leads to very small errors (<2 kcal mol-1) for some reactions of Na, Mg, Ca, Sr, Ba and Pb, while for a few reactions of Ca and Ba deviations up to 40 kcal mol-1 have been obtained. Large errors are both due to artificial mixing of the core (sub-valence) orbitals of metals and the valence orbitals of oxygen and halogens in the molecular orbitals treated as core, and due to neglecting core-core and core-valence correlation effects. These large errors are reduced to a few kcal mol-1 if the AE approach is used or the sub-valence orbitals of metals are included in the correlation treatment. On the technical side, the CCSD(T) and DLPNO-CCSD(T) results differ by a fraction of kcal mol-1, indicating the latter method as the perfect choice when the CPU efficiency is essential. For completely black-box applications, as requested in catalysis or thermochemical calculations, we recommend the DLPNO-CCSD(T) method with all electrons that are not covered by effective core potentials included in the correlation treatment and correlation-consistent polarized core valence basis sets of cc-pwCVQZ(-PP) quality.

  3. Linear stability analysis of supersonic axisymmetric jets

    Directory of Open Access Journals (Sweden)

    Zhenhua Wan

    2014-01-01

    Full Text Available Stabilities of supersonic jets are examined with different velocities, momentum thicknesses, and core temperatures. Amplification rates of instability waves at inlet are evaluated by linear stability theory (LST. It is found that increased velocity and core temperature would increase amplification rates substantially and such influence varies for different azimuthal wavenumbers. The most unstable modes in thin momentum thickness cases usually have higher frequencies and azimuthal wavenumbers. Mode switching is observed for low azimuthal wavenumbers, but it appears merely in high velocity cases. In addition, the results provided by linear parabolized stability equations show that the mean-flow divergence affects the spatial evolution of instability waves greatly. The most amplified instability waves globally are sometimes found to be different from that given by LST.

  4. Supersonic quasi-axisymmetric vortex breakdown

    Science.gov (United States)

    Kandil, Osama A.; Kandil, Hamdy A.; Liu, C. H.

    1991-01-01

    An extensive computational study of supersonic quasi-axisymmetric vortex breakdown in a configured circular duct is presented. The unsteady, compressible, full Navier-Stokes (NS) equations are used. The NS equations are solved for the quasi-axisymmetric flows using an implicit, upwind, flux difference splitting, finite volume scheme. The quasi-axisymmetric solutions are time accurate and are obtained by forcing the components of the flowfield vector to be equal on two axial planes, which are in close proximity of each other. The effect of Reynolds number, for laminar flows, on the evolution and persistence of vortex breakdown, is studied. Finally, the effect of swirl ration at the duct inlet is investigated.

  5. Gas turbine engine with supersonic compressor

    Science.gov (United States)

    Roberts, II, William Byron; Lawlor, Shawn P.

    2015-10-20

    A gas turbine engine having a compressor section using blades on a rotor to deliver a gas at supersonic conditions to a stator. The stator includes one or more of aerodynamic ducts that have converging and diverging portions for deceleration of the gas to subsonic conditions and to deliver a high pressure gas to combustors. The aerodynamic ducts include structures for changing the effective contraction ratio to enable starting even when designed for high pressure ratios, and structures for boundary layer control. In an embodiment, aerodynamic ducts are provided having an aspect ratio of two to one (2:1) or more, when viewed in cross-section orthogonal to flow direction at an entrance to the aerodynamic duct.

  6. Numerical study of MHD supersonic flow control

    Science.gov (United States)

    Ryakhovskiy, A. I.; Schmidt, A. A.

    2017-11-01

    Supersonic MHD flow around a blunted body with a constant external magnetic field has been simulated for a number of geometries as well as a range of the flow parameters. Solvers based on Balbas-Tadmor MHD schemes and HLLC-Roe Godunov-type method have been developed within the OpenFOAM framework. The stability of the solution varies depending on the intensity of magnetic interaction The obtained solutions show the potential of MHD flow control and provide insights into for the development of the flow control system. The analysis of the results proves the applicability of numerical schemes, that are being used in the solvers. A number of ways to improve both the mathematical model of the process and the developed solvers are proposed.

  7. Label-free colorimetric detection of mercury via Hg2+ ions-accelerated structural transformation of nanoscale metal-oxo clusters

    Science.gov (United States)

    Chen, Kun; She, Shan; Zhang, Jiangwei; Bayaguud, Aruuhan; Wei, Yongge

    2015-11-01

    Mercury and its compounds are known to be extremely toxic but widely distributed in environment. Although many works have been reported to efficiently detect mercury, development of simple and convenient sensors is still longed for quick analyzing mercury in water. In this work, a nanoscale metal-oxo cluster, (n-Bu4N)2[Mo5NaO13(OCH3)4(NO)], (MLPOM), organically-derivatized from monolacunary Lindqvist-type polyoxomolybdate, is found to specifically react with Hg2+ in methanol/water via structural transformation. The MLPOM methanol solution displays a color change from purple to brown within seconds after being mixed with an aqueous solution containing Hg2+. By comparing the structure of polyoxomolybdate before and after reaction, the color change is revealed to be the essentially structural transformation of MLPOM accelerated by Hg2+. Based on this discovery, MLPOM could be utilized as a colorimetric sensor to sense the existence of Hg2+, and a simple and label-free method is developed to selectively detect aqueous Hg2+. Furthermore, the colorimetric sensor has been applied to indicating mercury contamination in industrial sewage.

  8. Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation.

    Science.gov (United States)

    Minenkov, Yury; Bistoni, Giovanni; Riplinger, Christoph; Auer, Alexander A; Neese, Frank; Cavallo, Luigi

    2017-04-05

    In this work, we tested canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) for a set of 32 ligand exchange and association/dissociation reaction enthalpies involving ionic complexes of Li, Be, Na, Mg, Ca, Sr, Ba and Pb(ii). Two strategies were investigated: in the former, only valence electrons were included in the correlation treatment, giving rise to the computationally very efficient FC (frozen core) approach; in the latter, all non-ECP electrons were included in the correlation treatment, giving rise to the AE (all electron) approach. Apart from reactions involving Li and Be, the FC approach resulted in non-homogeneous performance. The FC approach leads to very small errors (correlation effects. These large errors are reduced to a few kcal mol -1 if the AE approach is used or the sub-valence orbitals of metals are included in the correlation treatment. On the technical side, the CCSD(T) and DLPNO-CCSD(T) results differ by a fraction of kcal mol -1 , indicating the latter method as the perfect choice when the CPU efficiency is essential. For completely black-box applications, as requested in catalysis or thermochemical calculations, we recommend the DLPNO-CCSD(T) method with all electrons that are not covered by effective core potentials included in the correlation treatment and correlation-consistent polarized core valence basis sets of cc-pwCVQZ(-PP) quality.

  9. Semiconductor color-center structure and excitation spectra: Equation-of-motion coupled-cluster description of vacancy and transition-metal defect photoluminescence

    Science.gov (United States)

    Lutz, Jesse J.; Duan, Xiaofeng F.; Burggraf, Larry W.

    2018-03-01

    Valence excitation spectra are computed for deep-center silicon-vacancy defects in 3C, 4H, and 6H silicon carbide (SiC), and comparisons are made with literature photoluminescence measurements. Optimizations of nuclear geometries surrounding the defect centers are performed within a Gaussian basis-set framework using many-body perturbation theory or density functional theory (DFT) methods, with computational expenses minimized by a QM/MM technique called SIMOMM. Vertical excitation energies are subsequently obtained by applying excitation-energy, electron-attached, and ionized equation-of-motion coupled-cluster (EOMCC) methods, where appropriate, as well as time-dependent (TD) DFT, to small models including only a few atoms adjacent to the defect center. We consider the relative quality of various EOMCC and TD-DFT methods for (i) energy-ordering potential ground states differing incrementally in charge and multiplicity, (ii) accurately reproducing experimentally measured photoluminescence peaks, and (iii) energy-ordering defects of different types occurring within a given polytype. The extensibility of this approach to transition-metal defects is also tested by applying it to silicon-substituted chromium defects in SiC and comparing with measurements. It is demonstrated that, when used in conjunction with SIMOMM-optimized geometries, EOMCC-based methods can provide a reliable prediction of the ground-state charge and multiplicity, while also giving a quantitative description of the photoluminescence spectra, accurate to within 0.1 eV of measurement for all cases considered.

  10. Co2 and Co3 Mixed Cluster Secondary Building Unit Approach toward a Three-Dimensional Metal-Organic Framework with Permanent Porosity

    Directory of Open Access Journals (Sweden)

    Meng-Yao Chao

    2018-03-01

    Full Text Available Large and permanent porosity is the primary concern when designing metal-organic frameworks (MOFs for specific applications, such as catalysis and drug delivery. In this article, we report a MOF Co11(BTB6(NO34(DEF2(H2O14 (1, H3BTB = 1,3,5-tris(4-carboxyphenylbenzene; DEF = N,N-diethylformamide via a mixed cluster secondary building unit (SBU approach. MOF 1 is sustained by a rare combination of a linear trinuclear Co3 and two types of dinuclear Co2 SBUs in a 1:2:2 ratio. These SBUs are bridged by BTB ligands to yield a three-dimensional (3D non-interpenetrated MOF as a result of the less effective packing due to the geometrically contrasting SBUs. The guest-free framework of 1 has an estimated density of 0.469 g cm−3 and exhibits a potential solvent accessible void of 69.6% of the total cell volume. The activated sample of 1 exhibits an estimated Brunauer-Emmett-Teller (BET surface area of 155 m2 g−1 and is capable of CO2 uptake of 58.61 cm3 g−1 (2.63 mmol g−1, 11.6 wt % at standard temperature and pressure in a reversible manner at 195 K, showcasing its permanent porosity.

  11. ARBITRARY INTERACTION OF PLANE SUPERSONIC FLOWS

    Directory of Open Access Journals (Sweden)

    P. V. Bulat

    2015-11-01

    Full Text Available Subject of study.We consider the Riemann problem for parameters at collision of two plane flows at a certain angle. The problem is solved in the exact statement. Most cases of interference, both stationary and non-stationary gas-dynamic discontinuities, followed by supersonic flows can be reduced to the problem of random interaction of two supersonic flows. Depending on the ratio of the parameters in the flows, outgoing discontinuities turn out to be shock waves, or rarefactionwaves. In some cases, there is no solution at all. It is important to know how to find the domain of existence for the relevant decisions, as the type of shock-wave structures in these domains is known in advance. The Riemann problem is used in numerical methods such as the method of Godunov. As a rule, approximate solution is used, known as the Osher solution, but for a number of problems with a high precision required, solution of this problem needs to be in the exact statement. Main results.Domains of existence for solutions with different types of shock-wave structure have been considered. Boundaries of existence for solutions with two outgoing shock waves are analytically defined, as well as with the outgoing shock wave and rarefaction wave. We identify the area of Mach numbers and angles at which the flows interact and there is no solution. Specific flows with two outgoing rarefaction waves are not considered. Practical significance. The results supplement interference theory of stationary gas-dynamic discontinuities and can be used to develop new methods of numerical calculation with extraction of discontinuities.

  12. THERMAL AND AERODYNAMIC PERFORMANCES OF THE SUPERSONIC MOTION

    Directory of Open Access Journals (Sweden)

    Dejan P Ninković

    2010-01-01

    Full Text Available Generally speaking, Mach number of 4 can be taken as a boundary value for transition from conditions for supersonic, into the area of hypersonic flow, distinguishing two areas: area of supersonic in which the effects of the aerodynamic heating can be neglected and the area of hypersonic, in which the thermal effects become dominant. This paper presents the effects in static and dynamic areas, as well as presentation of G.R.O.M. software for determination of the values of aerodynamic derivatives, which was developed on the basis of linearized theory of supersonic flow. Validation of developed software was carried out through different types of testing, proving its usefulness for engineering practice in the area of supersonic wing aerodynamic loading calculations, even at high Mach numbers, with dominant thermal effects.

  13. 1 Ft. x 1 Ft. Supersonic Wind Tunnel, Bldg. 37

    Data.gov (United States)

    Federal Laboratory Consortium — The 1- by 1-Foot Supersonic Wind Tunnel (1x), located in the Engine Research Building, is one of the most active test facilities at the Glenn Research Center. Used...

  14. Entropy Minimization Design Approach of Supersonic Internal Passages

    Directory of Open Access Journals (Sweden)

    Jorge Sousa

    2015-08-01

    Full Text Available Fluid machinery operating in the supersonic regime unveil avenues towards more compact technology. However, internal supersonic flows are associated with high aerodynamic and thermal penalties, which usually prevent their practical implementation. Indeed, both shock losses and the limited operational range represent particular challenges to aerodynamic designers that should be taken into account at the initial phase of the design process. This paper presents a design methodology for supersonic passages based on direct evaluations of the velocity field using the method of characteristics and computation of entropy generation across shock waves. This meshless function evaluation tool is then coupled to an optimization scheme, based on evolutionary algorithms that minimize the entropy generation across the supersonic passage. Finally, we assessed the results with 3D Reynolds Averaged Navier Stokes calculations.

  15. Direct Connect Supersonic Combustion Facility (Research Cell 22)

    Data.gov (United States)

    Federal Laboratory Consortium — Description: RC22 is a continuous-flow, direct-connect supersonic-combustion research facility that is capable of simulating flight conditions from Mach 3.0 to Mach...

  16. Numerical simulation of gap effect in supersonic flows

    Directory of Open Access Journals (Sweden)

    Song Mo

    2014-01-01

    Full Text Available The gap effect is a key factor in the design of the heat sealing in supersonic vehicles subjected to an aerodynamic heat load. Built on S-A turbulence model and Roe discrete format, the aerodynamic environment around a gap on the surface of a supersonic aircraft was simulated by the finite volume method. As the presented results indicate, the gap effect depends not only on the attack angle, but also on the Mach number.

  17. Growing quasi-modes in dynamics of supersonic collapse

    International Nuclear Information System (INIS)

    Malkin, V.M.; Khudik, V.N.

    1989-01-01

    The hypothesis of globally stable self-similar regimes existence for supersonic Langmuir collapse plays a significant role in the attempts to construct a theory of strong Langmuir turbulence. A possibility for destruction of the stable against infinitely small perturbations self-similar regime of supersonic collapse by growing quasi-modes is demonstrated via the numerical solution of Cauchi problem for Zakharov equations. The quantitative criterion for the destruction of self-similar regimes is formulated. 9 refs.; 5 figs

  18. Numerical simulation and physical aspects of supersonic vortex breakdown

    Science.gov (United States)

    Liu, C. H.; Kandil, O. A.; Kandil, H. A.

    1993-01-01

    Existing numerical simulations and physical aspects of subsonic and supersonic vortex-breakdown modes are reviewed. The solution to the problem of supersonic vortex breakdown is emphasized in this paper and carried out with the full Navier-Stokes equations for compressible flows. Numerical simulations of vortex-breakdown modes are presented in bounded and unbounded domains. The effects of different types of downstream-exit boundary conditions are studied and discussed.

  19. The nanocoherer: an electrically and mechanically resettable resistive switching device based on gold clusters assembled on paper

    Science.gov (United States)

    Minnai, Chloé; Mirigliano, Matteo; Brown, Simon A.; Milani, Paolo

    2018-03-01

    We report the realization of a resettable resistive switching device based on a nanostructured film fabricated by supersonic cluster beam deposition of gold clusters on plain paper substrates. Through the application of suitable voltage ramps, we obtain, in the same device, either a complex pattern of resistive switchings, or reproducible and stable switchings between low resistance and high resistance states, with an amplitude up to five orders of magnitude. Our device retains a state of internal resistance following the history of the applied voltage similar to that reported for memristors. The two different switching regimes in the same device are both stable, the transition between them is reversible, and it can be controlled by applying voltage ramps or by mechanical deformation of the substrate. The device behavior can be related to the formation, growth and breaking of junctions between the loosely aggregated gold clusters forming the nanostructured films. The fact that our cluster-assembled device is mechanically resettable suggests that it can be considered as the analog of the coherer: a switching device based on metallic powders used for the first radio communication system.

  20. Supersonic beams at high particle densities: model description beyond the ideal gas approximation.

    Science.gov (United States)

    Christen, Wolfgang; Rademann, Klaus; Even, Uzi

    2010-10-28

    Supersonic molecular beams constitute a very powerful technique in modern chemical physics. They offer several unique features such as a directed, collision-free flow of particles, very high luminosity, and an unsurpassed strong adiabatic cooling during the jet expansion. While it is generally recognized that their maximum flow velocity depends on the molecular weight and the temperature of the working fluid in the stagnation reservoir, not a lot is known on the effects of elevated particle densities. Frequently, the characteristics of supersonic beams are treated in diverse approximations of an ideal gas expansion. In these simplified model descriptions, the real gas character of fluid systems is ignored, although particle associations are responsible for fundamental processes such as the formation of clusters, both in the reservoir at increased densities and during the jet expansion. In this contribution, the various assumptions of ideal gas treatments of supersonic beams and their shortcomings are reviewed. It is shown in detail that a straightforward thermodynamic approach considering the initial and final enthalpy is capable of characterizing the terminal mean beam velocity, even at the liquid-vapor phase boundary and the critical point. Fluid properties are obtained using the most accurate equations of state available at present. This procedure provides the opportunity to naturally include the dramatic effects of nonideal gas behavior for a large variety of fluid systems. Besides the prediction of the terminal flow velocity, thermodynamic models of isentropic jet expansions permit an estimate of the upper limit of the beam temperature and the amount of condensation in the beam. These descriptions can even be extended to include spinodal decomposition processes, thus providing a generally applicable tool for investigating the two-phase region of high supersaturations not easily accessible otherwise.

  1. Two-temperature hydrodynamic expansion and coupling of strong elastic shock with supersonic melting front produced by ultrashort laser pulse

    International Nuclear Information System (INIS)

    Inogamov, Nail A; Khokhlov, Viktor A; Zhakhovsky, Vasily V; Khishchenko, Konstantin V; Demaske, Brian J; Oleynik, Ivan I

    2014-01-01

    Ultrafast processes, including nonmonotonic expansion of material into vacuum, supersonic melting and generation of super-elastic shock wave, in a surface layer of metal irradiated by an ultrashort laser pulse are discussed. In addition to the well-established two-temperature (2T) evolution of heated layer a new effect of electron pressure gradient on early stage of material expansion is studied. It is shown that the expanding material experiences an unexpected jump in flow velocity in a place where stress exceeds the effective tensile strength provided by used EoS of material. Another 2T effect is that supersonic propagation of homogeneous melting front results in distortion of spatial profile of ion temperature, which later imprints on ion pressure profile transforming in a super-elastic shock wave with time.

  2. Study on thermal-hydraulic behavior in supersonic steam injector

    International Nuclear Information System (INIS)

    Abe, Yutaka; Fukuichi, Akira; Kawamoto, Yujiro; Iwaki, Chikako; Narabayashi, Tadashi; Mori, Michitsugu; Ohmori, Shuichi

    2007-01-01

    Supersonic steam injector is the one of the most possible devices aiming at simplifying system and improving the safety and the credibility for next-generation nuclear reactor systems. The supersonic steam injector has dual functions of a passive jet pump without rotating machine and a compact and high efficiency heat exchanger, because it is operated by the direct contact condensation between supersonic steam and subcooled water jet. It is necessary to clarify the flow behavior in the supersonic steam injector which is governed by the complicated turbulent flow with a great shear stress of supersonic steam. However, in previous study, there is little study about the turbulent heat transfer and flow behavior under such a great shear stress at the gas-liquid interface. In the present study, turbulent flow behavior including the effect of the interface between water jet and supersonic steam is developed based on the eddy viscosity model. Radial velocity distributions and the turbulent heat transfer are calculated with the model. The calculation results are compared with the experimental results done with the transparent steam injector. (author)

  3. Nitric Oxide Reduction by Carbon Monoxide over Supported Hexaruthenium Cluster Catalysts. 1. The Active Site Structure That Depends on Supporting Metal Oxide and Catalytic Reaction Conditions.

    Science.gov (United States)

    Minato, Taketoshi; Izumi, Yasuo; Aika, Ken-Ichi; Ishiguro, Atsushi; Nakajima, Takayuki; Wakatsuki, Yasuo

    2003-08-28

    Ruthenium site structures supported on metal oxide surfaces were designed by reacting organometallic Ru cluster [Ru6C(CO)16](2-) or [Ru6(CO)18](2-) with various metal oxides, TiO2, Al2O3, MgO, and SiO2. The surface Ru site structure, formed under various catalyst preparation and reaction conditions, was investigated by the Ru K-edge extended X-ray absorption fine structure (EXAFS). Samples of [Ru6C(CO)16](2-)/TiO2(anatase) and [Ru6C(CO)16](2-)/TiO2(rutile) were found to retain the original Ru6C framework when heated in the presence of NO (2.0 kPa) or NO (2.0 kPa) + CO (2.0 kPa) at 423 K, i.e., catalytic reaction conditions for NO decomposition. At 523 K, the Ru-Ru bonds of the Ru6C framework were cleaved by the attack of NO. In contrast, the Ru site became spontaneously dispersed over TiO2 (anatase). When being supported over TiO2 (mesoporous), MgO, or Al2O3, the Ru6C framework split into fragments in gaseous NO or NO + CO even at 423 K. The Ru6 framework of [Ru6(CO)18](2-) was found to break easily into smaller ensembles in the presence of NO and/or CO at 423 K on support. Taking into consideration the realistic environments in which these catalysts will be used, we also examined the effect of water and oxygen. When water was introduced to the sample [Ru6C(CO)16](2-)/TiO2(anatase) at 423 K, it did not have any effects on the stabilized Ru6C framework structure. In the presence of oxygen gas, however, the Ru hexanuclear structure decomposed into isolated Ru cations bound to surface oxygen atoms of TiO2 (anatase).

  4. Cluster headache

    Science.gov (United States)

    Histamine headache; Headache - histamine; Migrainous neuralgia; Headache - cluster; Horton's headache; Vascular headache - cluster ... Doctors do not know exactly what causes cluster headaches. They ... (chemical in the body released during an allergic response) or ...

  5. Polarizability effect in metallic clusters

    Indian Academy of Sciences (India)

    significance of which has been emphasized by some authors [11,16-19]. The electrons are used as a ... The shell structures provide one to eliminate fragmentation contribution from the higher mass ... Accounting for theoretical studies [16–19] ...

  6. Photoelectron spectroscopy of supersonic molecular beams

    International Nuclear Information System (INIS)

    Pollard, J.E.

    1982-05-01

    A new technique for performing high resolution molecular photoelectron spectroscopy is described, beginning with its conceptual development, through the construction of a prototypal apparatus, to the initial applications on a particularly favorable molecular system. The distinguishing features of this technique are: (1) the introduction of the sample in the form of a collimated supersonic molecular beam; and (2) the use of an electrostatic deflection energy analyzer which is carefully optimized in terms of sensitivity and resolution. This combination makes it possible to obtain photoelectron spectra at a new level of detail for many small molecules. Three experiments are described which rely on the capability to perform rotationally-resolved photoelectron spectroscopy on the hydrogen molecule and its isotopes. The first is a measurement of the ionic vibrational and rotational spectroscopic constants and the vibrationally-selected photoionization cross sections. The second is a determination of the photoelectron asymmetry parameter, β, for selected rotational transitions. The third is an investigation of the rotational relaxation in a free jet expansion, using photoelectron spectroscopy as a probe of the rotational state population distributions. In the closing chapter an assessment is made of the successes and limitations of the technique, and an indication is given of areas for further improvement in future spectrometers

  7. Coherent structures in a supersonic complex nozzle

    Science.gov (United States)

    Magstadt, Andrew; Berry, Matthew; Glauser, Mark

    2016-11-01

    The jet flow from a complex supersonic nozzle is studied through experimental measurements. The nozzle's geometry is motivated by future engine designs for high-performance civilian and military aircraft. This rectangular jet has a single plane of symmetry, an additional shear layer (referred to as a wall jet), and an aft deck representative of airframe integration. The core flow operates at a Mach number of Mj , c = 1 . 6 , and the wall jet is choked (Mj , w = 1 . 0). This high Reynolds number jet flow is comprised of intense turbulence levels, an intricate shock structure, shear and boundary layers, and powerful corner vortices. In the present study, stereo PIV measurements are simultaneously sampled with high-speed pressure measurements, which are embedded in the aft deck, and far-field acoustics in the anechoic chamber at Syracuse University. Time-resolved schlieren measurements have indicated the existence of strong flow events at high frequencies, at a Strouhal number of St = 3 . 4 . These appear to result from von Kàrmàn vortex shedding within the nozzle and pervade the entire flow and acoustic domain. Proper orthogonal decomposition is applied on the current data to identify coherent structures in the jet and study the influence of this vortex street. AFOSR Turbulence and Transition Program (Grant No. FA9550-15-1-0435) with program managers Dr. I. Leyva and Dr. R. Ponnappan.

  8. Photoelectron spectroscopy of supersonic molecular beams

    International Nuclear Information System (INIS)

    Pollard, J.E.; Trevor, D.J.; Lee, Y.T.; Shirley, D.A.

    1981-01-01

    A high-resolution photoelectron spectrometer which uses molecular beam sampling is described. Photons from a rare-gas resonance lamp or UV laser are crossed with the beam from a differentially pumped supersonic nozzle source. The resulting photoelectrons are collected by an electrostatic analyzer of a unique design consisting of a 90 0 spherical sector preanalyzer, a system of lenses, and a 180 0 hemispherical deflector. A multichannel detection system based on dual microchannel plates with a resistive anode position encoder provides an increase in counting efficiency by a factor of 12 over the equivalent single channel detector. The apparatus has demonstrated an instrumental resolution of better than 10 meV FWHM, limited largely by the photon source linewidth. A quadrupole mass spectrometer is used to characterize the composition of the molecular beam. Extensive differential pumping is provided to protect the critical surfaces of the analyzer and mass spectrometer from contamination. Because of the near elimination of Doppler and rotational broadenings, the practical resolution is the highest yet obtained in molecular PES

  9. Molecular description of steady supersonic free jets

    Science.gov (United States)

    Montero, S.

    2017-09-01

    A detailed analysis of the non-local thermal equilibrium (n-LTE) problem in the paraxial zone of silence of supersonic free jets is reported. The study is based on a hybrid approach that combines Navier-Stokes equations with a kinetic equation derived from the generalized Boltzmann (Waldmann-Snider) equation. The resulting system is solved for those flow quantities not easily amenable to experimental measure (translational temperature, flow velocity, and entropy) in terms of the quantities that can be measured accurately (distance, number density, population of rotational states, and their gradients). The reported solutions are essentially exact and are formulated in terms of macroscopic quantities, as well as in terms of elementary collision processes. Emphasis is made on the influence of dissipative effects onto the flow (viscous and diabatic) and of the breakdown of thermal equilibrium onto the evolution of entropy and translational temperature. The influence of inelastic collisions onto these effects is analysed in depth. The reported equations are aimed at optimizing the experimental knowledge of the n-LTE problem and its quantitative interpretation in terms of state-to-state rates for inelastic collisions.

  10. On the calculation of the energies of dissociation, cohesion, vacancy formation, electron attachment, and the ionization potential of small metallic clusters containing a monovacancy

    Science.gov (United States)

    Pogosov, V. V.; Reva, V. I.

    2017-09-01

    In terms of the model of stable jellium, self-consistent calculations of spatial distributions of electrons and potentials, as well as of energies of dissociation, cohesion, vacancy formation, electron attachment, and ionization potentials of solid clusters of Mg N , Li N (with N ≤ 254 ) and of clusters containing a vacancy ( N ≥ 12) have been performed. The contribution of a monovacancy to the energy of the cluster and size dependences of its characteristics and of asymptotics have been discussed. Calculations have been performed using a SKIT-3 cluster at Glushkov Institute of Cybernetics, National Academy of Sciences, Ukraine (Rpeak = 7.4 Tflops).

  11. System design overview of JAXA small supersonic experimental airplane (NEXST-1)

    OpenAIRE

    Takami, Hikaru; 高見 光

    2007-01-01

    The system of JAXA small supersonic experimental airplane (NEXST-1: National EXperimental Supersonic Transport-1) has been briefly explained. Some design problems that the designers have encountered have also been briefly explained.

  12. Aerodynamic optimization of supersonic compressor cascade using differential evolution on GPU

    Energy Technology Data Exchange (ETDEWEB)

    Aissa, Mohamed Hasanine; Verstraete, Tom [Von Karman Institute for Fluid Dynamics (VKI) 1640 Sint-Genesius-Rode (Belgium); Vuik, Cornelis [Delft University of Technology 2628 CD Delft (Netherlands)

    2016-06-08

    Differential Evolution (DE) is a powerful stochastic optimization method. Compared to gradient-based algorithms, DE is able to avoid local minima but requires at the same time more function evaluations. In turbomachinery applications, function evaluations are performed with time-consuming CFD simulation, which results in a long, non affordable, design cycle. Modern High Performance Computing systems, especially Graphic Processing Units (GPUs), are able to alleviate this inconvenience by accelerating the design evaluation itself. In this work we present a validated CFD Solver running on GPUs, able to accelerate the design evaluation and thus the entire design process. An achieved speedup of 20x to 30x enabled the DE algorithm to run on a high-end computer instead of a costly large cluster. The GPU-enhanced DE was used to optimize the aerodynamics of a supersonic compressor cascade, achieving an aerodynamic loss minimization of 20%.

  13. Particle coagulation in molten metal based on three-dimensional analysis of cluster by x-ray micro-computer tomography (CT)

    International Nuclear Information System (INIS)

    Li, Tao; Shimasaki, Shin-ichi; Taniguchi, Shoji; Narita, Shunsuke; Uesugi, Kentaro

    2013-01-01

    Particle coagulation plays a key role in steel refining process to remove inclusions. Many research works focus on the behaviors of particle coagulation. To reveal its mechanism water model experiments have been performed by some researchers including the authors' group. In this paper, experiments of particle coagulation were carried out with molten Al including SiC particles in a mechanically agitated crucible with two baffles. Particle coagulation and formation of clusters were observed on the microscopy images of as-polished samples. Three-dimensional (3D) analysis of the clusters in solidified Al was implemented by X-ray micro CT available at SPring-8. The methods to distinguish clusters on two-dimensional (2D) cross-sectional images were discussed, which were established in the previous works by the present authors' group. The characteristics of the 3D SiC clusters and their 2D cross-sections were analyzed. The statistical ranges of the parameters for 2D clusters were used as criterions to distinguish the clusters on 2D microscopy images from the as-polished samples. The kinetics of SiC particle coagulation was studied by the measured cluster number density and size using our program to distinguish cluster in 2D cross-sectional images according to 3D information (DC-2D-3D). The calculated and experimental results of the SiC particle coagulation in molten Al agree well with each other. (author)

  14. Design and capabilities of an experimental setup based on magnetron sputtering for formation and deposition of size-selected metal clusters on ultra-clean surfaces

    DEFF Research Database (Denmark)

    Hartmann, Hannes; Popok, Vladimir; Barke, Ingo

    2012-01-01

    The design and performance of an experimental setup utilizing a magnetron sputtering source for production of beams of ionized size-selected clusters for deposition in ultra-high vacuum is described. For the case of copper cluster formation the influence of different source parameters is studied...

  15. Summary of the First High-Altitude, Supersonic Flight Dynamics Test for the Low-Density Supersonic Decelerator Project

    Science.gov (United States)

    Clark, Ian G.; Adler, Mark; Manning, Rob

    2015-01-01

    NASA's Low-Density Supersonic Decelerator Project is developing and testing the next generation of supersonic aerodynamic decelerators for planetary entry. A key element of that development is the testing of full-scale articles in conditions relevant to their intended use, primarily the tenuous Mars atmosphere. To achieve this testing, the LDSD project developed a test architecture similar to that used by the Viking Project in the early 1970's for the qualification of their supersonic parachute. A large, helium filled scientific balloon is used to hoist a 4.7 m blunt body test vehicle to an altitude of approximately 32 kilometers. The test vehicle is released from the balloon, spun up for gyroscopic stability, and accelerated to over four times the speed of sound and an altitude of 50 kilometers using a large solid rocket motor. Once at those conditions, the vehicle is despun and the test period begins. The first flight of this architecture occurred on June 28th of 2014. Though primarily a shake out flight of the new test system, the flight was also able to achieve an early test of two of the LDSD technologies, a large 6 m diameter Supersonic Inflatable Aerodynamic Decelerator (SIAD) and a large, 30.5 m nominal diameter supersonic parachute. This paper summarizes this first flight.

  16. Dual-Pump CARS Development and Application to Supersonic Combustion

    Science.gov (United States)

    Magnotti, Gaetano; Cutler, Andrew D.

    2012-01-01

    A dual-pump Coherent Anti-Stokes Raman Spectroscopy (CARS) instrument has been developed to obtain simultaneous measurements of temperature and absolute mole fractions of N2, O2 and H2 in supersonic combustion and generate databases for validation and development of CFD codes. Issues that compromised previous attempts, such as beam steering and high irradiance perturbation effects, have been alleviated or avoided. Improvements in instrument precision and accuracy have been achieved. An axis-symmetric supersonic combusting coaxial jet facility has been developed to provide a simple, yet suitable flow to CFD modelers. Approximately one million dual-pump CARS single shots have been collected in the supersonic jet for varying values of flight and exit Mach numbers at several locations. Data have been acquired with a H2 co-flow (combustion case) or a N2 co-flow (mixing case). Results are presented and the effects of the compressibility and of the heat release are discussed.

  17. Flow Visualization in Supersonic Turbulent Boundary Layers.

    Science.gov (United States)

    Smith, Michael Wayne

    This thesis is a collection of novel flow visualizations of two different flat-plate, zero pressure gradient, supersonic, turbulent boundary layers (M = 2.8, Re _theta ~ 82,000, and M = 2.5, Re_ theta ~ 25,000, respectively). The physics of supersonic shear flows has recently drawn increasing attention with the renewed interest in flight at super and hypersonic speeds. This work was driven by the belief that the study of organized, Reynolds -stress producing turbulence structures will lead to improved techniques for the modelling and control of high-speed boundary layers. Although flow-visualization is often thought of as a tool for providing qualitative information about complex flow fields, in this thesis an emphasis is placed on deriving quantitative results from image data whenever possible. Three visualization techniques were applied--'selective cut-off' schlieren, droplet seeding, and Rayleigh scattering. Two experiments employed 'selective cut-off' schlieren. In the first, high-speed movies (40,000 fps) were made of strong density gradient fronts leaning downstream at between 30^circ and 60^ circ and travelling at about 0.9U _infty. In the second experiment, the same fronts were detected with hot-wires and imaged in real time, thus allowing the examination of the density gradient fronts and their associated single-point mass -flux signals. Two experiments employed droplet seeding. In both experiments, the boundary layer was seeded by injecting a stream of acetone through a single point in the wall. The acetone is atomized by the high shear at the wall into a 'fog' of tiny (~3.5mu m) droplets. In the first droplet experiment, the fog was illuminated with copper-vapor laser sheets of various orientations. The copper vapor laser pulses 'froze' the fog motion, revealing a variety of organized turbulence structures, some with characteristic downstream inclinations, others with large-scale roll-up on the scale of delta. In the second droplet experiment, high

  18. Flowfield Behavior of Supersonic Impinging Jets

    Science.gov (United States)

    Iyer, K. G.; Alvi, F. S.

    1998-11-01

    A detailed study is being conducted which examines the behavior of normally impinging, supersonic jets, issuing from axisymmetric a Mach 1.5 C-D and a sonic nozzle. Our goal is to understand the physics of this flowfield (commonly observed in STOVL aircraft) and its influence on the acoustic and aerodynamic loading on the ground plane and the airframe. The airframe is simulated by a circular disc ('lift' plate) with an annular hole from which the jet is issued. Tests are carried out for a wide range of pressure ratios and the ground plane distance is varied from 1.5 to 60 nozzle diameters. Flowfield measurements include Particle Image Velocimetry (PIV) and schlieren/shadowgraph visualization. Surface measurements on the ground and lift plates include mean and unsteady surface pressure distributions and the surface streamline visualization. Near-field acoustic measurements using a microphone are also obtained. For certain cases, the PIV measurements -- first of their kind, to our knowledge -- clearly show the presence of large-scale coherent turbulent structures which, upon jet impingement, propagate into the resulting wall jet. These structures are believed to generate very high unsteady pressure loads on the ground plane thus leading to ground erosion. They are also suspected to be the source of acoustic waves which lead to a feedback loop causing violent oscillations of the primary jet and can result in increased acoustic loading and subsequent damage to the aircraft. As a result of this detailed study over a wide parametric space, we hope to gain a much better understanding of the physical mechanisms governing this complex flow.

  19. Wave induced supersonic rotation in mirrors

    Science.gov (United States)

    Fetterman, Abraham

    2010-11-01

    Wave-particle interactions in ExB supersonically rotating plasmas feature an unusual effect: particles are diffused by waves in both potential energy and kinetic energy [1]. This wave-particle interaction generalizes the alpha channeling effect, in which radio frequency waves are used to remove alpha particles collisionlessly at low energy. In rotating plasmas, the alpha particles may be removed at low energy through the loss cone, and the energy lost may be transferred to the radial electric field. This eliminates the need for electrodes in the mirror throat, which have presented serious technical issues in past rotating plasma devices. A particularly simple way to achieve this effect is to use a high azimuthal mode number perturbation on the magnetic field [2]. In the rotating frame, this perturbation is seen as a wave near the alpha particle cyclotron harmonic, and can break the azimuthal symmetry and magnetic moment conservation without changing the particle's total energy. The particle may exit if it reduces its kinetic energy and becomes more trapped if it gains kinetic energy, leading to a steady state current that maintains the field. Simulations of single particles in rotating mirrors show that a stationary wave can extract enough energy from alpha particles for a reactor to be self-sustaining. Rotation can also be sustained by waves in plasmas without a kinetic energy source. This type of wave has been considered for plasma centrifuges used for isotope separation [3]. [4pt] [1] A. J. Fetterman and N. J. Fisch, Phys Rev Lett 101, 205003 (2008). [0pt] [2] A. J. Fetterman and N. J. Fisch, Phys. Plasmas 17, 042112 (2010). [0pt] [3] A. J. Fetterman and N. J. Fisch, Plasma Sources Sci. Tech. 18, 045003 (2009).

  20. 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...

  1. Tangential inlet supersonic separators: a novel apparatus for gas purification

    DEFF Research Database (Denmark)

    Wen, Chuang; Walther, Jens Honore; Yang, Yan

    2016-01-01

    A novel supersonic separator with a tangential inlet is designed to remove the condensable components from gas mixtures. The dynamic parameters of natural gas in the supersonic separation process are numerically calculated using the Reynolds stress turbulence model with the Peng-Robinson real gas...... be generated by the tangential inlet, and it increases to the maximum of 200 m/s at the nozzle throat due to decrease of the nozzle area of the converging part. The tangential velocity can maintain the value of about 160 m/s at the nozzle exit, and correspondingly generates the centrifugal acceleration of 3...

  2. Two-dimensional unsteady lift problems in supersonic flight

    Science.gov (United States)

    Heaslet, Max A; Lomax, Harvard

    1949-01-01

    The variation of pressure distribution is calculated for a two-dimensional supersonic airfoil either experiencing a sudden angle-of-attack change or entering a sharp-edge gust. From these pressure distributions the indicial lift functions applicable to unsteady lift problems are determined for two cases. Results are presented which permit the determination of maximum increment in lift coefficient attained by an unrestrained airfoil during its flight through a gust. As an application of these results, the minimum altitude for safe flight through a specific gust is calculated for a particular supersonic wing of given strength and wing loading.

  3. Advanced supersonic technology and its implications for the future

    Science.gov (United States)

    Driver, C.

    1979-01-01

    A brief overview of the NASA Supersonic Cruise Research (SCR) program is presented. The SCR program has identified significant improvements in the areas of aerodynamics, structures, propulsion, noise reduction, takeoff and landing procedures, and advanced configuration concepts. These improvements tend to overcome most of the problems which led to the cancellation of the National SST program. They offer the promise of an advanced SST family of aircraft which are environmentally acceptable, have flexible range-payload capability, and are economically viable. The areas of technology addressed by the SCR program have direct application to advanced military aircraft and to supersonic executive aircraft.

  4. Investigation of supersonic jets shock-wave structure

    Science.gov (United States)

    Zapryagaev, V. I.; Gubanov, D. A.; Kavun, I. N.; Kiselev, N. P.; Kundasev, S. G.; Pivovarov, A. A.

    2017-10-01

    The paper presents an experimental studies overview of the free supersonic jet flow structure Ma = 1.0, Npr = 5, exhausting from a convergent profiled nozzle into a ambient space. Also was observed the jets in the presence of artificial streamwise vortices created by chevrons and microjets located on the nozzle exit. The technique of experimental investigation, schlieren-photographs and schemes of supersonic jets, and Pitot pressure distributions, are presented. A significant effect of vortex generators on the shock-wave structure of the flow is shown.

  5. Erosion of graphite surface exposed to hot supersonic hydrogen gas

    Science.gov (United States)

    Sharma, O. P.

    1972-01-01

    A theoretical model based on laminar boundary layer flow equations was developed to predict the erosion rate of a graphite (AGCarb-101) surface exposed to a hot supersonic stream of hydrogen gas. The supersonic flow in the nozzle outside the boundary layer formed over the surface of the specimen was determined by assuming one-dimensional isentropic conditions. An overall surface reaction rate expression based on experimental studies was used to describe the interaction of hydrogen with graphite. A satisfactory agreement was found between the results of the computation, and the available experimental data. Some shortcomings of the model and further possible improvements are discussed.

  6. On the Comparison of the Long Penetration Mode (LPM) Supersonic Counterflowing Jet to the Supersonic Screech Jet

    Science.gov (United States)

    Farr, Rebecca A.; Chang, Chau-Lyan; Jones, Jess H.; Dougherty, N. Sam

    2015-01-01

    Classic tonal screech noise created by under-expanded supersonic jets; Long Penetration Mode (LPM) supersonic phenomenon -Under-expanded counter-flowing jet in supersonic free stream -Demonstrated in several wind tunnel tests -Modeled in several computational fluid dynamics (CFD) simulations; Discussion of LPM acoustics feedback and fluid interactions -Analogous to the aero-acoustics interactions seen in screech jets; Lessons Learned: Applying certain methodologies to LPM -Developed and successfully demonstrated in the study of screech jets -Discussion of mechanically induced excitation in fluid oscillators in general; Conclusions -Large body of work done on jet screech, other aero-acoustic phenomenacan have direct application to the study and applications of LPM cold flow jets

  7. Cluster management.

    Science.gov (United States)

    Katz, R

    1992-11-01

    Cluster management is a management model that fosters decentralization of management, develops leadership potential of staff, and creates ownership of unit-based goals. Unlike shared governance models, there is no formal structure created by committees and it is less threatening for managers. There are two parts to the cluster management model. One is the formation of cluster groups, consisting of all staff and facilitated by a cluster leader. The cluster groups function for communication and problem-solving. The second part of the cluster management model is the creation of task forces. These task forces are designed to work on short-term goals, usually in response to solving one of the unit's goals. Sometimes the task forces are used for quality improvement or system problems. Clusters are groups of not more than five or six staff members, facilitated by a cluster leader. A cluster is made up of individuals who work the same shift. For example, people with job titles who work days would be in a cluster. There would be registered nurses, licensed practical nurses, nursing assistants, and unit clerks in the cluster. The cluster leader is chosen by the manager based on certain criteria and is trained for this specialized role. The concept of cluster management, criteria for choosing leaders, training for leaders, using cluster groups to solve quality improvement issues, and the learning process necessary for manager support are described.

  8. Experimental study on electrostatic guiding of supersonic D2O molecular beam with two charged wires

    International Nuclear Information System (INIS)

    Yin Yaling; Xia Yong; Chen Haibo; Yin Jianping

    2007-01-01

    We demonstrate the guiding of a supersonic heavy-water (D 2 O) molecular beam using a hollow electrostatic field generated by the combination of two parallel charged-wires and two grounded metal-plates, and report some new and preliminary experimental results. In the experiment, we detect the guiding signals by using the method of time-of-flight mass spectrum and study the dependence of the relative transmission of the beam guide on the guiding voltage. Our study shows that the relative transmission of the beam guide is increased linearly with increasing guiding voltage V guid , and the number of the guided D 2 O molecules is at least increased by 89.4% when the guiding voltage is +20.0 kV. Finally, some potential applications of our guiding scheme in the molecule optics are briefly discussed. (authors)

  9. Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation

    KAUST Repository

    Minenkov, Yury; Bistoni, Giovanni; Riplinger, Christoph; Auer, Alexander A.; Neese, Frank; Cavallo, Luigi

    2017-01-01

    In this work, we tested canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) for a set of 32 ligand exchange and association/dissociation reaction enthalpies involving ionic complexes

  10. On interaction of femtosecond laser pulses with cluster targets

    International Nuclear Information System (INIS)

    Skobelev, I.Yu.; Faenov, A.Ya.; Magunov, A.I.

    2002-01-01

    The clusters heating through the femtosecond laser pulses is theoretically and experimentally studied. Both the process of the cluster target formation and results of the cluster plasma experimental studies through the emission X-ray spectroscopy methods are considered. The numerical model of clusters formation in the supersonic gaseous jet is proposed. It is shown that detailed studies on the two-phase gas-dynamic processes in the nozzle, forming the jet, make it possible to obtain spatial distributions of all cluster parameters, necessary for correct calculations of the clusters. The simple physical model of the plasma formation through the femtosecond laser method is proposed. It is shown that comparison of the observed X-ray spectra with the results of the detailed ion kinetics calculations, make it possible to determine the basic parameters of the formed plasma [ru

  11. Computer simulation on generation of nitrogen clusters

    International Nuclear Information System (INIS)

    Yano, Katsuki

    1975-01-01

    Numerical calculations were made for supersonic flow of nitrogen gas accompanied by homogeneous condensation through a nozzle. It was demonstrated that nitrogen clusters are generated in a nozzle and, by comparing the experimental results, the surface tension of the clusters was obtained at 0.68 sigmasub(infinity) and the condensation coefficient at 0.1--0.2, where sigmasub(infinity) is the surface tension of plane surface of liquid nitrogen. Numerical results calculated with the above values show that large clusters are produced under conditions of high degree of saturation and high temperature in a gas reservoir, and also when a nozzle with small open angle and/or large throat is used. These results agree well with the experimental results. (auth.)

  12. Intensities and cross-sections of Ar clusters in a molecular beam, ch. 3

    International Nuclear Information System (INIS)

    Deursen, A.P.J. van; Lumig, A. van; Reuss, J.

    1976-01-01

    Ar-cluster beams were produced by supersonic expansion under various source conditions. The experimental intensities have been scaled such that universal curves are obtained, up to moderate source pressures. The ratio of dimer/monomer cross-sections has been determined. (Auth.)

  13. Commercial Supersonics Technology Project - Status of Airport Noise

    Science.gov (United States)

    Bridges, James

    2016-01-01

    The Commercial Supersonic Technology Project has been developing databases, computational tools, and system models to prepare for a level 1 milestone, the Low Noise Propulsion Tech Challenge, to be delivered Sept 2016. Steps taken to prepare for the final validation test are given, including system analysis, code validation, and risk reduction testing.

  14. Highly Supersonic Ion Pulses in a Collisionless Magnetized Plasma

    DEFF Research Database (Denmark)

    Juul Rasmussen, Jens; Schrittwieser, R.

    1982-01-01

    The initial transient response of a collisionless plasma to a high positive voltage step is investigated. Four different pulses are observed. An electron plasma wave pulse is followed by an ion burst. The latter is overtaken and absorbed by a highly supersonic ion pulse. Thereafter, an ion...

  15. Commercial supersonic flight; the past and the future

    NARCIS (Netherlands)

    Van Moorselaar, M.

    2013-01-01

    Contemporary world is all about going faster than ever before. Various communication technologies allow us to interact and trade almost instantly with the entire world. Computers are faster than ever before. One thing, however, has slowed down, the speed at which we travel. Supersonic travel is no

  16. Conservation of power of the supersonic acoustic intensity

    DEFF Research Database (Denmark)

    Fernandez Grande, Efren; Jacobsen, Finn

    2014-01-01

    The supersonic intensity is a quantity that represents the net acoustic output that a source couples into the medium; it can be regarded as a spatially low-pass filtered version of the active intensity. This spatial filtering can lead to significant error due to spatial truncation. In this paper,...

  17. A note on supersonic flow control with nanosecond plasma actuator

    Science.gov (United States)

    Zheng, J. G.; Cui, Y. D.; Li, J.; Khoo, B. C.

    2018-04-01

    A concept study on supersonic flow control using nanosecond pulsed plasma actuator is conducted by means of numerical simulation. The nanosecond plasma discharge is characterized by the generation of a micro-shock wave in ambient air and a residual heat in the discharge volume arising from the rapid heating of near-surface gas by the quick discharge. The residual heat has been found to be essential for the flow separation control over aerodynamic bodies like airfoil and backward-facing step. In this study, novel experiment is designed to utilize the other flow feature from discharge, i.e., instant shock wave, to control supersonic flow through shock-shock interaction. Both bow shock in front of a blunt body and attached shock anchored at the tip of supersonic projectile are manipulated via the discharged-induced shock wave in an appropriate manner. It is observed that drag on the blunt body is reduced appreciably. Meanwhile, a lateral force on sharp-edged projectile is produced, which can steer the body and give it an effective angle of attack. This opens a promising possibility for extending the applicability of this flow control technique in supersonic flow regime.

  18. A study of air breathing rockets. 3: Supersonic mode combustors

    Science.gov (United States)

    Masuya, G.; Chinzel, N.; Kudo, K.; Murakami, A.; Komuro, T.; Ishii, S.

    An experimental study was made on supersonic mode combustors of an air breathing rocket engine. Supersonic streams of room-temperature air and hot fuel-rich rocket exhaust were coaxially mixed and burned in a concially diverging duct of 2 deg half-angle. The effect of air inlet Mach number and excess air ratio was investigated. Axial wall pressure distribution was measured to calculate one dimensional change of Mach number and stagnation temperature. Calculated results showed that supersonic combustion occurred in the duct. At the exit of the duct, gas sampling and Pitot pressure measurement was made, from which radial distributions of various properties were deduced. The distribution of mass fraction of elements from rocket exhaust showed poor mixing performance in the supersonic mode combustors compared with the previously investigated cylindrical subsonic mode combustors. Secondary combustion efficiency correlated well with the centerline mixing parameter, but not with Annushkin's non-dimensional combustor length. No major effect of air inlet Mach number or excess air ratio was seen within the range of conditions under which the experiment was conducted.

  19. Advanced supersonic propulsion study. [with emphasis on noise level reduction

    Science.gov (United States)

    Sabatella, J. A. (Editor)

    1974-01-01

    A study was conducted to determine the promising propulsion systems for advanced supersonic transport application, and to identify the critical propulsion technology requirements. It is shown that noise constraints have a major effect on the selection of the various engine types and cycle parameters. Several promising advanced propulsion systems were identified which show the potential of achieving lower levels of sideline jet noise than the first generation supersonic transport systems. The non-afterburning turbojet engine, utilizing a very high level of jet suppression, shows the potential to achieve FAR 36 noise level. The duct-heating turbofan with a low level of jet suppression is the most attractive engine for noise levels from FAR 36 to FAR 36 minus 5 EPNdb, and some series/parallel variable cycle engines show the potential of achieving noise levels down to FAR 36 minus 10 EPNdb with moderate additional penalty. The study also shows that an advanced supersonic commercial transport would benefit appreciably from advanced propulsion technology. The critical propulsion technology needed for a viable supersonic propulsion system, and the required specific propulsion technology programs are outlined.

  20. Metalloid Aluminum Clusters with Fluorine

    Science.gov (United States)

    2016-12-01

    metal clusters containing Al4 units. The Al4 was evaluated when attached to an alkaline or transitional metals, namely Na, Li, Be, Cu and Zn. Mandado...i i i n r r r   and therefore the dimensionality goes as 3 3N . This changes the problem to a many one electron problem. Recall that

  1. Isotopic clusters

    International Nuclear Information System (INIS)

    Geraedts, J.M.P.

    1983-01-01

    Spectra of isotopically mixed clusters (dimers of SF 6 ) 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.)

  2. Cluster Headache

    Science.gov (United States)

    ... a role. Unlike migraine and tension headache, cluster headache generally isn't associated with triggers, such as foods, hormonal changes or stress. Once a cluster period begins, however, drinking alcohol ...

  3. Cluster Headache

    OpenAIRE

    Pearce, Iris

    1985-01-01

    Cluster headache is the most severe primary headache with recurrent pain attacks described as worse than giving birth. The aim of this paper was to make an overview of current knowledge on cluster headache with a focus on pathophysiology and treatment. This paper presents hypotheses of cluster headache pathophysiology, current treatment options and possible future therapy approaches. For years, the hypothalamus was regarded as the key structure in cluster headache, but is now thought to be pa...

  4. Categorias Cluster

    OpenAIRE

    Queiroz, Dayane Andrade

    2015-01-01

    Neste trabalho apresentamos as categorias cluster, que foram introduzidas por Aslak Bakke Buan, Robert Marsh, Markus Reineke, Idun Reiten e Gordana Todorov, com o objetivo de categoriíicar as algebras cluster criadas em 2002 por Sergey Fomin e Andrei Zelevinsky. Os autores acima, em [4], mostraram que existe uma estreita relação entre algebras cluster e categorias cluster para quivers cujo grafo subjacente é um diagrama de Dynkin. Para isto desenvolveram uma teoria tilting na estrutura triang...

  5. 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.

  6. Horticultural cluster

    OpenAIRE

    SHERSTIUK S.V.; POSYLAYEVA K.I.

    2013-01-01

    In the article there are the theoretical and methodological approaches to the nature and existence of the cluster. The cluster differences from other kinds of cooperative and integration associations. Was develop by scientific-practical recommendations for forming a competitive horticultur cluster.

  7. NONLINEAR COLOR-METALLICITY RELATIONS OF GLOBULAR CLUSTERS. II. A TEST ON THE NONLINEARITY SCENARIO FOR COLOR BIMODALITY USING THE u-BAND COLORS: THE CASE OF M87 (NGC 4486)

    International Nuclear Information System (INIS)

    Yoon, Suk-Jin; Lee, Sang-Yoon; Kim, Hak-Sub; Cho, Jaeil; Chung, Chul; Sohn, Sangmo T.; Blakeslee, John P.

    2011-01-01

    The optical color distributions of globular clusters (GCs) in most large elliptical galaxies are bimodal. Based on the assumed linear relationship between GC colors and their metallicities, the bimodality has been taken as evidence of two GC subsystems with different metallicities in each galaxy and has led to a number of theories in the context of galaxy formation. More recent observations and modeling of GCs, however, suggests that the color-metallicity relations (CMRs) are inflected, and thus colors likely trace metallicities in a nonlinear manner. The nonlinearity could produce bimodal color distributions from a broad underlying metallicity spread, even if it is unimodal. Despite the far-reaching implications, whether CMRs are nonlinear and whether the nonlinearity indeed causes the color bimodality are still open questions. Given that the spectroscopic refinement of CMRs is still very challenging, we here propose a new photometric technique to probe the possible nonlinear nature of CMRs. In essence, a color distribution of GCs is a 'projected' distribution of their metallicities. Since the form of CMRs hinges on which color is used, the shape of color distributions varies depending significantly on the colors. Among other optical colors, the u-band related colors (e.g., u – g and u – z) are theoretically predicted to exhibit significantly less inflected CMRs than other preferred CMRs (e.g., for g – z). As a case study, we performed the Hubble Space Telescope (HST)/WFPC2 archival u-band photometry for the M87 (NGC 4486) GC system with confirmed color bimodality. We show that the u-band color distributions are significantly different from that of g – z and consistent with our model predictions. With more u-band measurements, this method will support or rule out the nonlinear CMR scenario for the origin of GC color bimodality with high confidence. The HST/WFC3 observations in F336W for nearby large elliptical galaxies are highly anticipated in this regard.

  8. Dual-Pump CARS Development and Application to Supersonic Combustion

    Science.gov (United States)

    Magnotti, Gaetano

    Successful design of hypersonic air-breathing engines requires new computational fluid dynamics (CFD) models for turbulence and turbulence-chemistry interaction in supersonic combustion. Unfortunately, not enough data are available to the modelers to develop and validate their codes, due to difficulties in taking measurements in such a harsh environment. Dual-pump coherent anti-Stokes Raman spectroscopy (CARS) is a non-intrusive, non-linear, laser-based technique that provides temporally and spatially resolved measurements of temperature and absolute mole fractions of N2, O2 and H2 in H2-air flames. A dual-pump CARS instrument has been developed to obtain measurements in supersonic combustion and generate databases for the CFD community. Issues that compromised previous attempts, such as beam steering and high irradiance perturbation effects, have been alleviated or avoided. Improvements in instrument precision and accuracy have been achieved. An axis-symmetric supersonic combusting coaxial jet facility has been developed to provide a simple, yet suitable flow to CFD modelers. The facility provides a central jet of hot "vitiated air" simulating the hot air entering the engine of a hypersonic vehicle flying at Mach numbers between 5 and 7. Three different silicon carbide nozzles, with exit Mach number 1, 1.6 and 2, are used to provide flows with the effects of varying compressibility. H2 co-flow is available in order to generate a supersonic combusting free jet. Dual-pump CARS measurements have been obtained for varying values of flight and exit Mach numbers at several locations. Approximately one million Dual-pump CARS single shots have been collected in the supersonic jet for varying values of flight and exit Mach numbers at several locations. Data have been acquired with a H2 co-flow (combustion case) or a N 2 co-flow (mixing case). Results are presented and the effects of the compressibility and of the heat release are discussed.

  9. New methods for analyzing transport phenomena in supersonic ejectors

    International Nuclear Information System (INIS)

    Lamberts, Olivier; Chatelain, Philippe; Bartosiewicz, Yann

    2017-01-01

    Highlights: • Simulation of a supersonic ejector with the open source software for CFD OpenFOAM. • Validation of the numerical tool based on flow structures obtained by schlieren. • Application of the momentum and energy tube analysis tools to a supersonic ejector. • Extension of this framework to exergy to construct exergy transport tubes. • Quantification of local transfers and losses of exergy within the ejector. - Abstract: This work aims at providing novel insights into the quantification and the location of the transfers and the irreversibilities within supersonic ejectors, and their connection with the entrainment. In this study, we propose two different and complementary approaches. First of all, recent analysis tools based on momentum and energy tubes (Meyers and Meneveau (2013)) are extended to the present compressible flow context and applied to the mean-flow structure of turbulent flow within the ejector. Furthermore, the transport equation for the mean-flow total exergy is derived and exergy transport tubes are proposed as a tool for the investigation of transport phenomena within supersonic ejectors. In addition to this topological approach, an analysis based on classical stream tubes is performed in order to quantitatively investigate transfers between the primary and the secondary streams all along the ejector. Finally, the present work identifies the location of exergy losses and their origins. Throughout this analysis, new local and cumulative parameters related to transfers and irreversibilities are introduced. The proposed methodology sheds light on the complex phenomena at play and may serve as a basis for the analysis of transport phenomena within supersonic ejectors. For the ejector under consideration, although global transfers are more important in on-design conditions, it is shown that the net gain in exergy of the secondary stream is maximum for a value of the back pressure that is close to the critical back pressure, as

  10. Ionized-cluster source based on high-pressure corona discharge

    International Nuclear Information System (INIS)

    Lokuliyanage, K.; Huber, D.; Zappa, F.; Scheier, P.

    2006-01-01

    Full text: It has been demonstrated that energetic beams of large clusters, with thousands of atoms, can be a powerful tool for surface modification. Normally ionized cluster beams are obtained by electron impact on neutral beams produced in a supersonic expansion. At the University of Innsbruck we are pursuing the realization of a high current cluster ion source based on the corona discharge.The idea in the present case is that the ionization should occur prior to the supersonic expansion, thus supersede the need of subsequent electron impact. In this contribution we present the project of our source in its initial stage. The intensity distribution of cluster sizes as a function of the source parameters, such as input pressure, temperature and gap voltage, are investigated with the aid of a custom-built time of flight mass spectrometer. (author)

  11. Cluster Matters

    DEFF Research Database (Denmark)

    Gulati, Mukesh; Lund-Thomsen, Peter; Suresh, Sangeetha

    2018-01-01

    sell their products successfully in international markets, but there is also an increasingly large consumer base within India. Indeed, Indian industrial clusters have contributed to a substantial part of this growth process, and there are several hundred registered clusters within the country...... of this handbook, which focuses on the role of CSR in MSMEs. Hence we contribute to the literature on CSR in industrial clusters and specifically CSR in Indian industrial clusters by investigating the drivers of CSR in India’s industrial clusters....

  12. Optical properties of cluster plasma

    Energy Technology Data Exchange (ETDEWEB)

    Kishimoto, Yasuaki; Tajima, Toshiki [Japan Atomic Energy Research Inst., Neyagawa, Osaka (Japan). Kansai Research Establishment; Downer, M C

    1998-03-01

    It is shown that unlike a gas plasma or an electron plasma in a metal, an ionized clustered material (`cluster plasma`) permits propagation below the plasma cut-off of electromagnetic (EM) waves whose phase velocity is close to but below the speed of light. This results from the excitation of a plasma oscillation mode (and/or polarization mode) through the cluster surface which does not exist in usual gaseous plasma. The existence of this new optical mode, cluster mode, is confirmed via numerical simulation. (author)

  13. Interaction of intense laser fields with metal clusters. Energy absorpion by scattering processes; Wechselwirkung von intensiven Laserfeldern mit Metallclustern. Energieabsorption durch Streuprozesse

    Energy Technology Data Exchange (ETDEWEB)

    Koehn, Joerg

    2010-02-23

    The present thesis aims at the theoretical description of laser-cluster interactions by means of semiclassical simulations, using small sodium clusters as model systems. In particular, the dynamics of ionization and electron emission is analyzed. To this end a model has been developed, which takes the density- and temperature dependence of electron-electron scattering cross sections within the nanoplasma into account. Furthermore the possibility of resonant excitation with few-cycle-pulses and control of the electron emission by means of the carrier-envelope-phase is investigated. (orig.)

  14. Metal-ligand interactions

    Science.gov (United States)

    Ervin, Kent M.

    Experimental studies of the interactions of small transition-metal cluster anions with carbonyl ligands are reviewed and compared with neutral and cationic clusters. Under thermal conditions, the reaction rates of transition-metal clusters with carbon monoxide are measured as a function of cluster size. Saturation limits for carbon monoxide addition can be related to the geometric structures of the clusters. Both energy-resolved threshold collision-induced dissociation experiments and time-resolved photodissociation experiments are used to measure metal-carbonyl binding energies. For platinum and palladium trimer anions, the carbonyl binding energies are assigned to different geometric binding sites. Platinum and palladium cluster anions catalyse the oxidation of carbon monoxide to carbon dioxide in a full catalytic cycle at thermal energies.

  15. Anomalous properties of technetium clusters

    International Nuclear Information System (INIS)

    Kryuchkov, S.V.

    1985-01-01

    On the basis of critical evaluation of literature data in the field of chemistry of technetium cluster compounds with ligands of a weak field a conclusion is made on specific, ''anomalous'' properties of technetium cluster complexes which consist in an increased ability of the given element to the formation of a series of binuclear and multinuclear clusters, similar in composition and structure and easily transforming in each other. The majority of technetium clusters unlike similar compounds of other elements are paramagnetic with one unpaired electron on ''metallic'' MO of loosening type. All theoretical conceptions known today on the electronic structure of technetium clusters are considered. It is pointed out, that the best results in the explanation of ''anomalous'' properties of technetium clusters can be obtained in the framework of nonempirical methods of self-consistent field taking into account configuration interactions. It is also shown, that certain properties of technetium clusters can be explained on the basis of qualitative model of Coulomb repulsion of metal atoms in clusters. The conclusion is made, that technetium position in the Periodic table, as well as recently detected technetium property to the decrease of effective charge on its atoms during M-M bond formation promote a high ability of the element to cluster formation both with weak field ligands and with strong field one

  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. Cluster evolution

    International Nuclear Information System (INIS)

    Schaeffer, R.

    1987-01-01

    The galaxy and cluster luminosity functions are constructed from a model of the mass distribution based on hierarchical clustering at an epoch where the matter distribution is non-linear. These luminosity functions are seen to reproduce the present distribution of objects as can be inferred from the observations. They can be used to deduce the redshift dependence of the cluster distribution and to extrapolate the observations towards the past. The predicted evolution of the cluster distribution is quite strong, although somewhat less rapid than predicted by the linear theory

  18. Volume Dynamics Propulsion System Modeling for Supersonics Vehicle Research

    Science.gov (United States)

    Kopasakis, George; Connolly, Joseph W.; Paxson, Daniel E.; Ma, Peter

    2010-01-01

    Under the NASA Fundamental Aeronautics Program the Supersonics Project is working to overcome the obstacles to supersonic commercial flight. The proposed vehicles are long slim body aircraft with pronounced aero-servo-elastic modes. These modes can potentially couple with propulsion system dynamics; leading to performance challenges such as aircraft ride quality and stability. Other disturbances upstream of the engine generated from atmospheric wind gusts, angle of attack, and yaw can have similar effects. In addition, for optimal propulsion system performance, normal inlet-engine operations are required to be closer to compressor stall and inlet unstart. To study these phenomena an integrated model is needed that includes both airframe structural dynamics as well as the propulsion system dynamics. This paper covers the propulsion system component volume dynamics modeling of a turbojet engine that will be used for an integrated vehicle Aero-Propulso-Servo-Elastic model and for propulsion efficiency studies.

  19. Supersonic laser-induced jetting of aluminum micro-droplets

    Energy Technology Data Exchange (ETDEWEB)

    Zenou, M. [Racah Institute of Physics and the Harvey M. Kruger Family Center for Nano-science and Nanotechnology, The Hebrew University of Jerusalem, 91904 Jerusalem (Israel); Additive Manufacturing Lab, Orbotech Ltd., P.O. Box 215, 81101 Yavne (Israel); Sa' ar, A. [Racah Institute of Physics and the Harvey M. Kruger Family Center for Nano-science and Nanotechnology, The Hebrew University of Jerusalem, 91904 Jerusalem (Israel); Kotler, Z. [Additive Manufacturing Lab, Orbotech Ltd., P.O. Box 215, 81101 Yavne (Israel)

    2015-05-04

    The droplet velocity and the incubation time of pure aluminum micro-droplets, printed using the method of sub-nanosecond laser induced forward transfer, have been measured indicating the formation of supersonic laser-induced jetting. The incubation time and the droplet velocity were extracted by measuring a transient electrical signal associated with droplet landing on the surface of the acceptor substrate. This technique has been exploited for studying small volume droplets, in the range of 10–100 femto-litters for which supersonic velocities were measured. The results suggest elastic propagation of the droplets across the donor-to-acceptor gap, a nonlinear deposition dynamics on the surface of the acceptor and overall efficient energy transfer from the laser beam to the droplets.

  20. Cosmic ray acceleration in sources of the supersonic turbulence

    International Nuclear Information System (INIS)

    Bykov, A.M.; Toptygin, I.N.

    1981-01-01

    The mechanism of particle acceleration by the supersonic turbulence is studied. The supersonic turbulence is defined as an ensemble of large- and small-scale plasma motions, in which along with the ranges of smooth parameter variation there are randomly distributed shock wave fronts. Particle interaction with the large-scale turbulence is described by the transfer equation which is true at any relation between the Larmor radius and the transport length. The large-scale turbulence can accelerate particles only due to compressibility effects of the medium. The basic theoretical results concerning turbulence properties in compressed media are presented. Concrete physical conditions and the possibility of acceleration of cosmic rays in the interplanetary space, in the vicinity of suppergiant stars of the O and B class with a great loss of mass and strong stellar winds, in supernova remnants, in the interstellar medium and some extragalactic radio sources are considered [ru

  1. Direct formulation of the supersonic acoustic intensity in space domain

    DEFF Research Database (Denmark)

    Fernandez Grande, Efren; Jacobsen, Finn; Leclre, Quentin

    2012-01-01

    into the far field. To date, its calculation has been formulated in the wave number domain, filtering out the evanescent waves outside the radiation circle and reconstructing the acoustic field with only the propagating waves. In this study, the supersonic intensity is calculated directly in space domain......This paper proposes and examines a direct formulation in space domain of the so-called supersonic acoustic intensity. This quantity differs from the usual (active) intensity by excluding the circulating energy in the near-field of the source, providing a map of the acoustic energy that is radiated...... by means of a two-dimensional convolution between the acoustic field and a spatial filter mask that corresponds to the space domain representation of the radiation circle. Therefore, the acoustic field that propagates effectively to the far field is calculated via direct filtering in space domain...

  2. Supersonic laser-induced jetting of aluminum micro-droplets

    International Nuclear Information System (INIS)

    Zenou, M.; Sa'ar, A.; Kotler, Z.

    2015-01-01

    The droplet velocity and the incubation time of pure aluminum micro-droplets, printed using the method of sub-nanosecond laser induced forward transfer, have been measured indicating the formation of supersonic laser-induced jetting. The incubation time and the droplet velocity were extracted by measuring a transient electrical signal associated with droplet landing on the surface of the acceptor substrate. This technique has been exploited for studying small volume droplets, in the range of 10–100 femto-litters for which supersonic velocities were measured. The results suggest elastic propagation of the droplets across the donor-to-acceptor gap, a nonlinear deposition dynamics on the surface of the acceptor and overall efficient energy transfer from the laser beam to the droplets

  3. Modeling of Supersonic Combustion Systems for Sustained Hypersonic Flight

    Directory of Open Access Journals (Sweden)

    Stephen M. Neill

    2017-11-01

    Full Text Available Through Computational Fluid Dynamics and validation, an optimal scramjet combustor has been designed based on twin-strut Hydrogen injection to sustain flight at a desired speed of Mach 8. An investigation undertaken into the efficacy of supersonic combustion through various means of injection saw promising results for Hydrogen-based systems, whereby strut-style injectors were selected over transverse injectors based on their pressure recovery performance and combustive efficiency. The final configuration of twin-strut injectors provided robust combustion and a stable region of net thrust (1873 kN in the nozzle. Using fixed combustor inlet parameters and injection equivalence ratio, the finalized injection method advanced to the early stages of two-dimensional (2-D and three-dimensional (3-D scramjet engine integration. The overall investigation provided a feasible supersonic combustion system, such that Mach 8 sustained cruise could be achieved by the aircraft concept in a computational design domain.

  4. Kr-PLIF for scalar imaging in supersonic flows.

    Science.gov (United States)

    Narayanaswamy, V; Burns, R; Clemens, N T

    2011-11-01

    Experiments were performed to explore the use of two-photon planar laser-induced fluorescence (PLIF) of krypton gas for applications of scalar imaging in supersonic flows. Experiments were performed in an underexpanded jet of krypton, which exhibited a wide range of conditions, from subsonic to hypersonic. Excellent signal-to-noise ratios were obtained, showing the technique is suitable for single-shot imaging. The data were used to infer the distribution of gas density and temperature by correcting the fluorescence signal for quenching effects and using isentropic relations. The centerline variation of the density and temperature from the experiments agree very well with those predicted with an empirical correlation and a CFD simulation (FLUENT). Overall, the high signal levels and quantifiable measurements indicate that Kr-PLIF could be an effective scalar marker for use in supersonic and hypersonic flow applications.

  5. Effect of Microjet Injection on Supersonic Jet Noise

    Science.gov (United States)

    Zaman, K. B. M. Q.; Podboy, G. G.

    2010-01-01

    The effect of microjet (jet) injection on the noise from supersonic jets is investigated. Three convergent-divergent (C-D) nozzles and one convergent nozzle, all having the same exit diameters, are used in the study. The jets are injected perpendicular to the primary jet close to the nozzle lip from six equally-spaced ports having a jet-to-primary-jet diameter ratio of 0.0054. Effects in the over-expanded, fully expanded as well as underexpanded flow regimes are explored. Relative to the effect on subsonic jets, larger reductions in the overall sound pressure level (OASPL) are achieved in most supersonic conditions. The largest reductions are typically associated with suppression of screech and transonic tones. For a shock-free, fully expanded case, the OASPL reductions achieved are comparable to that in the subsonic case; the same correlation, found for subsonic jet noise reduction at shallow observation angle, applies.

  6. Development and Testing of a New Family of Supersonic Decelerators

    Science.gov (United States)

    Clark, Ian G.; Adler, Mark; Rivellini, Tommaso P.

    2013-01-01

    The state of the art in Entry, Descent, and Landing systems for Mars applications is largely based on technologies developed in the late 1960's and early 1970's for the Viking Lander program. Although the 2011 Mars Science Laboratory has made advances in EDL technology, these are predominantly in the areas of entry (new thermal protection systems and guided hypersonic flight) and landing (the sky crane architecture). Increases in entry mass, landed mass, and landed altitude beyond MSL capabilities will require advances predominantly in the field of supersonic decelerators. With this in mind, a multi-year program has been initiated to advance three new types of supersonic decelerators that would enable future large-robotic and human-precursor class missions to Mars.

  7. Tests of a thermal acoustic shield with a supersonic jet

    Science.gov (United States)

    Pickup, N.; Mangiarotty, R. A.; Okeefe, J. V.

    1981-10-01

    Fuel economy is a key element in the design of a future supersonic transport (SST). Variable cycle engines are being developed to provide the most economic combination of characteristics for a range of cruise speeds extending from subsonic speeds for overland flights to the supersonic cruise speeds. For one of these engines, the VCE-702, some form of noise suppression is needed for takeoff/sideline thrusts. The considered investigation is primarily concerned with scale model static tests of one particular concept for achieving that reduction, the thermal acoustic shield (TAS), which could also benefit other candidate SST engines. Other noise suppression devices being considered for SST application are the coannular nozzle, an internally ventilated nozzle, and mechanical suppressors. A test description is provided, taking into account the model configurations, the instrumentation, the test jet conditions, and aspects of screech noise control. Attention is given to shield thickness effects, a spectrum analysis, suppression and performance loss, and installed performance.

  8. Temperature in subsonic and supersonic radiation fronts measured at OMEGA

    Science.gov (United States)

    Johns, Heather; Kline, John; Lanier, Nick; Perry, Ted; Fontes, Chris; Fryer, Chris; Brown, Colin; Morton, John

    2017-10-01

    Propagation of heat fronts relevant to astrophysical plasmas is challenging in the supersonic regime. Plasma Te changes affect opacity and equation of state without hydrodynamic change. In the subsonic phase density perturbations form at material interfaces as the plasma responds to radiation pressure of the front. Recent experiments at OMEGA studied this transition in aerogel foams driven by a hohlraum. In COAX, two orthogonal backlighters drive x-ray radiography and K-shell absorption spectroscopy to diagnose the subsonic shape of the front and supersonic Te profiles. Past experiments used absorption spectroscopy in chlorinated foams to measure the heat front; however, Cl dopant is not suitable for higher material temperatures at NIF. COAX has developed use of Sc and Ti dopants to diagnose Te between 60-100eV and 100-180eV. Analysis with PrismSPECT using OPLIB tabular opacity data will evaluate the platform's ability to advance radiation transport in this regime.

  9. Investigation of nozzle contours in the CSIR supersonic wind tunnel

    CSIR Research Space (South Africa)

    Vallabh, Bhavya

    2017-09-01

    Full Text Available Contours in the CSIR Supersonic Wind Tunnel B Vallabha,b and BW Skewsa Received 17 February 2017, in revised form 23 June 2017 and accepted 25 June 2017 R & D Journal of the South African Institution of Mechanical Engineering 2017, 33, 32-41 http... with the Sivells’ nozzle design method and the method of characteristics technique to design the nozzle profiles for the full supersonic Mach number range 𝟏𝟏 ≀ 𝑎𝑎 ≀ 𝟒𝟒.5 of the facility. Automatic computation was used for the profile...

  10. Ethylene tetrafluoroethylene nanofibers prepared by CO2 laser supersonic drawing

    Directory of Open Access Journals (Sweden)

    A. Suzuki

    2013-06-01

    Full Text Available Ethylene tetrafluoroethylene (ETFE nanofibers were prepared by carbon dioxide (CO2 laser irradiation of asspun ETFE fibers with four different melt flow rates (MFRs in a supersonic jet that was generated by blowing air into a vacuum chamber through the fiber injection orifice. The drawability and superstructure of fibers produced by CO2 laser supersonic drawing depend on the laser power, the chamber pressure, the fiber injection speed, and the MFR. Nanofibers obtained using a laser power of 20 W, a chamber pressure of 20 kPa, and an MFR of 308 g•10 min–1 had an average diameter of 0.303 µm and a degree of crystallinity of 54%.

  11. Three-atom clusters

    International Nuclear Information System (INIS)

    Pen'kov, F.M.

    1998-01-01

    The Born-Oppenheimer approximation is used to obtain an equation for the effective interaction in three atoms bound by a single electron. For low binding energies in an 'electron + atom' pair, long-range forces arise between the atoms, leading to bound states when the size of the three-atom cluster is a few tens of angstrom. A system made of alkali-metal atoms is considered as an example

  12. Ligand Effects in Aluminum Cluster based Energetic Materials

    Science.gov (United States)

    2017-09-01

    detonation is necessary. Detonation is a process involving a supersonic pressure wave perpetuated by an ongoing chemical reaction . For example, the... chemical reaction and can drive metal, a blast wave or otherwise do work external to the explosive. The detonation wave moves several kilometers per...Electrical Engineering NSWC Indian Head Approved by: Kevin Smith, Chair, Department of Physics Approved by: Douglas Moses, Vice Provost of Academic

  13. Dense Fe cluster-assembled films by energetic cluster deposition

    International Nuclear Information System (INIS)

    Peng, D.L.; Yamada, H.; Hihara, T.; Uchida, T.; Sumiyama, K.

    2004-01-01

    High-density Fe cluster-assembled films were produced at room temperature by an energetic cluster deposition. Though cluster-assemblies are usually sooty and porous, the present Fe cluster-assembled films are lustrous and dense, revealing a soft magnetic behavior. Size-monodispersed Fe clusters with the mean cluster size d=9 nm were synthesized using a plasma-gas-condensation technique. Ionized clusters are accelerated electrically and deposited onto the substrate together with neutral clusters from the same cluster source. Packing fraction and saturation magnetic flux density increase rapidly and magnetic coercivity decreases remarkably with increasing acceleration voltage. The Fe cluster-assembled film obtained at the acceleration voltage of -20 kV has a packing fraction of 0.86±0.03, saturation magnetic flux density of 1.78±0.05 Wb/m 2 , and coercivity value smaller than 80 A/m. The resistivity at room temperature is ten times larger than that of bulk Fe metal

  14. Wave-driven Rotation in Supersonically Rotating Mirrors

    Energy Technology Data Exchange (ETDEWEB)

    A. Fetterman and N.J. Fisch

    2010-02-15

    Supersonic rotation in mirrors may be produced by radio frequency waves. The waves produce coupled diffusion in ion kinetic and potential energy. A population inversion along the diffusion path then produces rotation. Waves may be designed to exploit a natural kinetic energy source or may provide the rotation energy on their own. Centrifugal traps for fusion and isotope separation may benefit from this wave-driven rotation.

  15. Supersonic Combustion of Hydrogen Jets System in Hypersonic Stream

    International Nuclear Information System (INIS)

    Zhapbasbaev, U.K.; Makashev, E.P.

    2003-01-01

    The data of calculated theoretical investigations of diffusive combustion of plane supersonic hydrogen jets in hypersonic stream received with Navier-Stokes parabola equations closed by one-para metrical (k-l) model of turbulence and multiply staged mechanism of hydrogen oxidation are given. Combustion mechanisms depending on the operating parameters are discussing. The influences of air stream composition and ways off fuel feed to the length of ignition delay and level quantity of hydrogen bum-out have been defined. The calculated theoretical results of investigations permit to make the next conclusions: 1. The diffusive combustion of the system of plane supersonic hydrogen jets in hypersonic flow happens in the cellular structures with alternation zones of intensive running of chemical reactions with their inhibition zones. 2. Gas dynamic and heat Mach waves cause a large - scale viscous formation intensifying mixing of fuel with oxidizer. 3. The system ignition of plane supersonic hydrogen jets in hypersonic airy co-flow happens with the formation of normal flame front of hydrogen airy mixture with transition to the diffusive combustion. 4. The presence of active particles in the flow composition initiates the ignition of hydrogen - airy mixture, provides the intensive running of chemical reactions and shortens the length of ignition delay. 5. The supersonic combustion of hydrogel-airy mixture is characterized by two zones: the intensive chemical reactions with an active energy heat release is occurring in the first zone and in the second - a slow hydrogen combustion limited by the mixing of fuel with oxidizer. (author)

  16. Supersonic plasma jet interaction with gases and plasmas

    Czech Academy of Sciences Publication Activity Database

    Nicolai, P.; Stenz, C.; Tikhonchuk, V.; Ribeyre, X.; Kasperczuk, A.; Pisarczyk, T.; Juha, Libor; Krouský, Eduard; Mašek, Karel; Pfeifer, Miroslav; Rohlena, Karel; Skála, Jiří; Ullschmied, Jiří; Kálal, M.; Klír, D.; Kravárik, J.; Kubeš, P.; Pisarczyk, P.

    2009-01-01

    Roč. 322, 1-4 (2009), 11-17 ISSN 0004-640X R&D Projects: GA MŠk(CZ) LC528; GA MŠk LA08024 Institutional research plan: CEZ:AV0Z10100523; CEZ:AV0Z20430508 Keywords : supersonic plasma jet * laser experiment * shock Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 1.404, year: 2009

  17. Visualization of supersonic diesel fuel jets using a shadowgraph technique

    Science.gov (United States)

    Pianthong, Kulachate; Behnia, Masud; Milton, Brian E.

    2001-04-01

    High-speed liquid jets have been widely used to cut or penetrate material. It has been recently conjectured that the characteristics of high-speed fuel jets may also be of benefit to engines requiring direct fuel injection into the combustion chamber. Important factors are combustion efficiency and emission control enhancement for better atomization. Fundamental studies of very high velocity liquid jets are therefore very important. The characteristics and behavior of supersonic liquid jets have been studied with the aid of a shadowgraph technique. The high-speed liquid jet (in the supersonic range) is generated by the use of a vertical, single stage powder gun. The performance of the launcher and its relation to the jet exit velocity, with a range of nozzle shapes, has been examined. This paper presents the visual evidence of supersonic diesel fuel jets (velocity around 2000 m/s) investigated by the shadowgraph method. An Argon jet has been used as a light source. With a rise time of 0.07 microseconds, light duration of 0.2 microseconds and the use of high speed Polaroid film, the shadowgraph method can effectively capture the hypersonic diesel fuel jet and its strong leading edge shock waves. This provides a clearer picture of each stage of the generation of hypersonic diesel fuel jets and makes the study of supersonic diesel fuel jet characteristics and the potential for auto-ignition possible. Also, in the experiment, a pressure relief section has been used to minimize the compressed air or blast wave ahead of the projectile. However, the benefit of using a pressure relief section in the design is not clearly known. To investigate this effect, additional experiments have been performed with the use of the shadowgraph method, showing the projectile leaving and traveling inside the nozzle at a velocity around 1100 m/s.

  18. Wave-driven Rotation in Supersonically Rotating Mirrors

    International Nuclear Information System (INIS)

    Fetterman, A.; Fisch, N.J.

    2010-01-01

    Supersonic rotation in mirrors may be produced by radio frequency waves. The waves produce coupled diffusion in ion kinetic and potential energy. A population inversion along the diffusion path then produces rotation. Waves may be designed to exploit a natural kinetic energy source or may provide the rotation energy on their own. Centrifugal traps for fusion and isotope separation may benefit from this wave-driven rotation.

  19. Cryochemistry of Metal Nanoparticles

    International Nuclear Information System (INIS)

    Sergeev, Gleb B.

    2003-01-01

    The interaction of metal atoms, clusters and nanoparticles with different organic and inorganic substances were studied at low temperature (10-40K). Combination of matrix isolation technique and preparative cryochemistry was applied for the investigation of activity and selectivity of metal particles of different size. Encapsulation of metal nanoparticles in polymers was studied. The metal-polymer films thus obtained exhibited satisfactory sensitivity to ammonia

  20. Cryochemistry of Metal Nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Sergeev, Gleb B. [Moscow State University, Laboratory of Low Temperature Chemistry, Chemistry Department (Russian Federation)], E-mail: gbs@kinet.chem.msu.ru

    2003-12-15

    The interaction of metal atoms, clusters and nanoparticles with different organic and inorganic substances were studied at low temperature (10-40K). Combination of matrix isolation technique and preparative cryochemistry was applied for the investigation of activity and selectivity of metal particles of different size. Encapsulation of metal nanoparticles in polymers was studied. The metal-polymer films thus obtained exhibited satisfactory sensitivity to ammonia.