WorldWideScience

Sample records for scale metal structures

  1. Additive Manufacturing of Metal Structures at the Micrometer Scale.

    Science.gov (United States)

    Hirt, Luca; Reiser, Alain; Spolenak, Ralph; Zambelli, Tomaso

    2017-05-01

    Currently, the focus of additive manufacturing (AM) is shifting from simple prototyping to actual production. One driving factor of this process is the ability of AM to build geometries that are not accessible by subtractive fabrication techniques. While these techniques often call for a geometry that is easiest to manufacture, AM enables the geometry required for best performance to be built by freeing the design process from restrictions imposed by traditional machining. At the micrometer scale, the design limitations of standard fabrication techniques are even more severe. Microscale AM thus holds great potential, as confirmed by the rapid success of commercial micro-stereolithography tools as an enabling technology for a broad range of scientific applications. For metals, however, there is still no established AM solution at small scales. To tackle the limited resolution of standard metal AM methods (a few tens of micrometers at best), various new techniques aimed at the micrometer scale and below are presently under development. Here, we review these recent efforts. Specifically, we feature the techniques of direct ink writing, electrohydrodynamic printing, laser-assisted electrophoretic deposition, laser-induced forward transfer, local electroplating methods, laser-induced photoreduction and focused electron or ion beam induced deposition. Although these methods have proven to facilitate the AM of metals with feature sizes in the range of 0.1-10 µm, they are still in a prototype stage and their potential is not fully explored yet. For instance, comprehensive studies of material availability and material properties are often lacking, yet compulsory for actual applications. We address these items while critically discussing and comparing the potential of current microscale metal AM techniques. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Multi-Scale Modeling for Predicting the Stiffness and Strength of Hollow-Structured Metal Foams with Structural Hierarchy

    Directory of Open Access Journals (Sweden)

    Yong Yi

    2018-03-01

    Full Text Available This work was inspired by previous experiments which managed to establish an optimal template-dealloying route to prepare ultralow density metal foams. In this study, we propose a new analytical–numerical model of hollow-structured metal foams with structural hierarchy to predict its stiffness and strength. The two-level model comprises a main backbone and a secondary nanoporous structure. The main backbone is composed of hollow sphere-packing architecture, while the secondary one is constructed of a bicontinuous nanoporous network proposed to describe the nanoscale interactions in the shell. Firstly, two nanoporous models with different geometries are generated by Voronoi tessellation, then the scaling laws of the mechanical properties are determined as a function of relative density by finite volume simulation. Furthermore, the scaling laws are applied to identify the uniaxial compression behavior of metal foams. It is shown that the thickness and relative density highly influence the Young’s modulus and yield strength, and vacancy defect determines the foams being self-supported. The present study provides not only new insights into the mechanical behaviors of both nanoporous metals and metal foams, but also a practical guide for their fabrication and application.

  3. Mechanical deformation of atomic-scale metallic contacts: Structure and mechanisms

    DEFF Research Database (Denmark)

    Sørensen, Mads Reinholdt; Brandbyge, Mads; Jacobsen, Karsten Wedel

    1998-01-01

    We have simulated the mechanical deformation of atomic-scale metallic contacts under tensile strain using molecular dynamics and effective medium theory potentials. The evolution of the structure of the contacts and the underlying deformation mechanisms are described along with the calculated......, but vacancies can be permanently present. The transition states and energies for slip mechanisms have been determined using the nudged elastic band method, and we find a size-dependent crossover from a dislocation-mediated slip to a homogeneous slip when the contact diameter becomes less than a few nm. We show...

  4. Multi-Scale Modeling of Microstructural Evolution in Structural Metallic Systems

    Science.gov (United States)

    Zhao, Lei

    Metallic alloys are a widely used class of structural materials, and the mechanical properties of these alloys are strongly dependent on the microstructure. Therefore, the scientific design of metallic materials with superior mechanical properties requires the understanding of the microstructural evolution. Computational models and simulations offer a number of advantages over experimental techniques in the prediction of microstructural evolution, because they can allow studies of microstructural evolution in situ, i.e., while the material is mechanically loaded (meso-scale simulations), and bring atomic-level insights into the microstructure (atomistic simulations). In this thesis, we applied a multi-scale modeling approach to study the microstructural evolution in several metallic systems, including polycrystalline materials and metallic glasses (MGs). Specifically, for polycrystalline materials, we developed a coupled finite element model that combines phase field method and crystal plasticity theory to study the plasticity effect on grain boundary (GB) migration. Our model is not only coupled strongly (i.e., we include plastic driving force on GB migration directly) and concurrently (i.e., coupled equations are solved simultaneously), but also it qualitatively captures such phenomena as the dislocation absorption by mobile GBs. The developed model provides a tool to study the microstructural evolution in plastically deformed metals and alloys. For MGs, we used molecular dynamics (MD) simulations to investigate the nucleation kinetics in the primary crystallization in Al-Sm system. We calculated the time-temperature-transformation curves for low Sm concentrations, from which the strong suppressing effect of Sm solute on Al nucleation and its influencing mechanism are revealed. Also, through the comparative analysis of both Al attachment and Al diffusion in MGs, it has been found that the nucleation kinetics is controlled by interfacial attachment of Al, and that

  5. Hidden scale invariance of metals

    DEFF Research Database (Denmark)

    Hummel, Felix; Kresse, Georg; Dyre, Jeppe C.

    2015-01-01

    Density functional theory (DFT) calculations of 58 liquid elements at their triple point show that most metals exhibit near proportionality between the thermal fluctuations of the virial and the potential energy in the isochoric ensemble. This demonstrates a general “hidden” scale invariance...... of metals making the condensed part of the thermodynamic phase diagram effectively one dimensional with respect to structure and dynamics. DFT computed density scaling exponents, related to the Grüneisen parameter, are in good agreement with experimental values for the 16 elements where reliable data were...... available. Hidden scale invariance is demonstrated in detail for magnesium by showing invariance of structure and dynamics. Computed melting curves of period three metals follow curves with invariance (isomorphs). The experimental structure factor of magnesium is predicted by assuming scale invariant...

  6. Quantum resonance of nanometre-scale metal-ZnO-metal structure and its application in sensors

    Directory of Open Access Journals (Sweden)

    Lijie Li

    2016-01-01

    Full Text Available Analysis of the thickness dependence of the potential profile of the metal-ZnO-metal (MZM structure has been conducted based on Poisson’s equation and Schottky theory. Quantum scattering theory is then used to calculate the transmission probability of an electron passing through the MZM structure. Results show that the quantum resonance (QR effect becomes pronounced when the thickness of the ZnO film reaches to around 6 nm. Strain induced piezopotentials are considered as biases to the MZM, which significantly changes the QR according to the analysis. This effect can be potentially employed as nanoscale strain sensors.

  7. Atomic-scale structural signature of dynamic heterogeneities in metallic liquids

    Science.gov (United States)

    Pasturel, Alain; Jakse, Noel

    2017-08-01

    With sufficiently high cooling rates, liquids will cross their equilibrium melting temperatures and can be maintained in a metastable undercooled state before solidifying. Studies of undercooled liquids reveal several intriguing dynamic phenomena and because explicit connections between liquid structure and liquids dynamics are difficult to identify, it remains a major challenge to capture the underlying structural link to these phenomena. Ab initio molecular dynamics (AIMD) simulations are yet especially powerful in providing atomic-scale details otherwise not accessible in experiments. Through the AIMD-based study of Cr additions in Al-based liquids, we evidence for the first time a close relationship between the decoupling of component diffusion and the emergence of dynamic heterogeneities in the undercooling regime. In addition, we demonstrate that the origin of both phenomena is related to a structural heterogeneity caused by a strong interplay between chemical short-range order (CSRO) and local fivefold topology (ISRO) at the short-range scale in the liquid phase that develops into an icosahedral-based medium-range order (IMRO) upon undercooling. Finally, our findings reveal that this structural signature is also captured in the temperature dependence of partial pair-distribution functions which opens up the route to more elaborated experimental studies.

  8. Two-scale homogenization to determine effective parameters of thin metallic-structured films

    Science.gov (United States)

    Marigo, Jean-Jacques

    2016-01-01

    We present a homogenization method based on matched asymptotic expansion technique to derive effective transmission conditions of thin structured films. The method leads unambiguously to effective parameters of the interface which define jump conditions or boundary conditions at an equivalent zero thickness interface. The homogenized interface model is presented in the context of electromagnetic waves for metallic inclusions associated with Neumann or Dirichlet boundary conditions for transverse electric or transverse magnetic wave polarization. By comparison with full-wave simulations, the model is shown to be valid for thin interfaces up to thicknesses close to the wavelength. We also compare our effective conditions with the two-sided impedance conditions obtained in transmission line theory and to the so-called generalized sheet transition conditions. PMID:27616916

  9. Metal working and dislocation structures

    DEFF Research Database (Denmark)

    Hansen, Niels

    2007-01-01

    Microstructural observations are presented for different metals deformed from low to high strain by both traditional and new metal working processes. It is shown that deformation induced dislocation structures can be interpreted and analyzed within a common framework of grain subdivision on a finer...... and finer scale down to the nanometer dimension, which can be reached at ultrahigh strains. It is demonstrated that classical materials science and engineering principles apply from the largest to the smallest structural scale but also that new and unexpected structures and properties characterize metals...

  10. A COMPACT HIGH VELOCITY CLOUD NEAR THE MAGELLANIC STREAM: METALLICITY AND SMALL-SCALE STRUCTURE

    Energy Technology Data Exchange (ETDEWEB)

    Kumari, Nimisha [Ecole Polytechnique, Route de Saclay, F-91128 Palaiseau (France); Fox, Andrew J.; Tumlinson, Jason; Thom, Christopher; Ely, Justin [Space Telescope Science Institute, Baltimore, MD 21218 (United States); Westmeier, Tobias [ICRAR, The University of Western Australia, 35 Stirling Highway, Crawley WA 6009 (Australia)

    2015-02-10

    The Magellanic Stream (MS) is a well-resolved gaseous tail originating from the Magellanic Clouds. Studies of its physical properties and chemical composition are needed to understand its role in Galactic evolution. We investigate the properties of a compact HVC (CHVC 224.0-83.4-197) lying close on the sky to the MS to determine whether it is physically connected to the Stream and to examine its internal structure. Our study is based on analysis of HST/COS spectra of three QSOs (Ton S210, B0120-28, and B0117-2837) all of which pass through this single cloud at small angular separation (≲0.°72), allowing us to compare physical conditions on small spatial scales. No significant variation is detected in the ionization structure from one part of the cloud to the other. Using Cloudy photoionization models, toward Ton S210 we derive elemental abundances of [C/H] = –1.21 ± 0.11, [Si/H] = –1.16 ± 0.11, [Al/H] = –1.19 ± 0.17, and [O/H] = –1.12 ± 0.22, which agree within 0.09 dex. The CHVC abundances match the 0.1 solar abundances measured along the main body of the Stream. This suggests that the CHVC (and by extension the extended network of filaments to which it belongs) has an origin in the MS. It may represent a fragment that has been removed from the Stream as it interacts with the gaseous Galactic halo.

  11. The large-scale structure of the halo of the Andromeda galaxy. I. Global stellar density, morphology and metallicity properties

    Energy Technology Data Exchange (ETDEWEB)

    Ibata, Rodrigo A.; Martin, Nicolas F. [Observatoire astronomique de Strasbourg, Université de Strasbourg, CNRS, UMR 7550, 11 rue de lUniversité, F-67000 Strasbourg (France); Lewis, Geraint F. [Institute of Astronomy, School of Physics A28, University of Sydney, NSW 2006 (Australia); McConnachie, Alan W. [NRC Herzberg Institute of Astrophysics, 5071 West Saanich Road, Victoria, BC, V9E 2E7 (Canada); Irwin, Michael J. [Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge CB3 0HA (United Kingdom); Ferguson, Annette M. N.; Bernard, Edouard J.; Peñarrubia, Jorge [Institute for Astronomy, University of Edinburgh, Blackford Hill, Edinburgh EH9 3HJ (United Kingdom); Babul, Arif; Navarro, Julio [Department of Physics and Astronomy, University of Victoria, 3800 Finnerty Road, Victoria, British Columbia V8P 5C2 (Canada); Chapman, Scott C. [Department of Physics and Atmospheric Science, Dalhousie University, 6310 Coburg Road, Halifax NS B3H 4R2 (Canada); Collins, Michelle [Max-Planck-Institut für Astronomie, Königstuhl 17, D-69117 Heidelberg (Germany); Fardal, Mark [University of Massachusetts, Department of Astronomy, LGRT 619-E, 710 North Pleasant Street, Amherst, MA 01003-9305 (United States); Mackey, A. D. [RSAA, The Australian National University, Mount Stromlo Observatory, Cotter Road, Weston Creek ACT 2611 (Australia); Rich, R. Michael [Department of Physics and Astronomy, University of California, Los Angeles, PAB, 430 Portola Plaza, Los Angeles, CA 90095-1547 (United States); Tanvir, Nial [Department of Physics and Astronomy, University of Leicester, University Road, Leicester LE1 7RH (United Kingdom); Widrow, Lawrence, E-mail: rodrigo.ibata@astro.unistra.fr [Department of Physics, Engineering Physics, and Astronomy Queen' s University, Kingston, Ontario K7L 3N6 (Canada)

    2014-01-10

    We present an analysis of the large-scale structure of the halo of the Andromeda galaxy, based on the Pan-Andromeda Archeological Survey (PAndAS), currently the most complete map of resolved stellar populations in any galactic halo. Despite the presence of copious substructures, the global halo populations follow closely power-law profiles that become steeper with increasing metallicity. We divide the sample into stream-like populations and a smooth halo component (defined as the population that cannot be resolved into spatially distinct substructures with PAndAS). Fitting a three-dimensional halo model reveals that the most metal-poor populations ([Fe/H]<−1.7) are distributed approximately spherically (slightly prolate with ellipticity c/a = 1.09 ± 0.03), with only a relatively small fraction residing in discernible stream-like structures (f {sub stream} = 42%). The sphericity of the ancient smooth component strongly hints that the dark matter halo is also approximately spherical. More metal-rich populations contain higher fractions of stars in streams, with f {sub stream} becoming as high as 86% for [Fe/H]>−0.6. The space density of the smooth metal-poor component has a global power-law slope of γ = –3.08 ± 0.07, and a non-parametric fit shows that the slope remains nearly constant from 30 kpc to ∼300 kpc. The total stellar mass in the halo at distances beyond 2° is ∼1.1 × 10{sup 10} M {sub ☉}, while that of the smooth component is ∼3 × 10{sup 9} M {sub ☉}. Extrapolating into the inner galaxy, the total stellar mass of the smooth halo is plausibly ∼8 × 10{sup 9} M {sub ☉}. We detect a substantial metallicity gradient, which declines from ([Fe/H]) = –0.7 at R = 30 kpc to ([Fe/H]) = –1.5 at R = 150 kpc for the full sample, with the smooth halo being ∼0.2 dex more metal poor than the full sample at each radius. While qualitatively in line with expectations from cosmological simulations, these observations are of great importance as

  12. Facile and large-scale preparation of sandwich-structured graphene-metal oxide composites as anode materials for Li-ion batteries

    International Nuclear Information System (INIS)

    Fang, Hongmei; Zhao, Li; Yue, Wenbo; Wang, Yuan; Jiang, Yang; Zhang, Yuan

    2015-01-01

    Graphene-based metal oxides are desirable as potential anode materials for lithium-ion batteries (LIBs) owing to their superior electrochemical properties. In this work, sandwich-structured graphene-metal oxide (ZnO, NiO) composites are facilely synthesized on a large scale through self-assembly of graphene oxide nanosheets and metal ammine complexes, and then thermal decomposition of the self-assembled products. ZnO or NiO nanoparticles with diameters of 5∼10 nm are immobilized between the layers of graphene nanosheets, which may provide the space for accommodating the volume change of metal oxides during cycles, and highly improve the electronic conductivity of the composites. Accordingly, these sandwich-structured composites exhibit enhanced electrochemical performances compared to metal oxide particles or stacked graphene nanosheets. This facile synthesis method is very suitable for the large-scale production of three-dimensional graphene-based composites as high-performance anodes for LIBs.

  13. Transparent and conductive electrodes by large-scale nano-structuring of noble metal thin-films

    DEFF Research Database (Denmark)

    Linnet, Jes; Runge Walther, Anders; Wolff, Christian

    2018-01-01

    grid, and nano-wire thin-films. The indium and carbon films do not match the chemical stability nor the electrical performance of the noble metals, and many metal films are not uniform in material distribution leading to significant surface roughness and randomized transmission haze. We demonstrate...... solution-processed masks for physical vapor-deposited metal electrodes consisting of hexagonally ordered aperture arrays with scalable aperture-size and spacing in an otherwise homogeneous noble metal thin-film that may exhibit better electrical performance than carbon nanotube-based thin-films...... for equivalent optical transparency. The fabricated electrodes are characterized optically and electrically by measuring transmittance and sheet resistance. The presented methods yield large-scale reproducible results. Experimentally realized thin-films with very low sheet resistance, Rsh = 2.01 ± 0.14 Ω...

  14. Crystalline structure of metals

    International Nuclear Information System (INIS)

    Holas, A.

    1972-01-01

    An attempt is made to find the crystalline structure of metals on the basis of the existing theory of metals. The considerations are limited to the case of free crystals, that is, not subjected to any stresses and with T=0. The energy of the crystal lattice has been defined and the dependence of each term on structures and other properties of metals has been described. The energy has been used to find the values of crystalline structure parameters as the values at which the energy has an absolute minimum. The stability of the structure has been considered in cases of volume changes and shearing deformations. A semiqualitative description has been obtained which explains characteristic properties of one-electron metals. (S.B.)

  15. Metallic glasses: structural models

    International Nuclear Information System (INIS)

    Nassif, E.

    1984-01-01

    The aim of this work is to give a summary of the attempts made up to the present in order to discribe by structural models the atomic arrangement in metallic glasses, showing also why the structure factors and atomic distribution functions cannot be always experimentally determined with a reasonable accuracy. (M.W.O.) [pt

  16. Spin-dependent hot electron transport and nano-scale magnetic imaging of metal/Si structures

    International Nuclear Information System (INIS)

    Kaidatzis, A.

    2008-10-01

    In this work, we experimentally study spin-dependent hot electron transport through metallic multilayers (ML), containing single magnetic layers or 'spin-valve' (SV) tri layers. For this purpose, we have set up a ballistic electron emission microscope (BEEM), a three terminal extension of scanning tunnelling microscopy on metal/semiconductor structures. The implementation of the BEEM requirements into the sample fabrication is described in detail. Using BEEM, the hot electron transmission through the ML's was systematically measured in the energy range 1-2 eV above the Fermi level. By varying the magnetic layer thickness, the spin-dependent hot electron attenuation lengths were deduced. For the materials studied (Co and NiFe), they were compared to calculations and other determinations in the literature. For sub-monolayer thickness, a non uniform morphology was observed, with large transmission variations over sub-nano-metric distances. This effect is not yet fully understood. In the imaging mode, the magnetic configurations of SV's were studied under field, focusing on 360 degrees domain walls in Co layers. The effects of the applied field intensity and direction on the DW structure were studied. The results were compared quantitatively to micro-magnetic calculations, with an excellent agreement. From this, it can be shown that the BEEM magnetic resolution is better than 50 nm. (author)

  17. Atomic Scale Investigation of Structural Properties and Glass Forming Ability of Ti100- x Al x Metallic Glasses

    Science.gov (United States)

    Tahiri, M.; Hasnaoui, A.; Sbiaai, K.

    2018-06-01

    In this work, we employed molecular dynamics (MD) simulations to study Ti-Al metallic glasses (MGs) using the embedded atom method (EAM) potential to model the atomic interaction with different compositions. The results showed evidence of the metallic glass formation induced by the split occurring in the second peak of the radial distribution function (RDF) curves implying both Ti and Al atoms. The common neighbor analysis (CNA) method confirmed the presence of the icosahedral clusters with a maximum amount observed for an alloy with 75 pct of Al. Analysis of coordination numbers (CNs) indicated that the total CNs are nearly unchanged in these systems. Finally, Voronoi tessellation analyses (VTA) showed a higher value of the number of icosahedral units at Ti25Al75 composition. This specific composition represents a nearby peritectic point localized at a low melting point in the Ti-Al binary phase diagram. The glass forming ability (GFA) becomes important when the fraction of Al increases by forming and connecting "icosahedral-like" clusters (12-coordinated and 13-coordinated ) and by playing a main role in the structure stability of the Ti-Al MGs.

  18. Atomic Scale Investigation of Structural Properties and Glass Forming Ability of Ti100-x Al x Metallic Glasses

    Science.gov (United States)

    Tahiri, M.; Hasnaoui, A.; Sbiaai, K.

    2018-03-01

    In this work, we employed molecular dynamics (MD) simulations to study Ti-Al metallic glasses (MGs) using the embedded atom method (EAM) potential to model the atomic interaction with different compositions. The results showed evidence of the metallic glass formation induced by the split occurring in the second peak of the radial distribution function (RDF) curves implying both Ti and Al atoms. The common neighbor analysis (CNA) method confirmed the presence of the icosahedral clusters with a maximum amount observed for an alloy with 75 pct of Al. Analysis of coordination numbers (CNs) indicated that the total CNs are nearly unchanged in these systems. Finally, Voronoi tessellation analyses (VTA) showed a higher value of the number of icosahedral units at Ti25Al75 composition. This specific composition represents a nearby peritectic point localized at a low melting point in the Ti-Al binary phase diagram. The glass forming ability (GFA) becomes important when the fraction of Al increases by forming and connecting "icosahedral-like" clusters (12-coordinated and 13-coordinated ) and by playing a main role in the structure stability of the Ti-Al MGs.

  19. Microscopic Structure of Metal Whiskers

    Science.gov (United States)

    Borra, Vamsi; Georgiev, Daniel G.; Karpov, V. G.; Shvydka, Diana

    2018-05-01

    We present TEM images of the interior of metal whiskers (MWs) grown on electroplated Sn films. Along with earlier published information, our observations focus on a number of questions, such as, why MWs' diameters are in the micron range (significantly exceeding the typical nanosizes of nuclei in solids), why the diameters remain practically unchanged in the course of MW growth, what the nature of MW diameter stochasticity is, and what the origin of the well-known striation structure of MW side surfaces is. In an attempt to address such questions, we perform an in-depth study of MW structure at the nanoscale by detaching a MW from its original film, reducing its size to a thin slice by cutting its sides by a focused ion beam, and performing TEM on that structure. Also, we examine the root of the MW and Cu-Sn interface for the intermetallic compounds. Our TEM observations reveal a rich nontrivial morphology suggesting that MWs may consist of many side-by-side grown filaments. This structure appears to extend to the outside whisker surface and be the reason for the striation. In addition, we put forward a theory where nucleation of multiple thin metal needles results in micron-scale and larger MW diameters. This theory is developed in the average field approximation similar to the roughening transitions of metal surfaces. The theory also predicts MW nucleation barriers and other observed features.

  20. Transparent and conductive electrodes by large-scale nano-structuring of noble metal thin-films

    DEFF Research Database (Denmark)

    Linnet, Jes; Runge Walther, Anders; Wolff, Christian

    2018-01-01

    grid, and nano-wire thin-films. The indium and carbon films do not match the chemical stability nor the electrical performance of the noble metals, and many metal films are not uniform in material distribution leading to significant surface roughness and randomized transmission haze. We demonstrate...

  1. Structural energetics of noble metals

    International Nuclear Information System (INIS)

    Mujibur Rahman, S.M.

    1982-06-01

    Structural energetics of the noble metals, namely Cu, Ag, and Au are investigated by employing a single-parameter pseudopotential. The calculations show that the lowest energy for all of these metals corresponds to FCC - their observed crystal structure. The one-electron contribution to the free energy is found to dominate the structural prediction for these metals. The present investigation strongly emphasizes that the effects due to band hybridization and core-core exchange play a significant role on the structural stability of the noble metals. (author)

  2. Electronic structure of metallic glasses

    International Nuclear Information System (INIS)

    Oelhafen, P.; Lapka, R.; Gubler, U.; Krieg, J.; DasGupta, A.; Guentherodt, H.J.; Mizoguchi, T.; Hague, C.; Kuebler, J.; Nagel, S.R.

    1981-01-01

    This paper is organized in six sections and deals with (1) the glassy transition metal alloys, their d-band structure, the d-band shifts on alloying and their relation to the alloy heat of formation (ΔH) and the glass forming ability, (2) the glass to crystal phase transition viewed by valence band spectroscopy, (3) band structure calculations, (4) metallic glasses prepared by laser glazing, (5) glassy normal metal alloys, and (6) glassy hydrides

  3. Minerals with metal-organic framework structures.

    Science.gov (United States)

    Huskić, Igor; Pekov, Igor V; Krivovichev, Sergey V; Friščić, Tomislav

    2016-08-01

    Metal-organic frameworks (MOFs) are an increasingly important family of advanced materials based on open, nanometer-scale metal-organic architectures, whose design and synthesis are based on the directed assembly of carefully designed subunits. We now demonstrate an unexpected link between mineralogy and MOF chemistry by discovering that the rare organic minerals stepanovite and zhemchuzhnikovite exhibit structures found in well-established magnetic and proton-conducting metal oxalate MOFs. Structures of stepanovite and zhemchuzhnikovite, exhibiting almost nanometer-wide and guest-filled apertures and channels, respectively, change the perspective of MOFs as exclusively artificial materials and represent, so far, unique examples of open framework architectures in organic minerals.

  4. Functional nanometer-scale structures

    Science.gov (United States)

    Chan, Tsz On Mario

    Nanometer-scale structures have properties that are fundamentally different from their bulk counterparts. Much research effort has been devoted in the past decades to explore new fabrication techniques, model the physical properties of these structures, and construct functional devices. The ability to manipulate and control the structure of matter at the nanoscale has made many new classes of materials available for the study of fundamental physical processes and potential applications. The interplay between fabrication techniques and physical understanding of the nanostructures and processes has revolutionized the physical and material sciences, providing far superior properties in materials for novel applications that benefit society. This thesis consists of two major aspects of my graduate research in nano-scale materials. In the first part (Chapters 3--6), a comprehensive study on the nanostructures based on electrospinning and thermal treatment is presented. Electrospinning is a well-established method for producing high-aspect-ratio fibrous structures, with fiber diameter ranging from 1 nm--1 microm. A polymeric solution is typically used as a precursor in electrospinning. In our study, the functionality of the nanostructure relies on both the nanostructure and material constituents. Metallic ions containing precursors were added to the polymeric precursor following a sol-gel process to prepare the solution suitable for electrospinning. A typical electrospinning process produces as-spun fibers containing both polymer and metallic salt precursors. Subsequent thermal treatments of the as-spun fibers were carried out in various conditions to produce desired structures. In most cases, polymer in the solution and the as-spun fibers acted as a backbone for the structure formation during the subsequent heat treatment, and were thermally removed in the final stage. Polymers were also designed to react with the metallic ion precursors during heat treatment in some

  5. 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.)

  6. Cooling pipeline disposing structure for large-scaled cryogenic structure

    International Nuclear Information System (INIS)

    Takahashi, Hiroyuki.

    1996-01-01

    The present invention concerns an electromagnetic force supporting structure for superconductive coils. As the size of a cryogenic structure is increased, since it takes much cooling time, temperature difference between cooling pipelines and the cryogenic structure is increased over a wide range, and difference of heat shrinkage is increased to increase thermal stresses. Then, in the cooling pipelines for a large scaled cryogenic structure, the cooling pipelines and the structure are connected by way of a thin metal plate made of a material having a heat conductivity higher than that of the material of the structure by one digit or more, and the thin metal plate is bent. The displacement between the cryogenic structure and the cooling pipelines caused by heat shrinkage is absorbed by the elongation/shrinkage of the bent structure of the thin metal plate, and the thermal stresses due to the displacement is reduced. In addition, the heat of the cryogenic structures is transferred by way of the thin metal plate. Then, the cooling pipelines can be secured to the cryogenic structure such that cooling by heat transfer is enabled by absorbing a great deviation or three dimensional displacement due to the difference of the temperature distribution between the cryogenic structure enlarged in the scale and put into the three dimensional shape, and the cooling pipelines. (N.H.)

  7. Scaling of structural failure

    Energy Technology Data Exchange (ETDEWEB)

    Bazant, Z.P. [Northwestern Univ., Evanston, IL (United States); Chen, Er-Ping [Sandia National Lab., Albuquerque, NM (United States)

    1997-01-01

    This article attempts to review the progress achieved in the understanding of scaling and size effect in the failure of structures. Particular emphasis is placed on quasibrittle materials for which the size effect is complicated. Attention is focused on three main types of size effects, namely the statistical size effect due to randomness of strength, the energy release size effect, and the possible size effect due to fractality of fracture or microcracks. Definitive conclusions on the applicability of these theories are drawn. Subsequently, the article discusses the application of the known size effect law for the measurement of material fracture properties, and the modeling of the size effect by the cohesive crack model, nonlocal finite element models and discrete element models. Extensions to compression failure and to the rate-dependent material behavior are also outlined. The damage constitutive law needed for describing a microcracked material in the fracture process zone is discussed. Various applications to quasibrittle materials, including concrete, sea ice, fiber composites, rocks and ceramics are presented.

  8. Structural evaluation of spent nuclear fuel storage facilities under aircraft crash impact (2). Horizontal impact test onto reduced scale metal cask due to aircraft engine missile

    International Nuclear Information System (INIS)

    Namba, Kosuke; Shirai, Koji; Saegusa, Toshiari

    2009-01-01

    In this study, to confirm the sealing performance of a metal cask subjected to impact force due to possible commercial aircraft crash against a spent fuel storage facility, the horizontal impact test was carried out. In the test, an aircraft engine missile with a speed of 57.3 m/s attacked the reduced scale metal cask containing helium gas, which stands vertically. Then the leak rate and sliding displacement of the lid were measured. The leak rate increased rapidly and reached to 4.0 x 10 -6 Pa·m 3 /sec. After that, the leak rate decreased slowly and converged to 1.0x10 -6 Pa·m 3 /sec after 20 hours from the impact test. The leak rate of a full scale cask was evaluated using that of reduced scale cask obtained by the test. Then the leak rate of the full scale cask was 3.5x10 -5 Pa·m 3 /sec. This result showed that the sealing performance of the full scale metal cask would not be affected immediately by the horizontal impact of the aircraft engine with a speed of 57.3 m/s. (author)

  9. Scaling structure loads for SMA

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Dong Won; Song, Jeong Guk; Jeon, Sang Ho; Lim, Hak Kyu; Lee, Kwang Nam [KEPCO ENC, Yongin (Korea, Republic of)

    2012-10-15

    When the Seismic Margin Analysis(SMA) is conducted, the new structural load generation with Seismic Margin Earthquake(SME) is the time consuming work. For the convenience, EPRI NP 6041 suggests the scaling of the structure load. The report recommend that the fixed base(rock foundation) structure designed using either constant modal damping or modal damping ratios developed for a single material damping. For these cases, the SME loads can easily and accurately be calculated by scaling the spectral accelerations of the individual modes for the new SME response spectra. EPRI NP 6041 provides two simple methodologies for the scaling structure seismic loads which are the dominant frequency scaling methodology and the mode by mode scaling methodology. Scaling of the existing analysis to develop SME loads is much easier and more efficient than performing a new analysis. This paper is intended to compare the calculating results of two different methodologies.

  10. Scaling structure loads for SMA

    International Nuclear Information System (INIS)

    Lee, Dong Won; Song, Jeong Guk; Jeon, Sang Ho; Lim, Hak Kyu; Lee, Kwang Nam

    2012-01-01

    When the Seismic Margin Analysis(SMA) is conducted, the new structural load generation with Seismic Margin Earthquake(SME) is the time consuming work. For the convenience, EPRI NP 6041 suggests the scaling of the structure load. The report recommend that the fixed base(rock foundation) structure designed using either constant modal damping or modal damping ratios developed for a single material damping. For these cases, the SME loads can easily and accurately be calculated by scaling the spectral accelerations of the individual modes for the new SME response spectra. EPRI NP 6041 provides two simple methodologies for the scaling structure seismic loads which are the dominant frequency scaling methodology and the mode by mode scaling methodology. Scaling of the existing analysis to develop SME loads is much easier and more efficient than performing a new analysis. This paper is intended to compare the calculating results of two different methodologies

  11. A DGTD method for the numerical modeling of the interaction of light with nanometer scale metallic structures taking into account non-local dispersion effects

    Energy Technology Data Exchange (ETDEWEB)

    Schmitt, Nikolai [Inria, 2004 Route des Lucioles, BP 93, 06902 Sophia Antipolis Cedex (France); Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder (TEMF), Schlossgartenstr. 8, 64289 Darmstadt (Germany); Scheid, Claire [Inria, 2004 Route des Lucioles, BP 93, 06902 Sophia Antipolis Cedex (France); University of Nice – Sophia Antipolis, Mathematics laboratory, Parc Valrose, 06108 Nice, Cedex 02 (France); Lanteri, Stéphane, E-mail: Stephane.Lanteri@inria.fr [Inria, 2004 Route des Lucioles, BP 93, 06902 Sophia Antipolis Cedex (France); Moreau, Antoine [Institut Pascal, Université Blaise Pascal, 24, avenue des Landais, 63171 Aubière Cedex (France); Viquerat, Jonathan [Inria, 2004 Route des Lucioles, BP 93, 06902 Sophia Antipolis Cedex (France)

    2016-07-01

    The interaction of light with metallic nanostructures is increasingly attracting interest because of numerous potential applications. Sub-wavelength metallic structures, when illuminated with a frequency close to the plasma frequency of the metal, present resonances that cause extreme local field enhancements. Exploiting the latter in applications of interest requires a detailed knowledge about the occurring fields which can actually not be obtained analytically. For the latter mentioned reason, numerical tools are thus an absolute necessity. The insight they provide is very often the only way to get a deep enough understanding of the very rich physics at play. For the numerical modeling of light-structure interaction on the nanoscale, the choice of an appropriate material model is a crucial point. Approaches that are adopted in a first instance are based on local (i.e. with no interaction between electrons) dispersive models, e.g. Drude or Drude–Lorentz models. From the mathematical point of view, when a time-domain modeling is considered, these models lead to an additional system of ordinary differential equations coupled to Maxwell's equations. However, recent experiments have shown that the repulsive interaction between electrons inside the metal makes the response of metals intrinsically non-local and that this effect cannot generally be overlooked. Technological achievements have enabled the consideration of metallic structures in a regime where such non-localities have a significant influence on the structures' optical response. This leads to an additional, in general non-linear, system of partial differential equations which is, when coupled to Maxwell's equations, significantly more difficult to treat. Nevertheless, dealing with a linearized non-local dispersion model already opens the route to numerous practical applications of plasmonics. In this work, we present a Discontinuous Galerkin Time-Domain (DGTD) method able to solve the system

  12. Dirac cones in isogonal hexagonal metallic structures

    Science.gov (United States)

    Wang, Kang

    2018-03-01

    A honeycomb hexagonal metallic lattice is equivalent to a triangular atomic one and cannot create Dirac cones in its electromagnetic wave spectrum. We study in this work the low-frequency electromagnetic band structures in isogonal hexagonal metallic lattices that are directly related to the honeycomb one and show that such structures can create Dirac cones. The band formation can be described by a tight-binding model that allows investigating, in terms of correlations between local resonance modes, the condition for the Dirac cones and the consequence of the third structure tile sustaining an extra resonance mode in the unit cell that induces band shifts and thus nonlinear deformation of the Dirac cones following the wave vectors departing from the Dirac points. We show further that, under structure deformation, the deformations of the Dirac cones result from two different correlation mechanisms, both reinforced by the lattice's metallic nature, which directly affects the resonance mode correlations. The isogonal structures provide new degrees of freedom for tuning the Dirac cones, allowing adjustment of the cone shape by modulating the structure tiles at the local scale without modifying the lattice periodicity and symmetry.

  13. Scaling behavior of heavy fermion metals

    Energy Technology Data Exchange (ETDEWEB)

    Shaginyan, V.R., E-mail: vrshag@thd.pnpi.spb.r [Petersburg Nuclear Physics Institute, RAS, Gatchina, 188300 (Russian Federation); CTSPS, Clark Atlanta University, Atlanta, GA 30314 (United States); Amusia, M.Ya. [Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel); Ioffe Physical Technical Institute, RAS, St. Petersburg 194021 (Russian Federation); Msezane, A.Z. [CTSPS, Clark Atlanta University, Atlanta, GA 30314 (United States); Popov, K.G. [Komi Science Center, Ural Division, RAS, 3a, Chernova str. Syktyvkar, 167982 (Russian Federation)

    2010-07-15

    Strongly correlated Fermi systems are fundamental systems in physics that are best studied experimentally, which until very recently have lacked theoretical explanations. This review discusses the construction of a theory and the analysis of phenomena occurring in strongly correlated Fermi systems such as heavy-fermion (HF) metals and two-dimensional (2D) Fermi systems. It is shown that the basic properties and the scaling behavior of HF metals can be described within the framework of a fermion condensation quantum phase transition (FCQPT) and an extended quasiparticle paradigm that allow us to explain the non-Fermi liquid behavior observed in strongly correlated Fermi systems. In contrast to the Landau paradigm stating that the quasiparticle effective mass is a constant, the effective mass of new quasiparticles strongly depends on temperature, magnetic field, pressure, and other parameters. Having analyzed the collected facts on strongly correlated Fermi systems with quite a different microscopic nature, we find these to exhibit the same non-Fermi liquid behavior at FCQPT. We show both analytically and using arguments based entirely on the experimental grounds that the data collected on very different strongly correlated Fermi systems have a universal scaling behavior, and materials with strongly correlated fermions can unexpectedly be uniform in their diversity. Our analysis of strongly correlated systems such as HF metals and 2D Fermi systems is in the context of salient experimental results. Our calculations of the non-Fermi liquid behavior, the scales and thermodynamic, relaxation and transport properties are in good agreement with experimental facts.

  14. Structural disorder in metallic glass-forming liquids.

    Science.gov (United States)

    Pan, Shao-Peng; Feng, Shi-Dong; Wang, Li-Min; Qiao, Jun-Wei; Niu, Xiao-Feng; Dong, Bang-Shao; Wang, Wei-Min; Qin, Jing-Yu

    2016-06-09

    We investigated structural disorder by a new structural parameter, quasi-nearest atom (QNA), in atomistic configurations of eight metallic glass-forming systems generated through molecular dynamics simulations at various temperatures. Structural analysis reveals that the scaled distribution of the number of QNA appears to be an universal property of metallic liquids and the spatial distribution of the number of QNA displays to be clearly heterogeneous. Furthermore, the new parameter can be directly correlated with potential energy and structural relaxation at the atomic level. Some straightforward relationships between QNA and other properties (per-atom potential energy and α-relaxation time) are introduced to reflect structure-property relationship in metallic liquids. We believe that the new structural parameter can well reflect structure disorder in metallic liquids and play an important role in understanding various properties in metallic liquids.

  15. Atomic-Scale Origin of the Quasi-One-Dimensional Metallic Conductivity in Strontium Niobates with Perovskite-Related Layered Structures.

    Science.gov (United States)

    Chen, Chunlin; Yin, Deqiang; Inoue, Kazutoshi; Lichtenberg, Frank; Ma, Xiuliang; Ikuhara, Yuichi; Bednorz, Johannes Georg

    2017-12-26

    The quasi-one-dimensional (1D) metallic conductivity of the perovskite-related Sr n Nb n O 3n+2 compounds is of continuing fundamental physical interest as well as being important for developing advanced electronic devices. The Sr n Nb n O 3n+2 compounds can be derived by introducing additional oxygen into the SrNbO 3 perovskite. However, the physical origin for the transition of electrical properties from the three-dimensional (3D) isotropic conductivity in SrNbO 3 to the quasi-1D metallic conductivity in Sr n Nb n O 3n+2 requires more in-depth clarification. Here we combine advanced transmission electron microscopy with atomistic first-principles calculations to unambiguously determine the atomic and electronic structures of the Sr n Nb n O 3n+2 compounds and reveal the underlying mechanism for their quasi-1D metallic conductivity. We demonstrate that the local electrical conductivity in the Sr n Nb n O 3n+2 compounds directly depends on the configuration of the NbO 6 octahedra in local regions. These findings will shed light on the realization of two-dimensional (2D) electrical conductivity from a bulk material, namely by segmenting a 3D conductor into a stack of 2D conducting thin layers.

  16. Wafer-scale laser lithography. I. Pyrolytic deposition of metal microstructures

    International Nuclear Information System (INIS)

    Herman, I.P.; Hyde, R.A.; McWilliams, B.M.; Weisberg, A.H.; Wood, L.L.

    1982-01-01

    Mechanisms for laser-driven pyrolytic deposition of micron-scale metal structures on crystalline silicon have been studied. Models have been developed to predict temporal and spatial propeties of laser-induced pyrolytic deposition processes. An argon ion laser-based apparatus has been used to deposit metal by pyrolytic decomposition of metal alkyl and carbonyl compounds, in order to evaluate the models. These results of these studies are discussed, along with their implications for the high-speed creation of micron-scale metal structures in ultra-large scale integrated circuit systems. 4 figures

  17. Large scale structure and baryogenesis

    International Nuclear Information System (INIS)

    Kirilova, D.P.; Chizhov, M.V.

    2001-08-01

    We discuss a possible connection between the large scale structure formation and the baryogenesis in the universe. An update review of the observational indications for the presence of a very large scale 120h -1 Mpc in the distribution of the visible matter of the universe is provided. The possibility to generate a periodic distribution with the characteristic scale 120h -1 Mpc through a mechanism producing quasi-periodic baryon density perturbations during inflationary stage, is discussed. The evolution of the baryon charge density distribution is explored in the framework of a low temperature boson condensate baryogenesis scenario. Both the observed very large scale of a the visible matter distribution in the universe and the observed baryon asymmetry value could naturally appear as a result of the evolution of a complex scalar field condensate, formed at the inflationary stage. Moreover, for some model's parameters a natural separation of matter superclusters from antimatter ones can be achieved. (author)

  18. Structure of polyvalent metal halide melts

    International Nuclear Information System (INIS)

    Tosi, M.P.

    1990-12-01

    A short review is given of recent progress in determining and understanding the structure of molten halide salts involving polyvalent metal ions. It covers the following three main topics: (i) melting mechanisms and types of liquid structure for pure polyvalent-metal chlorides; (ii) geometry and stability of local coordination for polyvalent metal ions in molten mixtures of their halides with alkali halides; and (iii) structure breaking and electron localization on addition of metal to the melt. (author). 28 refs, 3 figs, 1 tab

  19. Wafer-scale controlled exfoliation of metal organic vapor phase epitaxy grown InGaN/GaN multi quantum well structures using low-tack two-dimensional layered h-BN

    Energy Technology Data Exchange (ETDEWEB)

    Ayari, Taha; Li, Xin; Voss, Paul L.; Ougazzaden, Abdallah, E-mail: aougazza@georgiatech-metz.fr [School of Electrical and Computer Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States); Georgia Tech Lorraine, UMI 2958, Georgia Tech-CNRS, 57070 Metz (France); Sundaram, Suresh; El Gmili, Youssef [Georgia Tech Lorraine, UMI 2958, Georgia Tech-CNRS, 57070 Metz (France); Salvestrini, Jean Paul [Georgia Tech Lorraine, UMI 2958, Georgia Tech-CNRS, 57070 Metz (France); Université de Lorraine, LMOPS, EA 4423, 57070 Metz (France)

    2016-04-25

    Recent advances in epitaxial growth have led to the growth of III-nitride devices on 2D layered h-BN. This advance has the potential for wafer-scale transfer to arbitrary substrates, which could improve the thermal management and would allow III-N devices to be used more flexibly in a broader range of applications. We report wafer scale exfoliation of a metal organic vapor phase epitaxy grown InGaN/GaN Multi Quantum Well (MQW) structure from a 5 nm thick h-BN layer that was grown on a 2-inch sapphire substrate. The weak van der Waals bonds between h-BN atomic layers break easily, allowing the MQW structure to be mechanically lifted off from the sapphire substrate using a commercial adhesive tape. This results in the surface roughness of only 1.14 nm on the separated surface. Structural characterizations performed before and after the lift-off confirm the conservation of structural properties after lift-off. Cathodoluminescence at 454 nm was present before lift-off and 458 nm was present after. Electroluminescence near 450 nm from the lifted-off structure has also been observed. These results show that the high crystalline quality ultrathin h-BN serves as an effective sacrificial layer—it maintains performance, while also reducing the GaN buffer thickness and temperature ramps as compared to a conventional two-step growth method. These results support the use of h-BN as a low-tack sacrificial underlying layer for GaN-based device structures and demonstrate the feasibility of large area lift-off and transfer to any template, which is important for industrial scale production.

  20. Electromagnetic Behaviour of Metallic Wire Structures

    CERN Document Server

    Chui, S T

    2013-01-01

    Despite the recent development and interest in the photonics of metallic wire structures, the relatively simple concepts and physics often remain obscured or poorly explained to those who do not specialize in the field. Electromagnetic Behaviour of Metallic Wire Structures provides a clear and coherent guide to understanding these phenomena without excessive numerical calculations.   Including both background material and detailed derivations of the various different formulae applied, Electromagnetic Behaviour of Metallic Wire Structures describes how to extend basic circuit theory relating to voltages, currents, and resistances of metallic wire networks to include situations where the currents are no longer spatially uniform along the wire. This lays a foundation for a deeper understanding of the many new phenomena observed in meta-electromagnetic materials.   Examples of applications are included to support this new approach making Electromagnetic Behaviour of Metallic Wire Structures a comprehensive and ...

  1. Structure and properties of metals

    CERN Document Server

    Kurzydlowski, K J

    1999-01-01

    Metals are one of the most widely used types of engineering materials. Some of their properties, e.g. elastic constants, can be directly related to the nature of the metallic bonds between the atoms. On the other hand, macro- and $9 microstructural features of metals, such as point defects, dislocations, grain boundaries, and second phase particles, control their yield, flow, and fracture stress. Images of microstructural elements can be obtained by modern $9 imaging techniques. Modern computer aided methods can be further used to obtain a quantitative description of these microstructures. These methods take advantage of the progress made in recent years in the field of image processing, $9 mathematical morphology and quantitative stereology. Quantitative description of the microstructures are used for modeling processes taking place under the action of applied load at a given temperature and test (service) environment. $9 These model considerations can be illustrated on the example of an austenitic stainless...

  2. Large scale nuclear structure studies

    International Nuclear Information System (INIS)

    Faessler, A.

    1985-01-01

    Results of large scale nuclear structure studies are reported. The starting point is the Hartree-Fock-Bogoliubov solution with angular momentum and proton and neutron number projection after variation. This model for number and spin projected two-quasiparticle excitations with realistic forces yields in sd-shell nuclei similar good results as the 'exact' shell-model calculations. Here the authors present results for a pf-shell nucleus 46 Ti and results for the A=130 mass region where they studied 58 different nuclei with the same single-particle energies and the same effective force derived from a meson exchange potential. They carried out a Hartree-Fock-Bogoliubov variation after mean field projection in realistic model spaces. In this way, they determine for each yrast state the optimal mean Hartree-Fock-Bogoliubov field. They apply this method to 130 Ce and 128 Ba using the same effective nucleon-nucleon interaction. (Auth.)

  3. Structural-chemical characteristics of implanted metals

    International Nuclear Information System (INIS)

    Kozejkin, B.V.; Pavlov, P.V.; Pitirimova, E.A.; Frolov, A.I.

    1988-01-01

    Corrosion and structural characteristics of metallic layers implanted by ions of chemically active impurities and noble gases are studied. Dependence of experimental results on parameters of initial materials and technological conditions of implantation is established. In studying corrosion characteristics of implanted metals a strong dependence of chemical passivation effect on technological conditions of ion-implantation and structure of initial material is stated. On the basis of developed mathematical model of chemical passivation effect it is shown that increase of corrosion characteristics of implanted metals is defined by superposition of surface and volumetric mechanisms

  4. Structure and energetics of trivalent metal halides

    International Nuclear Information System (INIS)

    Hutchinson, F.

    1999-01-01

    Metal trihalide (MX 3 ) systems represent a stern challenge in terms of constructing transferable potential models. Starting from a previously published set of potentials, 'extended' ionic models are developed which, at the outset, include only anion polarization. Deficiencies in these models, particularly for smaller (highly polarizing) cations, axe shown to be significant. For example, crystal structures different to those observed experimentally axe adopted. The potentials axe improved upon by reference to ab initio information available for alkali halides with the 'constraint' that the parameters transfer systematically in a physically transparent manner, for example, in terms of ion radii. The possible influence of anion compression ('breathing') and the relative abundance of anion-anion interactions are considered. Simulation techniques axe developed to allow for the effective simulation of any system symmetry and for the study of transitions between different crystals (constant stress). The developed models are fully tested for a large range of metal trichloride (MCl 3 ) systems. Particular attention is paid to the comparison with recent neutron and X-ray diffraction data on the liquid state. Polarization effects axe shown to be vital in reproducing strong experimental features. The excellent agreement between simulation and experiment allows for differences in experimental procedures to be highlighted. The transferability is further tested by modelling mixtures of the lanthanides with alkali halides with potentials unchanged from the pure systems. The complex evolution of the melt structure is highlighted as the concentration of MCl 3 increases. The effectiveness of the models is tested by reference to dynamical properties. Particular attention is paid to the comparison with Raman scattering data available for a wide range of systems and mixture concentrations. The simulated spectra are generated both by a simple molecular picture of the underlying

  5. Causal inference between bioavailability of heavy metals and environmental factors in a large-scale region

    International Nuclear Information System (INIS)

    Liu, Yuqiong; Du, Qingyun; Wang, Qi; Yu, Huanyun; Liu, Jianfeng; Tian, Yu; Chang, Chunying; Lei, Jing

    2017-01-01

    The causation between bioavailability of heavy metals and environmental factors are generally obtained from field experiments at local scales at present, and lack sufficient evidence from large scales. However, inferring causation between bioavailability of heavy metals and environmental factors across large-scale regions is challenging. Because the conventional correlation-based approaches used for causation assessments across large-scale regions, at the expense of actual causation, can result in spurious insights. In this study, a general approach framework, Intervention calculus when the directed acyclic graph (DAG) is absent (IDA) combined with the backdoor criterion (BC), was introduced to identify causation between the bioavailability of heavy metals and the potential environmental factors across large-scale regions. We take the Pearl River Delta (PRD) in China as a case study. The causal structures and effects were identified based on the concentrations of heavy metals (Zn, As, Cu, Hg, Pb, Cr, Ni and Cd) in soil (0–20 cm depth) and vegetable (lettuce) and 40 environmental factors (soil properties, extractable heavy metals and weathering indices) in 94 samples across the PRD. Results show that the bioavailability of heavy metals (Cd, Zn, Cr, Ni and As) was causally influenced by soil properties and soil weathering factors, whereas no causal factor impacted the bioavailability of Cu, Hg and Pb. No latent factor was found between the bioavailability of heavy metals and environmental factors. The causation between the bioavailability of heavy metals and environmental factors at field experiments is consistent with that on a large scale. The IDA combined with the BC provides a powerful tool to identify causation between the bioavailability of heavy metals and environmental factors across large-scale regions. Causal inference in a large system with the dynamic changes has great implications for system-based risk management. - Causation between the

  6. Studies on metal-dielectric plasmonic structures.

    Energy Technology Data Exchange (ETDEWEB)

    Chettiar, Uday K. (Purdue University, West Lafayette, IN); Liu, Zhengtong (Purdue University, West Lafayette, IN); Thoreson, Mark D. (Purdue University, West Lafayette, IN); Shalaev, Vladimir M. (Purdue University, West Lafayette, IN); Drachev, Vladimir P. (Purdue University, West Lafayette, IN); Pack, Michael Vern; Kildishev, Alexander V. (Purdue University, West Lafayette, IN); Nyga, Piotr (Purdue University, West Lafayette, IN)

    2010-01-01

    The interaction of light with nanostructured metal leads to a number of fascinating phenomena, including plasmon oscillations that can be harnessed for a variety of cutting-edge applications. Plasmon oscillation modes are the collective oscillation of free electrons in metals under incident light. Previously, surface plasmon modes have been used for communication, sensing, nonlinear optics and novel physics studies. In this report, we describe the scientific research completed on metal-dielectric plasmonic films accomplished during a multi-year Purdue Excellence in Science and Engineering Graduate Fellowship sponsored by Sandia National Laboratories. A variety of plasmonic structures, from random 2D metal-dielectric films to 3D composite metal-dielectric films, have been studied in this research for applications such as surface-enhanced Raman sensing, tunable superlenses with resolutions beyond the diffraction limit, enhanced molecular absorption, infrared obscurants, and other real-world applications.

  7. Deformed metals - structure, recrystallisation and strength

    DEFF Research Database (Denmark)

    Hansen, Niels; Juul Jensen, Dorte

    2011-01-01

    It is shown how new discoveries and advanced experimental techniques in the last 25 years have led to paradigm shifts in the analysis of deformation and annealing structures of metals and in the way the strength of deformed samples is related to structural parameters. This is described in three...

  8. t matrix of metallic wire structures

    International Nuclear Information System (INIS)

    Zhan, T. R.; Chui, S. T.

    2014-01-01

    To study the electromagnetic resonance and scattering properties of complex structures of which metallic wire structures are constituents within multiple scattering theory, the t matrix of individual structures is needed. We have recently developed a rigorous and numerically efficient equivalent circuit theory in which retardation effects are taken into account for metallic wire structures. Here, we show how the t matrix can be calculated analytically within this theory. We illustrate our method with the example of split ring resonators. The density of states and cross sections for scattering and absorption are calculated, which are shown to be remarkably enhanced at resonant frequencies. The t matrix serves as the basic building block to evaluate the interaction of wire structures within the framework of multiple scattering theory. This will open the door to efficient design and optimization of assembly of wire structures

  9. Designing of Metallic Photonic Structures and Applications

    International Nuclear Information System (INIS)

    Yong-Sung Kim

    2006-01-01

    In this thesis our main interest has been to investigate metallic photonic crystal and its applications. We explained how to solve a periodic photonic structure with transfer matrix method and when and how to use modal expansion method. Two different coating methods were introduced, modifying a photonic structure's intrinsic optical properties and rigorous calculation results are presented. Two applications of metallic photonic structures are introduced. For thermal emitter, we showed how to design and find optimal structure. For conversion efficiency increasing filter, we calculated its efficiency and the way to design it. We presented the relation between emitting light spectrum and absorption and showed the material and structural dependency of the absorption spectrum. By choosing a proper base material and structural parameters, we can design a selective emitter at a certain region we are interested in. We have developed a theoretical model to analyze a blackbody filament enclosed by a metallic mesh which can increase the efficiency of converting a blackbody radiation to visible light. With this model we found that a square lattice metallic mesh enclosing a filament might increase the efficiency of incandescent lighting sources. Filling fraction and thickness dependency were examined and presented. Combining these two parameters is essential to achieve the maximum output result

  10. Dermatitis in small-scale metal industries

    Energy Technology Data Exchange (ETDEWEB)

    Coenraads, P J; Foo, S C; Phoon, W O; Lun, K C

    1985-03-01

    A survey in 21 small metal factories in Singapore revealed that 6.6% of 751 workers (530 male, 221 female) had a skin disorder on their hands and arms. Dermatitis accounted for 4.5% (34 cases) and follicular rashes for 1% (8 cases). Positive patch tests were found in 23% (8 cases) of those with dermatitis and in 9.8% (21 workers) of a control group without any skin problem. Dermatitis was found to be associated with exposure to solvents. Simultaneous analysis of various exposure/risk factors by multiple logistic regression indicated a significant effect of combined exposure to oils and solvents (interaction). Being over 35 years of age was also a significant risk factor, whereas the role of contact allergy, detected by patch testing, was less pronounced.

  11. Workshop Report on Additive Manufacturing for Large-Scale Metal Components - Development and Deployment of Metal Big-Area-Additive-Manufacturing (Large-Scale Metals AM) System

    Energy Technology Data Exchange (ETDEWEB)

    Babu, Sudarsanam Suresh [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Manufacturing Demonstration Facility; Love, Lonnie J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Manufacturing Demonstration Facility; Peter, William H. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Manufacturing Demonstration Facility; Dehoff, Ryan [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Manufacturing Demonstration Facility

    2016-05-01

    Additive manufacturing (AM) is considered an emerging technology that is expected to transform the way industry can make low-volume, high value complex structures. This disruptive technology promises to replace legacy manufacturing methods for the fabrication of existing components in addition to bringing new innovation for new components with increased functional and mechanical properties. This report outlines the outcome of a workshop on large-scale metal additive manufacturing held at Oak Ridge National Laboratory (ORNL) on March 11, 2016. The charter for the workshop was outlined by the Department of Energy (DOE) Advanced Manufacturing Office program manager. The status and impact of the Big Area Additive Manufacturing (BAAM) for polymer matrix composites was presented as the background motivation for the workshop. Following, the extension of underlying technology to low-cost metals was proposed with the following goals: (i) High deposition rates (approaching 100 lbs/h); (ii) Low cost (<$10/lbs) for steel, iron, aluminum, nickel, as well as, higher cost titanium, (iii) large components (major axis greater than 6 ft) and (iv) compliance of property requirements. The above concept was discussed in depth by representatives from different industrial sectors including welding, metal fabrication machinery, energy, construction, aerospace and heavy manufacturing. In addition, DOE’s newly launched High Performance Computing for Manufacturing (HPC4MFG) program was reviewed. This program will apply thermo-mechanical models to elucidate deeper understanding of the interactions between design, process, and materials during additive manufacturing. Following these presentations, all the attendees took part in a brainstorming session where everyone identified the top 10 challenges in large-scale metal AM from their own perspective. The feedback was analyzed and grouped in different categories including, (i) CAD to PART software, (ii) selection of energy source, (iii

  12. Causal inference between bioavailability of heavy metals and environmental factors in a large-scale region.

    Science.gov (United States)

    Liu, Yuqiong; Du, Qingyun; Wang, Qi; Yu, Huanyun; Liu, Jianfeng; Tian, Yu; Chang, Chunying; Lei, Jing

    2017-07-01

    The causation between bioavailability of heavy metals and environmental factors are generally obtained from field experiments at local scales at present, and lack sufficient evidence from large scales. However, inferring causation between bioavailability of heavy metals and environmental factors across large-scale regions is challenging. Because the conventional correlation-based approaches used for causation assessments across large-scale regions, at the expense of actual causation, can result in spurious insights. In this study, a general approach framework, Intervention calculus when the directed acyclic graph (DAG) is absent (IDA) combined with the backdoor criterion (BC), was introduced to identify causation between the bioavailability of heavy metals and the potential environmental factors across large-scale regions. We take the Pearl River Delta (PRD) in China as a case study. The causal structures and effects were identified based on the concentrations of heavy metals (Zn, As, Cu, Hg, Pb, Cr, Ni and Cd) in soil (0-20 cm depth) and vegetable (lettuce) and 40 environmental factors (soil properties, extractable heavy metals and weathering indices) in 94 samples across the PRD. Results show that the bioavailability of heavy metals (Cd, Zn, Cr, Ni and As) was causally influenced by soil properties and soil weathering factors, whereas no causal factor impacted the bioavailability of Cu, Hg and Pb. No latent factor was found between the bioavailability of heavy metals and environmental factors. The causation between the bioavailability of heavy metals and environmental factors at field experiments is consistent with that on a large scale. The IDA combined with the BC provides a powerful tool to identify causation between the bioavailability of heavy metals and environmental factors across large-scale regions. Causal inference in a large system with the dynamic changes has great implications for system-based risk management. Copyright © 2017 Elsevier Ltd. All

  13. On the structure of heavy metals

    International Nuclear Information System (INIS)

    Friedel, J.

    1958-01-01

    The properties of the last series of Mendeleef's table are compared with those of the elements of the preceding series. This comparison suggests an electronic structure of the 'transition metal' type, with narrow bands, at the beginning of this series (up to certain phases at least of plutonium); then of the rare earth metal type, with independent non-saturated internal layers, further on in the series. The 5 f orbits seem to play an important part in these two types of structure, from uranium on. A more detailed study of the very heavy elements (americium and beyond) and alloys would allow these conclusions to be confirmed. Certain general points, concerning the nature of homopolar connections and paramagnetism in the transition metals, are developed in an additional section. (author) [fr

  14. Electronic structure of hcp transition metals

    DEFF Research Database (Denmark)

    Jepsen, O.; Andersen, O. Krogh; Mackintosh, A. R.

    1975-01-01

    Using the linear muffin-tin-orbital method described in the previous paper, we have calculated the electronic structures of the hcp transition metals, Zr, Hf, Ru, and Os. We show how the band structures of these metals may be synthesized from the sp and d bands, and illustrate the effects...... of hybridization, relativistic band shifts, and spin-orbit coupling by the example of Os. By making use of parameters derived from the muffin-tin potential, we discuss trends in the positions and widths of the energy bands, especially the d bands, as a function of the location in the periodic table. The densities...... of states of the four metals are presented, and the calculated heat capacities compared with experiment. The Fermi surfaces of both Ru and Os are found to be in excellent quantitative agreement with de Haas-van Alphen measurements, indicating that the calculated d-band position is misplaced by less than 10...

  15. Multi-scale modeling of ductile failure in metallic alloys

    International Nuclear Information System (INIS)

    Pardoen, Th.; Scheyvaerts, F.; Simar, A.; Tekoglu, C.; Onck, P.R.

    2010-01-01

    Micro-mechanical models for ductile failure have been developed in the seventies and eighties essentially to address cracking in structural applications and complement the fracture mechanics approach. Later, this approach has become attractive for physical metallurgists interested by the prediction of failure during forming operations and as a guide for the design of more ductile and/or high-toughness microstructures. Nowadays, a realistic treatment of damage evolution in complex metallic microstructures is becoming feasible when sufficiently sophisticated constitutive laws are used within the context of a multilevel modelling strategy. The current understanding and the state of the art models for the nucleation, growth and coalescence of voids are reviewed with a focus on the underlying physics. Considerations are made about the introduction of the different length scales associated with the microstructure and damage process. Two applications of the methodology are then described to illustrate the potential of the current models. The first application concerns the competition between intergranular and transgranular ductile fracture in aluminum alloys involving soft precipitate free zones along the grain boundaries. The second application concerns the modeling of ductile failure in friction stir welded joints, a problem which also involves soft and hard zones, albeit at a larger scale. (authors)

  16. Structural investigations of some metallic glasses

    International Nuclear Information System (INIS)

    Sietsma, J.

    1987-03-01

    Metallic glasses were prepared by the melt spinning technique from iron and nickel alloys (Fe-Ni-P; Fe-B; Ni-Nb; Ni-B). Structure investigations were made by means of neutron diffraction experiments. Distribution functions and range orders were determined. (Auth.)

  17. Multi Scale Models for Flexure Deformation in Sheet Metal Forming

    Directory of Open Access Journals (Sweden)

    Di Pasquale Edmondo

    2016-01-01

    Full Text Available This paper presents the application of multi scale techniques to the simulation of sheet metal forming using the one-step method. When a blank flows over the die radius, it undergoes a complex cycle of bending and unbending. First, we describe an original model for the prediction of residual plastic deformation and stresses in the blank section. This model, working on a scale about one hundred times smaller than the element size, has been implemented in SIMEX, one-step sheet metal forming simulation code. The utilisation of this multi-scale modeling technique improves greatly the accuracy of the solution. Finally, we discuss the implications of this analysis on the prediction of springback in metal forming.

  18. MetalS(3), a database-mining tool for the identification of structurally similar metal sites.

    Science.gov (United States)

    Valasatava, Yana; Rosato, Antonio; Cavallaro, Gabriele; Andreini, Claudia

    2014-08-01

    We have developed a database search tool to identify metal sites having structural similarity to a query metal site structure within the MetalPDB database of minimal functional sites (MFSs) contained in metal-binding biological macromolecules. MFSs describe the local environment around the metal(s) independently of the larger context of the macromolecular structure. Such a local environment has a determinant role in tuning the chemical reactivity of the metal, ultimately contributing to the functional properties of the whole system. The database search tool, which we called MetalS(3) (Metal Sites Similarity Search), can be accessed through a Web interface at http://metalweb.cerm.unifi.it/tools/metals3/ . MetalS(3) uses a suitably adapted version of an algorithm that we previously developed to systematically compare the structure of the query metal site with each MFS in MetalPDB. For each MFS, the best superposition is kept. All these superpositions are then ranked according to the MetalS(3) scoring function and are presented to the user in tabular form. The user can interact with the output Web page to visualize the structural alignment or the sequence alignment derived from it. Options to filter the results are available. Test calculations show that the MetalS(3) output correlates well with expectations from protein homology considerations. Furthermore, we describe some usage scenarios that highlight the usefulness of MetalS(3) to obtain mechanistic and functional hints regardless of homology.

  19. Computational applications of DNA structural scales

    DEFF Research Database (Denmark)

    Baldi, P.; Chauvin, Y.; Brunak, Søren

    1998-01-01

    that these scales provide an alternative or complementary compact representation of DNA sequences. As an example, we construct a strand-invariant representation of DNA sequences. The scales can also be used to analyze and discover new DNA structural patterns, especially in combination with hidden Markov models......Studies several different physical scales associated with the structural features of DNA sequences from a computational standpoint, including dinucleotide scales, such as base stacking energy and propeller twist, and trinucleotide scales, such as bendability and nucleosome positioning. We show...

  20. Structure of deformed metals. Struktura deformirovannykh metallov

    Energy Technology Data Exchange (ETDEWEB)

    Bernshtein, M L

    1977-01-01

    A teaching aid for students at metallurgical and machine-building institutions of higher learning. It can also be used by engineering-technical personnel and scientists. A presentation is made of physical concepts on the mechanism of plastic deformation and its effect on fine structure, structure and properties of metals and alloys. An examination is made of the processes of recovery, polygonization and recrystallization during the heating of cold-deformed metals. The influence of thermal deformation is described to account for the interaction between admixture atoms and dislocations, phase and structural transformations. An examination is made of the phenomenon of superplasticity. Special attention is given to the process of hot deformation. An analysis is made of phenomena at the basis of hardening steel as a result of thermo-mechanical processing, including controlled rolling.

  1. Small scale structure on cosmic strings

    International Nuclear Information System (INIS)

    Albrecht, A.

    1989-01-01

    I discuss our current understanding of cosmic string evolution, and focus on the question of small scale structure on strings, where most of the disagreements lie. I present a physical picture designed to put the role of the small scale structure into more intuitive terms. In this picture one can see how the small scale structure can feed back in a major way on the overall scaling solution. I also argue that it is easy for small scale numerical errors to feed back in just such a way. The intuitive discussion presented here may form the basis for an analytic treatment of the small structure, which I argue in any case would be extremely valuable in filling the gaps in our resent understanding of cosmic string evolution. 24 refs., 8 figs

  2. Liquid structure and melting of trivalent metal chlorides

    International Nuclear Information System (INIS)

    Tosi, M.P.; Pastore, G.; Saboungi, M.L.; Price, D.L.

    1991-03-01

    Many divalent and trivalent metal ions in stoichiometric liquid mixtures of their halides with alkali halides are fourfold or sixfold coordinated by halogens into relatively long-lived ''complexes''. The stability of these local coordination states and the connectivity that arises between them in the approach to the pure polyvalent metal halide melt determines the character of its short-range and possible intermediate-range order. The available evidence on local coordination in some 140 mixtures has been successfully classified by a structure sorting method based on Pettifor's chemical scale of the elements. Within the general phenomenological frame provided by structure sorting, main attention is given in this work to the liquid structure and melting mechanisms of trivalent metal chlorides. The liquid structure of YCl 3 is first discussed on the basis of neutron diffraction measurements and of calculations within a simple ionic model, and the melting mechanisms of YCl 3 and AlCl 3 , which are structurally isomorphous in the crystalline state, are contrasted. By appeal to macroscopic melting parameters and transport coefficients and to liquid structure data on SbCl 3 , it is proposed that the melting mechanisms of these salts may be classified into three main types in correlation with the character of the chemical bond. (author). 31 refs, 1 fig., 3 tabs

  3. Current correlations in superconductor - normal metal mesoscopic structures

    International Nuclear Information System (INIS)

    Bignon, Guillaume

    2005-01-01

    Thanks to the experimental progress in miniaturization and cryogenics over the last twenty years, it is now possible to build sufficiently small electric circuits where the wave like nature of electron becomes significant. In such electric circuit transport properties like current and noise are modified. It corresponds to the mesoscopic scale. Moreover, connecting a mesoscopic circuit to a superconductor enhances the effects due to interference between electrons since a superconductor is a macroscopic source of coherent electrons pairs: the Cooper pairs. In this thesis, we study current correlations in mesoscopic normal metal - superconductor structures. First, the energy dependence of current noise in a normal metal - superconductor tunnel junction is analysed taking into account weak disorder and interactions. We show that if the normal metal is out of equilibrium, current and noise become independent. Next, we consider the case of a superconductor connected to two normal metals by tunnel junctions. We show that it is possible to change the sign of current crossed correlation by tuning the voltages and that it can be used to probe the size of the Cooper pairs. Lastly, using Usadel's quasi-classic theory, we study the energy dependence of noise in a normal metal - normal metal - superconductor double junction. We show that barrier's transparencies modifies significantly both current and noise. (author) [fr

  4. Eddy current technologies for thick metal structures

    International Nuclear Information System (INIS)

    Takagi, Toshiyuki; Endo, Hisashi

    2004-01-01

    One of approach of an eddy current testing (ECT) for thick metal structures is introduced. The detection limit of ECT is capable of enlarging thick more than 10 mm, which is ordinarily about 5 mm, by the design of probe. On the basis of results of numerical analysis, the defect detection in thick and shape is evaluated by the distribution of experimental ECT signals. The problems of ECT for thick metal structures and measures, approach to probe design, the specifications of probe, evaluation of experimental results and defect detection are described. By ECT fast simulator, good slit sharp is simulated in the case of 10 and 20 mm of EDM slit length and 5, 10 and 15 mm of slit height. (S.Y.)

  5. Similar star formation rate and metallicity variability time-scales drive the fundamental metallicity relation

    Science.gov (United States)

    Torrey, Paul; Vogelsberger, Mark; Hernquist, Lars; McKinnon, Ryan; Marinacci, Federico; Simcoe, Robert A.; Springel, Volker; Pillepich, Annalisa; Naiman, Jill; Pakmor, Rüdiger; Weinberger, Rainer; Nelson, Dylan; Genel, Shy

    2018-06-01

    The fundamental metallicity relation (FMR) is a postulated correlation between galaxy stellar mass, star formation rate (SFR), and gas-phase metallicity. At its core, this relation posits that offsets from the mass-metallicity relation (MZR) at a fixed stellar mass are correlated with galactic SFR. In this Letter, we use hydrodynamical simulations to quantify the time-scales over which populations of galaxies oscillate about the average SFR and metallicity values at fixed stellar mass. We find that Illustris and IllustrisTNG predict that galaxy offsets from the star formation main sequence and MZR oscillate over similar time-scales, are often anticorrelated in their evolution, evolve with the halo dynamical time, and produce a pronounced FMR. Our models indicate that galaxies oscillate about equilibrium SFR and metallicity values - set by the galaxy's stellar mass - and that SFR and metallicity offsets evolve in an anticorrelated fashion. This anticorrelated variability of the metallicity and SFR offsets drives the existence of the FMR in our models. In contrast to Illustris and IllustrisTNG, we speculate that the SFR and metallicity evolution tracks may become decoupled in galaxy formation models dominated by feedback-driven globally bursty SFR histories, which could weaken the FMR residual correlation strength. This opens the possibility of discriminating between bursty and non-bursty feedback models based on the strength and persistence of the FMR - especially at high redshift.

  6. Heavy metals adsorption on rolling mill scale; Adsorcion de metales pesados sobre cascarill de laminacion

    Energy Technology Data Exchange (ETDEWEB)

    Lopez, F. A.; Martin, M. I.; Perez, C.; Lopez-Delgado, A.; Alguacil, E. J.

    2003-07-01

    A great quantity of industries are responsible for contaminating the environment with the heavy metals which are containing in their wastewaters. The recovery of these metals is both from an environmental and economical points of view of the upmost interest. A study is made of the use of mill scale-originating in the hot rolling of steel-as an adsorbent for the removal of heavy metals from liquid effluents. The adsorption of Zn''2+, Cd''2+ y Pb''2+ on the rolling mill scale was investigated by determination of adsorption isotherms. The effect of time, equilibrium temperature and concentration of metal solution on mill scale adsorption efficiency was evaluated. The adsorption process was analysed using the theories of Langmuir and Freundlich. Desorption process of metals from loaded mill scales was also studied using several doser bent at different experimental conditions. It has been proved that the mill scale is an effective adsorbent for the cations studies in aqueous solutions within the range of the working concentrations. (Author) 32 refs.

  7. The prospects of transition metal dichalcogenides for ultimately scaled CMOS

    Science.gov (United States)

    Thiele, S.; Kinberger, W.; Granzner, R.; Fiori, G.; Schwierz, F.

    2018-05-01

    MOSFET gate length scaling has been a main source of progress in digital electronics for decades. Today, researchers still spend considerable efforts on reducing the gate length and on developing ultimately scaled MOSFETs, thereby exploring both new device architectures and alternative channel materials beyond Silicon such as two-dimensional TMDs (transition metal dichalcogenide). On the other hand, the envisaged scaling scenario for the next 15 years has undergone a significant change recently. While the 2013 ITRS edition required a continuation of aggressive gate length scaling for at least another 15 years, the 2015 edition of the ITRS suggests a deceleration and eventually a levelling off of gate length scaling and puts more emphasis on alternative options such as pitch scaling to keep Moore's Law alive. In the present paper, future CMOS scaling is discussed in the light of emerging two-dimensional MOSFET channel, in particular two-dimensional TMDs. To this end, the scaling scenarios of the 2013 and 2015 ITRS editions are considered and the scaling potential of TMD MOSFETs is investigated by means of quantum-mechanical device simulations. It is shown that for ultimately scaled MOSFETs as required in the 2013 ITRS, the heavy carrier effective masses of the Mo- and W-based TMDs are beneficial for the suppression of direct source-drain tunneling, while to meet the significantly relaxed scaling targets of the 2016 ITRS heavy-effective-mass channels are not needed.

  8. Characterization of nano structured metallic materials

    International Nuclear Information System (INIS)

    Marin A, M.; Gutierrez W, C.; Cruz C, R.; Angeles C, C.

    1997-01-01

    Nowadays the search of new materials with specific optical properties has carried out to realize a series of experiments through the polymer synthesis [(C 3 N 3 ) 2 (NH) 3 ] n doped with gold metallic nanoparticles. The thermal stability of a polymer is due to the presence of tyazine rings contained in the structure. The samples were characterized by High Resolution Transmission Electron Microscopy, X-ray diffraction by the Powder method, Ft-infrared and its thermal properties by Differential Scanning Calorimetry (DSC) and Thermogravimetry (TGA). One of the purposes of this work is to obtain nano structured materials over a polymeric matrix. (Author)

  9. Nuclear Reactions in Micro/Nano-Scale Metal Particles

    International Nuclear Information System (INIS)

    Kim, Y. E.

    2013-01-01

    Low-energy nuclear reactions in micro/nano-scale metal particles are described based on the theory of Bose-Einstein condensation nuclear fusion (BECNF). The BECNF theory is based on a single basic assumption capable of explaining the observed LENR phenomena; deuterons in metals undergo Bose-Einstein condensation. The BECNF theory is also a quantitative predictive physical theory. Experimental tests of the basic assumption and theoretical predictions are proposed. Potential application to energy generation by ignition at low temperatures is described. Generalized theory of BECNF is used to carry out theoretical analyses of recently reported experimental results for hydrogen-nickel system. (author)

  10. Nuclear Reactions in Micro/Nano-Scale Metal Particles

    Science.gov (United States)

    Kim, Y. E.

    2013-03-01

    Low-energy nuclear reactions in micro/nano-scale metal particles are described based on the theory of Bose-Einstein condensation nuclear fusion (BECNF). The BECNF theory is based on a single basic assumption capable of explaining the observed LENR phenomena; deuterons in metals undergo Bose-Einstein condensation. The BECNF theory is also a quantitative predictive physical theory. Experimental tests of the basic assumption and theoretical predictions are proposed. Potential application to energy generation by ignition at low temperatures is described. Generalized theory of BECNF is used to carry out theoretical analyses of recently reported experimental results for hydrogen-nickel system.

  11. Comparison of void strengthening in fcc and bcc metals: Large-scale atomic-level modelling

    International Nuclear Information System (INIS)

    Osetsky, Yu.N.; Bacon, D.J.

    2005-01-01

    Strengthening due to voids can be a significant radiation effect in metals. Treatment of this by elasticity theory of dislocations is difficult when atomic structure of the obstacle and dislocation is influential. In this paper, we report results of large-scale atomic-level modelling of edge dislocation-void interaction in fcc (copper) and bcc (iron) metals. Voids of up to 5 nm diameter were studied over the temperature range from 0 to 600 K. We demonstrate that atomistic modelling is able to reveal important effects, which are beyond the continuum approach. Some arise from features of the dislocation core and crystal structure, others involve dislocation climb and temperature effects

  12. 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

  13. An ultra-thin waveguide twist constructed using fish-scale metallic wires

    OpenAIRE

    Han, Jin; Li, Hongqiang; Fan, Yuancheng; Wei, Zeyong; Wu, Chao; Cao, Yang; Yu, Xing; Li, Fang; Wang, Zhanshan

    2011-01-01

    This study theoretically and experimentally investigates the transmission properties of a metamaterial slab comprised of two layers of metallic fish-scale structure arrays and a sandwiched dielectric layer. Calculations show that the asymmetric transmission can be tuned by varying the slab thickness, due to evanescent interlayer coupling. The spatial evolution of the local field inside the structure indicates that the slab functions as a perfect polarization transformer at certain frequencies...

  14. Integrated simulation of continuous-scale and discrete-scale radiative transfer in metal foams

    Science.gov (United States)

    Xia, Xin-Lin; Li, Yang; Sun, Chuang; Ai, Qing; Tan, He-Ping

    2018-06-01

    A novel integrated simulation of radiative transfer in metal foams is presented. It integrates the continuous-scale simulation with the direct discrete-scale simulation in a single computational domain. It relies on the coupling of the real discrete-scale foam geometry with the equivalent continuous-scale medium through a specially defined scale-coupled zone. This zone holds continuous but nonhomogeneous volumetric radiative properties. The scale-coupled approach is compared to the traditional continuous-scale approach using volumetric radiative properties in the equivalent participating medium and to the direct discrete-scale approach employing the real 3D foam geometry obtained by computed tomography. All the analyses are based on geometrical optics. The Monte Carlo ray-tracing procedure is used for computations of the absorbed radiative fluxes and the apparent radiative behaviors of metal foams. The results obtained by the three approaches are in tenable agreement. The scale-coupled approach is fully validated in calculating the apparent radiative behaviors of metal foams composed of very absorbing to very reflective struts and that composed of very rough to very smooth struts. This new approach leads to a reduction in computational time by approximately one order of magnitude compared to the direct discrete-scale approach. Meanwhile, it can offer information on the local geometry-dependent feature and at the same time the equivalent feature in an integrated simulation. This new approach is promising to combine the advantages of the continuous-scale approach (rapid calculations) and direct discrete-scale approach (accurate prediction of local radiative quantities).

  15. Underwater laser cutting of metallic structures

    International Nuclear Information System (INIS)

    Alfille, J.P.; Schildknecht, J.; Ramaswami, V.S.

    1993-01-01

    In the frame of an european contract, the feasibility of the underwater cutting with a CO 2 laser power is studied. The aim of this work is the dismantling metallic structures of reactors pools. The paper analyzes the general concept of the experimental device, the underwater cutting head, the experimenting vessel, examples of cuttings in dismantling situation with a 500 W CO 2 laser, and examples of cuttings with a 5 kW CO 2 laser. (author). 2 refs., 9 figs., 2 tabs

  16. Linking structure to fragility in bulk metallic glass-forming liquids

    International Nuclear Information System (INIS)

    Wei, Shuai; Stolpe, Moritz; Gross, Oliver; Gallino, Isabella; Hembree, William; Busch, Ralf; Evenson, Zach; Bednarcik, Jozef; Kruzic, Jamie J.

    2015-01-01

    Using in-situ synchrotron X-ray scattering, we show that the structural evolution of various bulk metallic glass-forming liquids can be quantitatively connected to their viscosity behavior in the supercooled liquid near T g . The structural signature of fragility is identified as the temperature dependence of local dilatation on distinct key atomic length scales. A more fragile behavior results from a more pronounced thermally induced dilatation of the structure on a length scale of about 3 to 4 atomic diameters, coupled with shallower temperature dependence of structural changes in the nearest neighbor environment. These findings shed light on the structural origin of viscous slowdown during undercooling of bulk metallic glass-forming liquids and demonstrate the promise of predicting the properties of bulk metallic glasses from the atomic scale structure

  17. Linking structure to fragility in bulk metallic glass-forming liquids

    Energy Technology Data Exchange (ETDEWEB)

    Wei, Shuai, E-mail: shuai.wei@asu.edu, E-mail: m.stolpe@mx.uni-saarland.de [Department of Materials Science and Engineering, Saarland University, Campus C63, 66123 Saarbrücken (Germany); Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287 (United States); Stolpe, Moritz, E-mail: shuai.wei@asu.edu, E-mail: m.stolpe@mx.uni-saarland.de; Gross, Oliver; Gallino, Isabella; Hembree, William; Busch, Ralf [Department of Materials Science and Engineering, Saarland University, Campus C63, 66123 Saarbrücken (Germany); Evenson, Zach [Department of Materials Science and Engineering, Saarland University, Campus C63, 66123 Saarbrücken (Germany); Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt (DLR), 51170 Köln (Germany); Bednarcik, Jozef [Deutsches Elektronen-Synchrotron DESY, Notkestrasse 85, D-22603 Hamburg (Germany); Kruzic, Jamie J. [Material Science, School of Mechanical, Industrial, and Manufacturing Engineering, Oregon State University, Corvallis, Oregon 97331 (United States)

    2015-05-04

    Using in-situ synchrotron X-ray scattering, we show that the structural evolution of various bulk metallic glass-forming liquids can be quantitatively connected to their viscosity behavior in the supercooled liquid near T{sub g}. The structural signature of fragility is identified as the temperature dependence of local dilatation on distinct key atomic length scales. A more fragile behavior results from a more pronounced thermally induced dilatation of the structure on a length scale of about 3 to 4 atomic diameters, coupled with shallower temperature dependence of structural changes in the nearest neighbor environment. These findings shed light on the structural origin of viscous slowdown during undercooling of bulk metallic glass-forming liquids and demonstrate the promise of predicting the properties of bulk metallic glasses from the atomic scale structure.

  18. Stability of bulk metallic glass structure

    Energy Technology Data Exchange (ETDEWEB)

    Jain, H.; Williams, D.B.

    2003-06-18

    The fundamental origins of the stability of the (Pd-Ni){sub 80}P{sub 20} bulk metallic glasses (BMGs), a prototype for a whole class of BMG formers, were explored. While much of the properties of their BMGs have been characterized, their glass-stability have not been explained in terms of the atomic and electronic structure. The local structure around all three constituent atoms was obtained, in a complementary way, using extended X-ray absorption fine structure (EXAFS), to probe the nearest neighbor environment of the metals, and extended energy loss fine structure (EXELFS), to investigate the environment around P. The occupied electronic structure was investigated using X-ray photoelectron spectroscopy (XPS). The (Pd-Ni){sub 80}P{sub 20} BMGs receive their stability from cumulative, and interrelated, effects of both atomic and electronic origin. The stability of the (Pd-Ni){sub 80}P{sub 20} BMGs can be explained in terms of the stability of Pd{sub 60}Ni{sub 20}P{sub 20} and Pd{sub 30}Ni{sub 50}P{sub 20}, glasses at the end of BMG formation. The atomic structure in these alloys is very similar to those of the binary phosphide crystals near x=0 and x=80, which are trigonal prisms of Pd or Ni atoms surrounding P atoms. Such structures are known to exist in dense, randomly-packed systems. The structure of the best glass former in this series, Pd{sub 40}Ni{sub 40}P{sub 20} is further described by a weighted average of those of Pd{sub 30}Ni{sub 50}P{sub 20} and Pd{sub 60}Ni{sub 20}P{sub 20}. Bonding states present only in the ternary alloys were found and point to a further stabilization of the system through a negative heat of mixing between Pd and Ni atoms. The Nagel and Tauc criterion, correlating a decrease in the density of states at the Fermi level with an increase in the glass stability, was consistent with greater stability of the Pd{sub x}Ni{sub (80-x)}P{sub 20} glasses with respect to the binary alloys of P. A valence electron concentration of 1.8 e/a, which

  19. Universal Scaling Relations in Scale-Free Structure Formation

    Science.gov (United States)

    Guszejnov, Dávid; Hopkins, Philip F.; Grudić, Michael Y.

    2018-04-01

    A large number of astronomical phenomena exhibit remarkably similar scaling relations. The most well-known of these is the mass distribution dN/dM∝M-2 which (to first order) describes stars, protostellar cores, clumps, giant molecular clouds, star clusters and even dark matter halos. In this paper we propose that this ubiquity is not a coincidence and that it is the generic result of scale-free structure formation where the different scales are uncorrelated. We show that all such systems produce a mass function proportional to M-2 and a column density distribution with a power law tail of dA/d lnΣ∝Σ-1. In the case where structure formation is controlled by gravity the two-point correlation becomes ξ2D∝R-1. Furthermore, structures formed by such processes (e.g. young star clusters, DM halos) tend to a ρ∝R-3 density profile. We compare these predictions with observations, analytical fragmentation cascade models, semi-analytical models of gravito-turbulent fragmentation and detailed "full physics" hydrodynamical simulations. We find that these power-laws are good first order descriptions in all cases.

  20. Large-scale structure of the Universe

    International Nuclear Information System (INIS)

    Doroshkevich, A.G.

    1978-01-01

    The problems, discussed at the ''Large-scale Structure of the Universe'' symposium are considered on a popular level. Described are the cell structure of galaxy distribution in the Universe, principles of mathematical galaxy distribution modelling. The images of cell structures, obtained after reprocessing with the computer are given. Discussed are three hypothesis - vortical, entropic, adiabatic, suggesting various processes of galaxy and galaxy clusters origin. A considerable advantage of the adiabatic hypothesis is recognized. The relict radiation, as a method of direct studying the processes taking place in the Universe is considered. The large-scale peculiarities and small-scale fluctuations of the relict radiation temperature enable one to estimate the turbance properties at the pre-galaxy stage. The discussion of problems, pertaining to studying the hot gas, contained in galaxy clusters, the interactions within galaxy clusters and with the inter-galaxy medium, is recognized to be a notable contribution into the development of theoretical and observational cosmology

  1. Properties of structural materials in liquid metal environment

    International Nuclear Information System (INIS)

    Borgstedt, H.U.

    1991-12-01

    The proceedings contain 16 contributions to the following topics: 1. Creep-Rupture Behaviour of Structural Materials in Liquid Metal Environment; 2. Behaviour of Materials in Liquid Metal Environment under Off-Normal Conditions; 3. Fatigue and Creep-Fatigue of Structural Materials in Liquid Metal Environment; and 4. Crack Propagation in Liquid Sodium. (MM)

  2. Structural aspects of elastic deformation of a metallic glass

    International Nuclear Information System (INIS)

    Hufnagel, T. C.; Ott, R. T.; Almer, J.

    2006-01-01

    We report the use of high-energy x-ray scattering to measure strain in a Zr 57 Ti 5 Cu 20 Ni 8 Al 10 bulk metallic glass in situ during uniaxial compression in the elastic regime up to stresses of approximately 60% of the yield stress. The strains extracted in two ways--directly from the normalized scattering data and from the pair correlation functions--are in good agreement with each other for length scales greater than 4 A. The elastic modulus calculated on the basis of this strain is in good agreement with that reported for closely related amorphous alloys based on macroscopic measurements. The strain measured for atoms in the nearest-neighbor shell, however, is smaller than that for more distant shells, and the effective elastic modulus calculated from the strain on this scale is therefore larger, comparable to crystalline alloys of similar composition. These observations are in agreement with previously proposed models in which the nominally elastic deformation of a metallic glass has a significant anelastic component due to atomic rearrangements in topologically unstable regions of the structure. We also observe that the distribution of the atomic-level stresses in the glass becomes more uniform during loading. This implies that the stiffness of metallic glasses may have an entropic contribution, analogous to the entropic contribution in rubber elasticity

  3. Biomedical application of hierarchically built structures based on metal oxides

    Science.gov (United States)

    Korovin, M. S.; Fomenko, A. N.

    2017-12-01

    Nowadays, the use of hierarchically built structures in biology and medicine arouses much interest. The aim of this work is to review and summarize the available literature data about hierarchically organized structures in biomedical application. Nanoparticles can serve as an example of such structures. Medicine holds a special place among various application methods of similar systems. Special attention is paid to inorganic nanoparticles based on different metal oxides and hydroxides, such as iron, zinc, copper, and aluminum. Our investigations show that low-dimensional nanostructures based on aluminum oxides and hydroxides have an inhibitory effect on tumor cells and possess an antimicrobial activity. At the same time, it is obvious that the large-scale use of nanoparticles by humans needs to thoroughly study their properties. Special attention should be paid to the study of nanoparticle interaction with living biological objects. The numerous data show that there is no clear understanding of interaction mechanisms between nanoparticles and various cell types.

  4. The origin of large scale cosmic structure

    International Nuclear Information System (INIS)

    Jones, B.J.T.; Palmer, P.L.

    1985-01-01

    The paper concerns the origin of large scale cosmic structure. The evolution of density perturbations, the nonlinear regime (Zel'dovich's solution and others), the Gott and Rees clustering hierarchy, the spectrum of condensations, and biassed galaxy formation, are all discussed. (UK)

  5. Inflation, large scale structure and particle physics

    Indian Academy of Sciences (India)

    Logo of the Indian Academy of Sciences ... Hybrid inflation; Higgs scalar field; structure formation; curvation. ... We then discuss a particle physics model of supersymmetric hybrid inflation at the intermediate scale in which ... May 2018. Home · Volumes & Issues · Special Issues · Forthcoming Articles · Search · Editorial Board ...

  6. Small scale structure formation in chameleon cosmology

    International Nuclear Information System (INIS)

    Brax, Ph.; Bruck, C. van de; Davis, A.C.; Green, A.M.

    2006-01-01

    Chameleon fields are scalar fields whose mass depends on the ambient matter density. We investigate the effects of these fields on the growth of density perturbations on sub-galactic scales and the formation of the first dark matter halos. Density perturbations on comoving scales R<1 pc go non-linear and collapse to form structure much earlier than in standard ΛCDM cosmology. The resulting mini-halos are hence more dense and resilient to disruption. We therefore expect (provided that the density perturbations on these scales have not been erased by damping processes) that the dark matter distribution on small scales would be more clumpy in chameleon cosmology than in the ΛCDM model

  7. Mirror dark matter and large scale structure

    International Nuclear Information System (INIS)

    Ignatiev, A.Yu.; Volkas, R.R.

    2003-01-01

    Mirror matter is a dark matter candidate. In this paper, we reexamine the linear regime of density perturbation growth in a universe containing mirror dark matter. Taking adiabatic scale-invariant perturbations as the input, we confirm that the resulting processed power spectrum is richer than for the more familiar cases of cold, warm and hot dark matter. The new features include a maximum at a certain scale λ max , collisional damping below a smaller characteristic scale λ S ' , with oscillatory perturbations between the two. These scales are functions of the fundamental parameters of the theory. In particular, they decrease for decreasing x, the ratio of the mirror plasma temperature to that of the ordinary. For x∼0.2, the scale λ max becomes galactic. Mirror dark matter therefore leads to bottom-up large scale structure formation, similar to conventional cold dark matter, for x(less-or-similar sign)0.2. Indeed, the smaller the value of x, the closer mirror dark matter resembles standard cold dark matter during the linear regime. The differences pertain to scales smaller than λ S ' in the linear regime, and generally in the nonlinear regime because mirror dark matter is chemically complex and to some extent dissipative. Lyman-α forest data and the early reionization epoch established by WMAP may hold the key to distinguishing mirror dark matter from WIMP-style cold dark matter

  8. Crystal structure of actinide metals at high compression

    International Nuclear Information System (INIS)

    Fast, L.; Soederlind, P.

    1995-08-01

    The crystal structures of some light actinide metals are studied theoretically as a function of applied pressure. The first principles electronic structure theory is formulated in the framework of density functional theory, with the gradient corrected local density approximation of the exchange-correlation functional. The light actinide metals are shown to be well described as itinerant (metallic) f-electron metals and generally, they display a crystal structure which have, in agreement with previous theoretical suggestions, increasing degree of symmetry and closed-packing upon compression. The theoretical calculations agree well with available experimental data. At very high compression, the theory predicts closed-packed structures such as the fcc or the hcp structures or the nearly closed-packed bcc structure for the light actinide metals. A simple canonical band picture is presented to explain in which particular closed-packed form these metals will crystallize at ultra-high pressure

  9. 14 CFR 23.571 - Metallic pressurized cabin structures.

    Science.gov (United States)

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Metallic pressurized cabin structures. 23... AIRCRAFT AIRWORTHINESS STANDARDS: NORMAL, UTILITY, ACROBATIC, AND COMMUTER CATEGORY AIRPLANES Structure Fatigue Evaluation § 23.571 Metallic pressurized cabin structures. For normal, utility, and acrobatic...

  10. Puzzles of large scale structure and gravitation

    International Nuclear Information System (INIS)

    Sidharth, B.G.

    2006-01-01

    We consider the puzzle of cosmic voids bounded by two-dimensional structures of galactic clusters as also a puzzle pointed out by Weinberg: How can the mass of a typical elementary particle depend on a cosmic parameter like the Hubble constant? An answer to the first puzzle is proposed in terms of 'Scaled' Quantum Mechanical like behaviour which appears at large scales. The second puzzle can be answered by showing that the gravitational mass of an elementary particle has a Machian character (see Ahmed N. Cantorian small worked, Mach's principle and the universal mass network. Chaos, Solitons and Fractals 2004;21(4))

  11. Metallacyclopentadienes: structural features and coordination in transition metal complexes

    International Nuclear Information System (INIS)

    Dolgushin, Fedor M; Yanovsky, Aleksandr I; Antipin, Mikhail Yu

    2004-01-01

    Results of structural studies of polynuclear transition metal complexes containing the metallacyclopentadiene fragment are overviewed. The structural features of the complexes in relation to the nature of the substituents in the organic moiety of the metallacycles, the nature of the transition metals and their ligand environment are analysed. The main structural characteristics corresponding to different modes of coordination of metallacyclopentadienes to one or two additional metal centres are revealed.

  12. Gas phase structure of transition metal dihydrides

    International Nuclear Information System (INIS)

    Demuynck, J.; Schaefer, H.F. III

    1980-01-01

    ESR and infrared spectroscopic measurements on matrix isolated MnH 2 and CrH 2 have recently suggested that these simple molecules may be bent. This result would be the opposite of that found experimentally for the transition metal dihalides MX 2 , known to be linear. Here the geometrical structure of MnH 2 has been investigated by molecular electronic structure theory. A large contracted Gaussian basis set [Mn(14s11p6p/9s8p3d), H(5s1p/3s1p)] was used in conjunction with self-consistent field and configuration interaction methods. These suggest that the 6 A 1 ground state of MnH 2 is linear. Further studies of the 3 A 1 state (one of several low-lying states) of TiH 2 also favor linearity, although this potential energy surface is extremely flat with respect to bending. Thus it appears probable that most MH 2 molecules, like the related MX 2 family, are linear

  13. 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)

  14. The structure of steady shock waves in porous metals

    Science.gov (United States)

    Czarnota, Christophe; Molinari, Alain; Mercier, Sébastien

    2017-10-01

    The paper aims at developing an understanding of steady shock wave propagation in a ductile metallic material containing voids. Porosity is assumed to be less than 0.3 and voids are not connected (foams are not considered). As the shock wave is traveling in the porous medium, the voids are facing a rapid collapse. During this dynamic compaction process, material particles are subjected to very high acceleration in the vicinity of voids, thus generating acceleration forces at the microscale that influence the overall response of the porous material. Analyzing how stationary shocks are influenced by these micro-inertia effects is the main goal of this work. The focus is essentially on the shock structure, ignoring oscillatory motion of pores prevailing at the tail of the shock wave. Following the constitutive framework developed by Molinari and Ravichandran (2004) for the analysis of steady shock waves in dense metals, an analytical approach of steady state propagation of plastic shocks in porous metals is proposed. The initial void size appears as a characteristic internal length that scales the overall dynamic response, thereby contributing to the structuring of the shock front. This key feature is not captured by standard damage models where the porosity stands for the single damage parameter with no contribution of the void size. The results obtained in this work provide a new insight in the fundamental understanding of shock waves in porous media. In particular, a new scaling law relating the shock width to the initial void radius is obtained when micro-inertia effects are significant.

  15. Geometrical scaling in charm structure function ratios

    International Nuclear Information System (INIS)

    Boroun, G.R.; Rezaei, B.

    2014-01-01

    By using a Laplace-transform technique, we solve the next-to-leading-order master equation for charm production and derive a compact formula for the ratio R c =F L cc ¯ /F 2 cc ¯ , which is useful for extracting the charm structure function from the reduced charm cross section, in particular, at DESY HERA, at small x. Our results show that this ratio is independent of x at small x. In this method of determining the ratios, we apply geometrical scaling in charm production in deep inelastic scattering (DIS). Our analysis shows that the renormalization scales have a sizable impact on the ratio R c at high Q 2 . Our results for the ratio of the charm structure functions are in a good agreement with some phenomenological models

  16. Design of scaled down structural models

    Science.gov (United States)

    Simitses, George J.

    1994-07-01

    In the aircraft industry, full scale and large component testing is a very necessary, time consuming, and expensive process. It is essential to find ways by which this process can be minimized without loss of reliability. One possible alternative is the use of scaled down models in testing and use of the model test results in order to predict the behavior of the larger system, referred to herein as prototype. This viewgraph presentation provides justifications and motivation for the research study, and it describes the necessary conditions (similarity conditions) for two structural systems to be structurally similar with similar behavioral response. Similarity conditions provide the relationship between a scaled down model and its prototype. Thus, scaled down models can be used to predict the behavior of the prototype by extrapolating their experimental data. Since satisfying all similarity conditions simultaneously is in most cases impractical, distorted models with partial similarity can be employed. Establishment of similarity conditions, based on the direct use of the governing equations, is discussed and their use in the design of models is presented. Examples include the use of models for the analysis of cylindrical bending of orthotropic laminated beam plates, of buckling of symmetric laminated rectangular plates subjected to uniform uniaxial compression and shear, applied individually, and of vibrational response of the same rectangular plates. Extensions and future tasks are also described.

  17. Challenges for Large Scale Structure Theory

    CERN Multimedia

    CERN. Geneva

    2018-01-01

    I will describe some of the outstanding questions in Cosmology where answers could be provided by observations of the Large Scale Structure of the Universe at late times.I will discuss some of the theoretical challenges which will have to be overcome to extract this information from the observations. I will describe some of the theoretical tools that might be useful to achieve this goal. 

  18. Bioinspired metal-cell wall-metal sandwich structure on an individual bacterial cell scaffold.

    Science.gov (United States)

    Zhang, Xiaoliang; Yu, Mei; Liu, Jianhua; Li, Songmei

    2012-08-25

    Pd nanoparticles were introduced to individual Bacillus cells and dispersedly anchored on both the inside and outside of the cell walls. The anchored nanoparticles served as "seeds" to drive the formation of double metallic layers forming a metal-cell wall-metal sandwich structure at the single-cell level.

  19. Corrosion Behavior of Brazed Zinc-Coated Structured Sheet Metal

    Directory of Open Access Journals (Sweden)

    A. Nikitin

    2017-01-01

    Full Text Available Arc brazing has, in comparison to arc welding, the advantage of less heat input while joining galvanized sheet metals. The evaporation of zinc is reduced in the areas adjacent to the joint and improved corrosion protection is achieved. In the automotive industry, lightweight design is a key technology against the background of the weight and environment protection. Structured sheet metals have higher stiffness compared to typical automobile sheet metals and therefore they can play an important role in lightweight structures. In the present paper, three arc brazing variants of galvanized structured sheet metals were validated in terms of the corrosion behavior. The standard gas metal arc brazing, the pulsed arc brazing, and the cold metal transfer (CMT® in combination with a pulsed cycle were investigated. In experimental climate change tests, the influence of the brazing processes on the corrosion behavior of galvanized structured sheet metals was investigated. After that, the corrosion behavior of brazed structured and flat sheet metals was compared. Because of the selected lap joint, the valuation of damage between sheet metals was conducted. The pulsed CMT brazing has been derived from the results as the best brazing method for the joining process of galvanized structured sheet metals.

  20. Atomic Resolution Imaging of Nanoscale Structural Ordering in a Complex Metal Oxide Catalyst

    KAUST Repository

    Zhu, Yihan

    2012-08-28

    The determination of the atomic structure of a functional material is crucial to understanding its "structure-to-property" relationship (e.g., the active sites in a catalyst), which is however challenging if the structure possesses complex inhomogeneities. Here, we report an atomic structure study of an important MoVTeO complex metal oxide catalyst that is potentially useful for the industrially relevant propane-based BP/SOHIO process. We combined aberration-corrected scanning transmission electron microscopy with synchrotron powder X-ray crystallography to explore the structure at both nanoscopic and macroscopic scales. At the nanoscopic scale, this material exhibits structural and compositional order within nanosized "domains", while the domains show disordered distribution at the macroscopic scale. We proposed that the intradomain compositional ordering and the interdomain electric dipolar interaction synergistically induce the displacement of Te atoms in the Mo-V-O channels, which determines the geometry of the multifunctional metal oxo-active sites.

  1. Study of structural colour of Hebomoia glaucippe butterfly wing scales

    Science.gov (United States)

    Shur, V. Ya; Kuznetsov, D. K.; Pryakhina, V. I.; Kosobokov, M. S.; Zubarev, I. V.; Boymuradova, S. K.; Volchetskaya, K. V.

    2017-10-01

    Structural colours of Hebomoia glaucippe butterfly wing scales have been studied experimentally using high resolution scanning electron microscopy. Visualization of scales structures and computer simulation allowed distinguishing correlation between nanostructures on the scales and their colour.

  2. Properties of structural materials in liquid metal environment. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Borgstedt, H U [ed.

    1991-12-15

    The International Working Group on Fast Reactors (IWGFR) Specialists Meeting on Properties of Structural Materials in Liquid Metal Environment was held during June 18 to June 20, 1991, at the Nuclear Research Centre (Kernforschungszentrum) in Karlsruhe, Germany. The Specialists Meeting was divided into five technical sessions which addressed topics as follows: Creep-Rupture Behaviour of Structural Materials in Liquid Metal Environment; Behaviour of Materials in Liquid Metal Environments under Off-Normal Conditions;Fatigue and Creep-Fatigue of Structural Materials in Liquid Metal Environment; Crack Propagation in Liquid Sodium; and Conclusions and recommendations. Individual papers have been cataloged separately.

  3. Poly aniline synthesized in pilot scale: structural and morphological characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Mazzeu, Maria Alice Carvalho; Goncalves, Emerson Sarmento, E-mail: aie.mzz@hotmail.com [Instituto Tecnologico de Aeronautica (ITA), Sao Jose dos Campos, SP (Brazil); Gama, Adriana Medeiros [Instituto de Aeronautica e Espaco (IAE), Sao Jose dos Campos, SP (Brazil); Baldan, Mauricio Ribeiro [Instituto Nacional de Pesquisas Espaciais (INPE), Sao Jose dos Campos, SP (Brazil); Faria, Lohana Komorek [Universidade do Vale do Paraiba (UNIVAP), Sao Jose dos Campos, SP (Brazil)

    2016-07-01

    Full text: Among various conducting polymers, poly aniline (PAni) has received wide-spread attention because of its outstanding properties including simple and reversible doping–dedoping chemistry, stable electrical conduction mechanisms, high environmental stability and ease of synthesis [1]. Increasing applications require PAni at industrial scale and optimization of manufacturing processes are essential for this purpose. Since pilot scale influences hydrodynamics of the polymerizations system [2], pilot scale is an important instrument for evaluating amendments in the process. In this work, polyaniline was synthesized on pilot scale, with variation of reaction time for every synthesis, keeping the other parameters unchanged. The PAni salt first obtained was dedoped and the PAni-B (PAni in a base form, nonconductive) obtained was redoped with dodecylbenzenesulfonic acid (DBSA), when PAni-DBSA (PAni in a salt form, conductive) is obtained. The effects of synthesis conditions on the structural and morphological characteristics of PAni-B and PAni-DBSA are investigate by Raman Spectroscopy, XRD (X-ray diffractometer) and SEM (Scanning electron microscopy). Electrical conductivity was determined to redoped samples. Results were analyzed and we compare PAni forms to identifying the doping structure to PAni-DBSA by Raman spectroscopy. It was found too that reaction time can give some influence at conductivity. The XRD result showed differences in crystalline peaks of PAni-B and PAni-DBSA and this difference could be attributed mainly to the redoping process. Whereas the formation of crystals on a pilot scale may change because of effects caused by water flow, speed of polymerization could affect the formation of crystals too. The SEM pictures to PAni-B showed tiny coral reefs with globules structure and PAni-DBSA showed multilayer structure. References: 1 - Fratoddia I. et al. Sensors and Actuators B 220: 534–548 (2015); 2 - Roichman Y et al. Synthetic Metals 98

  4. Joining of metals to structural ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Sistiaga, J M; Salvador, J M

    1988-01-01

    A wide review is made on metal-ceramics joining by brazing, mainly by active metal containing brazing filler alloys and solid state welding that is diffusion welding and hot isostatic pressure (HIP). Both the basic aspects of the processes and the mechanisms involved are considsered. At last, different joint testing ands evaluation procedures are presented. (Author)

  5. Joining of metals to structural ceramics

    International Nuclear Information System (INIS)

    Sistiaga, J.M.; Salvador, J.M.

    1988-01-01

    A wide review is made on metal-ceramics joining by brazing, mainly by active metal containing brazing filler alloys and solid state welding that is diffusion welding and hot isostatic pressure (HIP). Both the basic aspects of the processes and the mechanisms involved are considered. At last, different joint testing and evaluation procedures are presented. (Author)

  6. Distinct atomic structures of the Ni-Nb metallic glasses formed by ion beam mixing

    International Nuclear Information System (INIS)

    Tai, K. P.; Wang, L. T.; Liu, B. X.

    2007-01-01

    Four Ni-Nb metallic glasses are obtained by ion beam mixing and their compositions are measured to be Ni 77 Nb 23 , Ni 55 Nb 45 , Ni 31 Nb 69 , and Ni 15 Nb 85 , respectively, suggesting that a composition range of 23-85 at. % of Nb is favored for metallic glass formation in the Ni-Nb system. Interestingly, diffraction analyses show that the structure of the Nb-based Ni 31 Nb 69 metallic glass is distinctly different from the structure of the Nb-based Ni 15 Nb 85 metallic glass, as the respective amorphous halos are located at 2θ≅38 and 39 deg. To explore an atomic scale description of the Ni-Nb metallic glasses, an n-body Ni-Nb potential is first constructed with an aid of the ab initio calculations and then applied to perform the molecular dynamics simulation. Simulation results determine not only the intrinsic glass forming range of the Ni-Nb system to be within 20-85 at. % of Nb, but also the exact atomic positions in the Ni-Nb metallic glasses. Through a statistical analysis of the determined atomic positions, a new dominant local packing unit is found in the Ni 15 Nb 85 metallic glass, i.e., an icositetrahedron with a coordination number to be around 14, while in Ni 31 Nb 69 metallic glasses, the dominant local packing unit is an icosahedron with a coordination number to be around 12, which has been reported for the other metallic glasses. In fact, with increasing the irradiation dose, the Ni 31 Nb 69 metallic glasses are formed through an intermediate state of face-centered-cubic-solid solution, whereas the Ni 15 Nb 85 metallic glass is through an intermediate state of body-centered-cubic-solid solution, suggesting that the structures of the constituent metals play an important role in governing the structural characteristics of the resultant metallic glasses

  7. A unified picture of the crystal structures of metals

    Science.gov (United States)

    Söderlind, Per; Eriksson, Olle; Johansson, Börje; Wills, J. M.; Boring, A. M.

    1995-04-01

    THE crystal structures of the light actinides have intrigued physicists and chemists for several decades1. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic and hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry-tetragonal, orthorhombic and monoclinic. To understand these differences, we have performed total-energy calculations, as a function of volume, for both high-and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all of these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression.

  8. A unified picture of the crystal structures of metals

    International Nuclear Information System (INIS)

    Soederlind, P.; Eriksson, O.; Johansson, B.; Wills, J.M.; Boring, A.M.

    1995-01-01

    The crystal structures of the light actinides have intrigued physicists and chemists for several decades. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry -tetragonal, orthorhombic and monoclinic. To understand these differences, we have have performed total-energy calculations, as a function of volume, for both high- and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression. (author)

  9. Neutrinos and large-scale structure

    International Nuclear Information System (INIS)

    Eisenstein, Daniel J.

    2015-01-01

    I review the use of cosmological large-scale structure to measure properties of neutrinos and other relic populations of light relativistic particles. With experiments to measure the anisotropies of the cosmic microwave anisotropies and the clustering of matter at low redshift, we now have securely measured a relativistic background with density appropriate to the cosmic neutrino background. Our limits on the mass of the neutrino continue to shrink. Experiments coming in the next decade will greatly improve the available precision on searches for the energy density of novel relativistic backgrounds and the mass of neutrinos

  10. Neutrinos and large-scale structure

    Energy Technology Data Exchange (ETDEWEB)

    Eisenstein, Daniel J. [Daniel J. Eisenstein, Harvard-Smithsonian Center for Astrophysics, 60 Garden St., MS #20, Cambridge, MA 02138 (United States)

    2015-07-15

    I review the use of cosmological large-scale structure to measure properties of neutrinos and other relic populations of light relativistic particles. With experiments to measure the anisotropies of the cosmic microwave anisotropies and the clustering of matter at low redshift, we now have securely measured a relativistic background with density appropriate to the cosmic neutrino background. Our limits on the mass of the neutrino continue to shrink. Experiments coming in the next decade will greatly improve the available precision on searches for the energy density of novel relativistic backgrounds and the mass of neutrinos.

  11. Combined use of polymer composites and metals in engineering structures

    International Nuclear Information System (INIS)

    Hoa, S.V.

    2002-01-01

    Polymer matrix composites have found many applications in the construction of light weight structures such as those in aircrafts, automobiles, sports equipment etc. This is because these materials possess high stiffness, high strength and low densities. In applications of polymer matrix composites in the light weight structures, the polymer composites are however, not used by themselves alone in most cases. Usually the polymer composites are used in conjunction with some metal components. The metal components are used either to provide means for joining the composite components or the composites are used to repair the cracked metal structures. The synergistic effect of both metals and composites can provide excellent performance with good economy. This paper presents a few applications where polymer composites are used in conjunction with metals in engineering structures. (author)

  12. Impact of spatial dimension on structural ordering in metallic glass.

    Science.gov (United States)

    Hu, Yuan-Chao; Tanaka, Hajime; Wang, Wei-Hua

    2017-08-01

    Metallic glasses (MGs) have so far attracted considerable attention for their applications as bulk materials. However, new physics and applications often emerge by dimensional reduction from three dimensions (3D) to two dimensions (2D). Here, we study, by molecular dynamics simulations, how the liquid-to-glass transition of a binary Cu_{50}Zr_{50} MG is affected by spatial dimensionality. We find clear evidence that crystal-like structural ordering controls both dynamic heterogeneity and slow dynamics, and thus plays a crucial role in the formation of the 2DMG. Although the 2DMG reproduces the dynamical behaviors of its 3D counterpart by considering Mermin-Wagner-type fluctuations specific to 2D, this atomic-scale structural mechanism is essentially different from that for the 3DMG in which icosahedral clusters incompatible with crystallographic symmetry play a key role in glassy behaviors. Our finding provides a structural mechanism for the formation of 2DMGs, which cannot be inferred from the knowledge of 3DMGs. The results suggest a structural basis for the glass transition in 2DMG and provide possible explanations for some previous experimental observations in ultrathin film MGs.

  13. RESOLVING IONIZATION AND METALLICITY ON PARSEC SCALES ACROSS MRK 71 WITH HST-WFC3

    Energy Technology Data Exchange (ETDEWEB)

    James, Bethan L.; Auger, Matthew [Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge, CB3 0HA (United Kingdom); Aloisi, Alessandra [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Calzetti, Daniela [Department of Astronomy, University of Massachusetts, Amherst, MA 01003 (United States); Kewley, Lisa, E-mail: bjames@ast.cam.ac.uk [RSAA, Australian National University, Cotter Road, Weston Creek, ACT 2611 (Australia)

    2016-01-01

    Blue compact dwarf (BCD) galaxies in the nearby universe provide a means for studying feedback mechanisms and star formation processes in low-metallicity environments in great detail. Owing to their vicinity, these local analogs to primordial young galaxies are well suited for high-resolution studies that are unfeasible for high-redshift galaxies. Here we present Hubble Space Telescope Wide Field Camera 3 observations of one such BCD, Mrk 71, one of the most powerful local starbursts known, in the light of [O ii], He ii, Hβ, [O iii], Hα, and [S ii]. At D ≃ 3.44 Mpc, this extensive suite of emission-line images enables us to explore the chemical and physical conditions of Mrk 71 on ∼2 pc scales. We use emission-line diagnostics to distinguish ionization mechanisms on a pixel-by-pixel basis and show that despite the previously reported hypersonic gas and superbubble blowout, the gas in Mrk 71 is photoionized, with no sign of shock-excited emission. He ii emission line images are used to identify up to six Wolf-Rayet stars, three of which lie on the edge of a blowout region. Using strong-line metallicity diagnostics, we present the first “metallicity image” of a galaxy, revealing chemical inhomogeneity on scales of <50 pc. We additionally demonstrate that while chemical structure can be lost at large scales, metallicity diagnostics can break down on spatial scales smaller than an H ii region. This study highlights not only the benefits of high-resolution spatially resolved observations in assessing the effects of feedback mechanisms but also the potential limitations when employing emission-line diagnostics; these results are particularly relevant as we enter the era of extremely large telescopes.

  14. Synthesis, fabrication, and spectroscopy of nano-scale photonic noble metal materials

    Science.gov (United States)

    Egusa, Shunji

    Nanometer is an interesting scale for physicists, chemists, and materials scientists, in a sense that it lies between the macroscopic and the atomic scales. In this regime, materials exhibit distinct physical and chemical properties that are clearly different from those of atoms or macroscopic bulk. This thesis is concerned about both physics and chemistry of noble metal nano-structures. Novel chemical syntheses and physical fabrications of various noble metal nano-structures, and the development of spectroscopic techniques for nano-structures are presented. Scanning microscopy/spectroscopy techniques inherently perturbs the true optical responses of the nano-structures. However, by using scanning tunneling microscope (STM) tip as the nanometer-confined excitation source of surface plasmons in the samples, and subsequently collecting the signals in the Fourier space, it is shown that the tip-perturbed part of the signals can be deconvoluted. As a result, the collected signal in this approach is the pure response of the sample. Coherent light is employed to study the optical response of nano-structures, in order to avoid complication from tip-perturbation as discussed above. White-light super-continuum excites the nano-structure, the monolayer of Au nanoparticles self-assembled on silicon nitride membrane substrates. The coherent excitation reveals asymmetric surface plasmon resonance in the nano-structures. One of the most important issues in nano-scale science is to gain control over the shape, size, and assembly of nanoparticles. A novel method is developed to chemically synthesize ligand-passivated atomic noble metal clusters in solution phase. The method, named thermal decomposition method, enables facile yet robust synthesis of fluorescent atomic clusters. Thus synthesized atomic clusters are very stable, and show behaviors of quantum dots. A novel and versatile approach for creation of nanoparticle arrays is developed. This method is different from the

  15. Seeing Scale: Richard Dunn’s Structuralism

    Directory of Open Access Journals (Sweden)

    Keith Broadfoot

    2012-11-01

    Full Text Available Writing on the occasion of a retrospective of Richard Dunn’s work, Terence Maloon argued that ‘structuralism had an important bearing on virtually all of Richard Dunn’s mature works’, with ‘his modular, “crossed” formats’ being the most obvious manifestation of this. In this article I wish to reconsider this relation, withdrawing from a broad consideration of the framework of structuralism to focus on some of the quite particular ideas that Lacan proposed in response to structuralism. Beginning from a pivotal painting in the 1960s that developed out of Dunn’s experience of viewing the work of Barnett Newman, I wish to suggest a relation between the ongoing exploration of the thematic of scale in Dunn’s work and the idea of the symbolic that Lacan derives from structuralist thought. This relation, I argue, opens up a different way of understanding the art historical transition from Minimalism to Conceptual art.

  16. Single site porphyrine-like structures advantages over metals for selective electrochemical CO2 reduction

    DEFF Research Database (Denmark)

    Bagger, Alexander; Ju, Wen; Varela, Ana Sofia

    2017-01-01

    Currently, no catalysts are completely selective for the electrochemical CO2 Reduction Reaction (CO2RR). Based on trends in density functional theory calculations of reaction intermediates we find that the single metal site in a porphyrine-like structure has a simple advantage of limiting...... the competing Hydrogen Evolution Reaction (HER). The single metal site in a porphyrine-like structure requires an ontop site binding of hydrogen, compared to the hollow site binding of hydrogen on a metal catalyst surface. The difference in binding site structure gives a fundamental energy-shift in the scaling...... relation of ∼0.3eV between the COOH* vs. H* intermediate (CO2RR vs. HER). As a result, porphyrine-like catalysts have the advantage over metal catalyst of suppressing HER and enhancing CO2RR selectivity....

  17. Metal nanoparticle direct inkjet printing for low-temperature 3D micro metal structure fabrication

    International Nuclear Information System (INIS)

    Ko, Seung Hwan; Nam, Koo Hyun; Chung, Jaewon; Hotz, Nico; Grigoropoulos, Costas P

    2010-01-01

    Inkjet printing of functional materials is a key technology toward ultra-low-cost, large-area electronics. We demonstrate low-temperature 3D micro metal structure fabrication by direct inkjet printing of metal nanoparticles (NPs) as a versatile, direct 3D metal structuring approach representing an alternative to conventional vacuum deposition and photolithographic methods. Metal NP ink was inkjet-printed to exploit the large melting temperature drop of the nanomaterial and the ease of the NP ink formulation. Parametric studies on the basic conditions for stable 3D inkjet printing of NP ink were carried out. Furthermore, diverse 3D metal microstructures, including micro metal pillar arrays, helices, zigzag and micro bridges were demonstrated and electrical characterization was performed. Since the process requires low temperature, it carries substantial potential for fabrication of electronics on a plastic substrate

  18. Grid sensitivity capability for large scale structures

    Science.gov (United States)

    Nagendra, Gopal K.; Wallerstein, David V.

    1989-01-01

    The considerations and the resultant approach used to implement design sensitivity capability for grids into a large scale, general purpose finite element system (MSC/NASTRAN) are presented. The design variables are grid perturbations with a rather general linking capability. Moreover, shape and sizing variables may be linked together. The design is general enough to facilitate geometric modeling techniques for generating design variable linking schemes in an easy and straightforward manner. Test cases have been run and validated by comparison with the overall finite difference method. The linking of a design sensitivity capability for shape variables in MSC/NASTRAN with an optimizer would give designers a powerful, automated tool to carry out practical optimization design of real life, complicated structures.

  19. 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

  20. Caltech Center for Structural and Amorphous Metals

    Science.gov (United States)

    2005-05-10

    Flores, D. Suh, R. Howell, P. Asoka -Kumar, P.A. Sterne, and R. H. Dauskardt, "Flow and Fracture of Bulk Metallic Glass Alloys and Their Composites...Behavior of Zr-Ti-Cu-Ni-Be Bulk Metallic Glass Alloys," Materials Transactions, JIM, 42 [4], 638-641, 2001. K. M. Flores, D. Suh, P. Asoka -Kumar, P.A...Materials Research, 17[5], 1153-1161, 2002. D. Suh, P. Asoka -Kumar and R. H. Dauskardt, "The Effects of Hydrogen on Viscoelastic Relaxation in Zr-Ti-Ni-Cu

  1. Thin films of metal oxides on metal single crystals: Structure and growth by scanning tunneling microscopy

    International Nuclear Information System (INIS)

    Galloway, H.C.

    1995-12-01

    Detailed studies of the growth and structure of thin films of metal oxides grown on metal single crystal surfaces using Scanning Tunneling Microscopy (STM) are presented. The oxide overlayer systems studied are iron oxide and titanium oxide on the Pt(III) surface. The complexity of the metal oxides and large lattice mismatches often lead to surface structures with large unit cells. These are particularly suited to a local real space technique such as scanning tunneling microscopy. In particular, the symmetry that is directly observed with the STM elucidates the relationship of the oxide overlayers to the substrate as well as distinguishing, the structures of different oxides

  2. Dipolar modulation of Large-Scale Structure

    Science.gov (United States)

    Yoon, Mijin

    For the last two decades, we have seen a drastic development of modern cosmology based on various observations such as the cosmic microwave background (CMB), type Ia supernovae, and baryonic acoustic oscillations (BAO). These observational evidences have led us to a great deal of consensus on the cosmological model so-called LambdaCDM and tight constraints on cosmological parameters consisting the model. On the other hand, the advancement in cosmology relies on the cosmological principle: the universe is isotropic and homogeneous on large scales. Testing these fundamental assumptions is crucial and will soon become possible given the planned observations ahead. Dipolar modulation is the largest angular anisotropy of the sky, which is quantified by its direction and amplitude. We measured a huge dipolar modulation in CMB, which mainly originated from our solar system's motion relative to CMB rest frame. However, we have not yet acquired consistent measurements of dipolar modulations in large-scale structure (LSS), as they require large sky coverage and a number of well-identified objects. In this thesis, we explore measurement of dipolar modulation in number counts of LSS objects as a test of statistical isotropy. This thesis is based on two papers that were published in peer-reviewed journals. In Chapter 2 [Yoon et al., 2014], we measured a dipolar modulation in number counts of WISE matched with 2MASS sources. In Chapter 3 [Yoon & Huterer, 2015], we investigated requirements for detection of kinematic dipole in future surveys.

  3. Fire structures pine serotiny at different scales.

    Science.gov (United States)

    Hernández-Serrano, Ana; Verdú, Miguel; González-Martínez, Santiago C; Pausas, Juli G

    2013-12-01

    Serotiny (delayed seed release with the consequent accumulation of a canopy seedbank) confers fitness benefits in environments with crown-fire regimes. Thus, we predicted that serotiny level should be higher in populations recurrently subjected to crown-fires than in populations where crown-fires are rare. In addition, under a high frequency of fires, space and resources are recurrently available, permitting recruitment around each mother to follow the seed rain shadow. Thus, we also predicted spatial aggregation of serotiny within populations. We compared serotiny, considering both the proportion and the age of serotinous cones, in populations living in contrasting fire regimes for two iconic Mediterranean pine species (Pinus halepensis, P. pinaster). We framed our results by quantitatively comparing the strength of the fire-serotiny relationship with previous studies worldwide. For the two species, populations living under high crown-fire recurrence regimes had a higher serotiny level than those populations where the recurrence of crown-fires was low. For P. halepensis (the species with higher serotiny), populations in high fire recurrence regimes had higher fine-scale spatial aggregation of serotiny than those inhabiting low fire recurrence systems. The strength of the observed fire-serotiny relationship in P. halepensis is among the highest in published literature. Fire regime shapes serotiny level among populations, and in populations with high serotiny, recurrent fires maintain a significant spatial structure for this trait. Consequently, fire has long-term evolutionary implications at different scales, emphasizing its prominent role in shaping the ecology of pines.

  4. Responses in large-scale structure

    Energy Technology Data Exchange (ETDEWEB)

    Barreira, Alexandre; Schmidt, Fabian, E-mail: barreira@MPA-Garching.MPG.DE, E-mail: fabians@MPA-Garching.MPG.DE [Max-Planck-Institut für Astrophysik, Karl-Schwarzschild-Str. 1, 85741 Garching (Germany)

    2017-06-01

    We introduce a rigorous definition of general power-spectrum responses as resummed vertices with two hard and n soft momenta in cosmological perturbation theory. These responses measure the impact of long-wavelength perturbations on the local small-scale power spectrum. The kinematic structure of the responses (i.e., their angular dependence) can be decomposed unambiguously through a ''bias'' expansion of the local power spectrum, with a fixed number of physical response coefficients , which are only a function of the hard wavenumber k . Further, the responses up to n -th order completely describe the ( n +2)-point function in the squeezed limit, i.e. with two hard and n soft modes, which one can use to derive the response coefficients. This generalizes previous results, which relate the angle-averaged squeezed limit to isotropic response coefficients. We derive the complete expression of first- and second-order responses at leading order in perturbation theory, and present extrapolations to nonlinear scales based on simulation measurements of the isotropic response coefficients. As an application, we use these results to predict the non-Gaussian part of the angle-averaged matter power spectrum covariance Cov{sup NG}{sub ℓ=0}( k {sub 1}, k {sub 2}), in the limit where one of the modes, say k {sub 2}, is much smaller than the other. Without any free parameters, our model results are in very good agreement with simulations for k {sub 2} ∼< 0.06 h Mpc{sup −1}, and for any k {sub 1} ∼> 2 k {sub 2}. The well-defined kinematic structure of the power spectrum response also permits a quick evaluation of the angular dependence of the covariance matrix. While we focus on the matter density field, the formalism presented here can be generalized to generic tracers such as galaxies.

  5. Responses in large-scale structure

    Science.gov (United States)

    Barreira, Alexandre; Schmidt, Fabian

    2017-06-01

    We introduce a rigorous definition of general power-spectrum responses as resummed vertices with two hard and n soft momenta in cosmological perturbation theory. These responses measure the impact of long-wavelength perturbations on the local small-scale power spectrum. The kinematic structure of the responses (i.e., their angular dependence) can be decomposed unambiguously through a ``bias'' expansion of the local power spectrum, with a fixed number of physical response coefficients, which are only a function of the hard wavenumber k. Further, the responses up to n-th order completely describe the (n+2)-point function in the squeezed limit, i.e. with two hard and n soft modes, which one can use to derive the response coefficients. This generalizes previous results, which relate the angle-averaged squeezed limit to isotropic response coefficients. We derive the complete expression of first- and second-order responses at leading order in perturbation theory, and present extrapolations to nonlinear scales based on simulation measurements of the isotropic response coefficients. As an application, we use these results to predict the non-Gaussian part of the angle-averaged matter power spectrum covariance CovNGl=0(k1,k2), in the limit where one of the modes, say k2, is much smaller than the other. Without any free parameters, our model results are in very good agreement with simulations for k2 lesssim 0.06 h Mpc-1, and for any k1 gtrsim 2k2. The well-defined kinematic structure of the power spectrum response also permits a quick evaluation of the angular dependence of the covariance matrix. While we focus on the matter density field, the formalism presented here can be generalized to generic tracers such as galaxies.

  6. Fabrication of subwavelength metallic structures by using a metal direct imprinting process

    International Nuclear Information System (INIS)

    Hsieh, C W; Hsiung, H Y; Lu, Y T; Sung, C K; Wang, W H

    2007-01-01

    This work employs a metal direct imprinting process, which possesses the characteristics of simplicity, low-cost and high resolution, for the fabrication of subwavelength structures on a metallic thin film. Herein, the mould featuring periodic line structures is manufactured by using E-beam lithography and followed by a dry etching process; meanwhile, the thin film is fabricated by sputtering Al on a silicon substrate. AFM section analyses are employed to measure imprinting depths of the subwavelength metallic structures and it is found that the uniformity of the imprinting depths is affected by the designed patterns, the material property of thin film and mould deformation. The process temperature and the mould filling that influence the transferred quality are investigated. In addition, TEM is also utilized to examine defects in the subwavelength metallic structures. Finally, good quality subwavelength metallic structures are fabricated under a pressure of 300 MPa for 60 s at room temperature. In this study, we have demonstrated that subwavelength metallic structures with a minimum linewidth of less than 100 nm on the Al thin film are successfully constructed by the metal direct imprinting process

  7. A scale invariant covariance structure on jet space

    DEFF Research Database (Denmark)

    Pedersen, Kim Steenstrup; Loog, Marco; Markussen, Bo

    2005-01-01

    This paper considers scale invariance of statistical image models. We study statistical scale invariance of the covariance structure of jet space under scale space blurring and derive the necessary structure and conditions of the jet covariance matrix in order for it to be scale invariant. As par...

  8. MetalS2: a tool for the structural alignment of minimal functional sites in metal-binding proteins and nucleic acids.

    Science.gov (United States)

    Andreini, Claudia; Cavallaro, Gabriele; Rosato, Antonio; Valasatava, Yana

    2013-11-25

    We developed a new software tool, MetalS(2), for the structural alignment of Minimal Functional Sites (MFSs) in metal-binding biological macromolecules. MFSs are 3D templates that describe the local environment around the metal(s) independently of the larger context of the macromolecular structure. Such local environment has a determinant role in tuning the chemical reactivity of the metal, ultimately contributing to the functional properties of the whole system. On our example data sets, MetalS(2) unveiled structural similarities that other programs for protein structure comparison do not consistently point out and overall identified a larger number of structurally similar MFSs. MetalS(2) supports the comparison of MFSs harboring different metals and/or with different nuclearity and is available both as a stand-alone program and a Web tool ( http://metalweb.cerm.unifi.it/tools/metals2/).

  9. Dissolution of metallic uranium and its alloys. Part 1. Review of analytical and process-scale metallic uranium dissolution

    International Nuclear Information System (INIS)

    Laue, C.A.; Gates-Anderson, D.; Fitch, T.E.

    2004-01-01

    This review focuses on dissolution/reaction systems capable of treating uranium metal waste to remove its pyrophoric properties. The primary emphasis is the review of literature describing analytical and production-scale dissolution methods applied to either uranium metal or uranium alloys. A brief summary of uranium's corrosion behavior is included since the corrosion resistance of metals and alloys affects their dissolution behavior. Based on this review, dissolution systems were recommended for subsequent screening studies designed to identify the best system to treat depleted uranium metal wastes at Lawrence Livermore National Laboratory (LLNL). (author)

  10. Critical masses of bare metal spheres using SCALE/XSDRN

    International Nuclear Information System (INIS)

    Wright, R.Q.; Jordan, W.C.; Westfall, R.M.

    2000-01-01

    minimum critical masses. The minimum critical masses of metal spheres using the SCALE/XSDRN program have been calculated and are given in Sec. II of this paper. Results for reflected spheres are also available. Results for 28 actinides are included in Table 1; only 1 nuclide, 232 Pa (T 1/2 = 1.31 day), has a half-life <40 days

  11. Chemical compatibility of structural materials in alkali metals

    International Nuclear Information System (INIS)

    Natesan, K.; Rink, D.L.; Haglund, R.

    1995-01-01

    The objectives of this task are to (a) evaluate the chemical compatibility of structural alloys such as V-5 wt.%Cr-5 wt.%Ti alloy and Type 316 stainless steel for application in liquid alkali metals such as lithium and sodium-78 wt.% potassium (NaK) at temperatures in the range that are of interest for International Thermonuclear Experimental Reactor (ITER); (b) evaluate the transfer of nonmetallic elements such as oxygen, nitrogen, carbon, and hydrogen between structural materials and liquid metals; and (c) evaluate the effects of such transfers on the mechanical and microstructural characteristics of the materials for long-term service in liquid-metal-environments

  12. Optical fibre sensing in metals by embedment in 3D printed metallic structures

    Science.gov (United States)

    Maier, R. R. J.; Havermann, D.; Schneller, O.; Mathew, J.; Polyzos, D.; MacPherson, W. N.; Hand, D. P.

    2014-05-01

    Additive manufacturing or 3D printing of structural components in metals has potential to revolutionise the manufacturing industry. Embedded sensing in such structures opens a route towards SMART metals, providing added functionality, intelligence and enhanced performance in many components. Such embedded sensors would be capable of operating at extremely high temperatures by utilizing regenerated fibre Bragg gratings and in-fibre Fabry-Perot cavities.

  13. Structural refinement and coarsening in deformed metals

    DEFF Research Database (Denmark)

    Hansen, N.; Huang, X.; Xing, Q.

    2005-01-01

    The microstructural refinement by plastic deformation is analysed in terms of key parameters, the spacing between and the misorientation angle across the boundaries subdividing the structure. Coarsening of such structures by annealing is also characterised. For both deformed and annealed structur...

  14. 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

  15. A Novel 3D Printer to Support Additive Manufacturing of Gradient Metal Alloy Structures, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Gradient metal alloy structures possess multi-functional properties that conventional monolithic metal counterparts do not have. Such structures can potentially...

  16. A Novel 3D Printer to Support Additive Manufacturing of Gradient Metal Alloy Structures, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Gradient metal alloy structures possess multi-functional properties that conventional monolithic metal counterparts do not have. Such structures can potentially...

  17. Charge Injection and Transport in Metal/Polymer Chains/Metal Sandwich Structure

    International Nuclear Information System (INIS)

    Hai-Hong, Li; Dong-Mei, Li; Yuan, Li; Kun, Gao; De-Sheng, Liu; Shi-Jie, Xie

    2008-01-01

    Using the tight-binding Su–Schrieffer–Heeger model and a nonadiabatic dynamic evolution method, we study the dynamic processes of the charge injection and transport in a metal/two coupled conjugated polymer chains/metal structure. It is found that the charge interchain transport is determined by the strength of the electric field and the magnitude of the voltage bias applied on the metal electrode. The stronger electric field and the larger voltage bias are both in favour of the charge interchain transport. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  18. Grain Structure Control of Additively Manufactured Metallic Materials

    Directory of Open Access Journals (Sweden)

    Fuyao Yan

    2017-11-01

    Full Text Available Grain structure control is challenging for metal additive manufacturing (AM. Grain structure optimization requires the control of grain morphology with grain size refinement, which can improve the mechanical properties of additive manufactured components. This work summarizes methods to promote fine equiaxed grains in both the additive manufacturing process and subsequent heat treatment. Influences of temperature gradient, solidification velocity and alloy composition on grain morphology are discussed. Equiaxed solidification is greatly promoted by introducing a high density of heterogeneous nucleation sites via powder rate control in the direct energy deposition (DED technique or powder surface treatment for powder-bed techniques. Grain growth/coarsening during post-processing heat treatment can be restricted by presence of nano-scale oxide particles formed in-situ during AM. Grain refinement of martensitic steels can also be achieved by cyclic austenitizing in post-processing heat treatment. Evidently, new alloy powder design is another sustainable method enhancing the capability of AM for high-performance components with desirable microstructures.

  19. Average and local structure of selected metal deuterides

    Energy Technology Data Exchange (ETDEWEB)

    Soerby, Magnus H.

    2005-07-01

    deuterides at 1 bar D2 and elevated temperatures (373-573 K) is presented in Paper 1. Deuterium atoms occupy chiefly three types of tetrahedral interstitial sites; two coordinated by 4 Zr atoms and one coordinated by 3 Zr and 1 Ni atoms. The site preference is predominantly ruled by sample composition and less by temperature. On the other hand, the spatial deuterium distribution among the preferred sites is strongly temperature dependant as the long-range correlations break down on heating. The sample is fully decomposed into tetragonal ZrD2 and Zr7Ni10 at 873 K. Th2AlD4 was the only metal deuteride with reported D-D separation substantially below 2 Aa (1.79 Aa) prior to the discovery of RENiInD1.33. However, as being the first ternary deuteride ever studied by PND, the original structure solution was based on very low-resolution data. The present reinvestigation (Paper 2) shows that the site preference was correctly determined, but the deuterium atoms are slightly shifted compared to the earlier report, now yielding acceptable interatomic separations. Solely Th4 tetrahedra are occupied in various Th2Al deuterides. Th8Al4D11 (Th2AlD2.75) takes a superstructure with tripled c-axis due to deuterium ordering. Th2AlD2.3 is disordered and the average distance between partly occupied sites appears as just 1.55 Aa in Rietveld refinements. However, short-range order is expected to prevent D-D distances under 2 Aa. Paper 3 present the first Reverse Monte Carlo (RMC) study of a metal deuteride. RMC is used in combination with total neutron scattering to model short-range deuterium correlations in disordered c-VD0.77. A practically complete blocking of interstitial sites closer than 2 Aa from any occupied deuterium site is observed. The short-range correlations resemble those of the fully ordered low temperature phase c-VD0.75 at length scales up to about 3 Aa, i.e. for the first two coordination spheres. Paper 4 concerns RMC modelling of short-range deuterium correlations in ZrCr2D4

  20. Average and local structure of selected metal deuterides

    International Nuclear Information System (INIS)

    Soerby, Magnus H.

    2004-01-01

    elevated temperatures (373-573 K) is presented in Paper 1. Deuterium atoms occupy chiefly three types of tetrahedral interstitial sites; two coordinated by 4 Zr atoms and one coordinated by 3 Zr and 1 Ni atoms. The site preference is predominantly ruled by sample composition and less by temperature. On the other hand, the spatial deuterium distribution among the preferred sites is strongly temperature dependant as the long-range correlations break down on heating. The sample is fully decomposed into tetragonal ZrD2 and Zr7Ni10 at 873 K. Th2AlD4 was the only metal deuteride with reported D-D separation substantially below 2 Aa (1.79 Aa) prior to the discovery of RENiInD1.33. However, as being the first ternary deuteride ever studied by PND, the original structure solution was based on very low-resolution data. The present reinvestigation (Paper 2) shows that the site preference was correctly determined, but the deuterium atoms are slightly shifted compared to the earlier report, now yielding acceptable interatomic separations. Solely Th4 tetrahedra are occupied in various Th2Al deuterides. Th8Al4D11 (Th2AlD2.75) takes a superstructure with tripled c-axis due to deuterium ordering. Th2AlD2.3 is disordered and the average distance between partly occupied sites appears as just 1.55 Aa in Rietveld refinements. However, short-range order is expected to prevent D-D distances under 2 Aa. Paper 3 present the first Reverse Monte Carlo (RMC) study of a metal deuteride. RMC is used in combination with total neutron scattering to model short-range deuterium correlations in disordered c-VD0.77. A practically complete blocking of interstitial sites closer than 2 Aa from any occupied deuterium site is observed. The short-range correlations resemble those of the fully ordered low temperature phase c-VD0.75 at length scales up to about 3 Aa, i.e. for the first two coordination spheres. Paper 4 concerns RMC modelling of short-range deuterium correlations in ZrCr2D4 at ambient and low

  1. Large-scale synthesis of coiled-like shaped carbon nanotubes using bi-metal catalyst

    Science.gov (United States)

    Krishna, Vemula Mohana; Somanathan, T.; Manikandan, E.; Umar, Ahmad; Maaza, M.

    2018-02-01

    Carbon nanomaterials (CNMs), especially carbon nanotubes (CNTs) with coiled structure exhibit scientifically fascinating. They may be projected as an innovative preference to future technological materials. Coiled carbon nanotubes (c-CNTs) on a large-scale were successfully synthesized with the help of bi-metal substituted α-alumina nanoparticles catalyst via chemical vapor deposition (CVD) technique. Highly spring-like carbon nanostructures were observed by field emission scanning electron microscope (FESEM) examination. Furthermore, the obtained material has high purity, which correlates the X-ray photoelectron spectroscopy (XPS) and energy dispersive X-ray spectroscopy (EDX) analysis. Raman spectroscopy reveals that the carbon multi layers are well graphitized and crystalline, even if they have defects in its structure due to coiled morphology. High-resolution transmission electron microscope (HRTEM) describes internal structure and dia of the product. Ultimately, results support the activity of bi-metal impregnated α-alumina nanoparticles catalyst to determine the high yield, graphitization and internal structure of the material. We have also studied the purified c-CNTs magnetic properties at room temperature and will be an added advantage in several applications.

  2. Multi-scale simulation of single crystal hollow turbine blade manufactured by liquid metal cooling process

    Directory of Open Access Journals (Sweden)

    Xuewei Yan

    2018-02-01

    Full Text Available Liquid metal cooling (LMC process as a powerful directional solidification (DS technique is prospectively used to manufacture single crystal (SC turbine blades. An understanding of the temperature distribution and microstructure evolution in LMC process is required in order to improve the properties of the blades. For this reason, a multi-scale model coupling with the temperature field, grain growth and solute diffusion was established. The temperature distribution and mushy zone evolution of the hollow blade was simulated and discussed. According to the simulation results, the mushy zone might be convex and ahead of the ceramic beads at a lower withdrawal rate, while it will be concave and laggard at a higher withdrawal rate, and a uniform and horizontal mushy zone will be formed at a medium withdrawal rate. Grain growth of the blade at different withdrawal rates was also investigated. Single crystal structures were all selected out at three different withdrawal rates. Moreover, mis-orientation of the grains at 8 mm/min reached ~30°, while it was ~5° and ~15° at 10 mm/min and 12 mm/min, respectively. The model for predicting dendritic morphology was verified by corresponding experiment. Large scale for 2D dendritic distribution in the whole sections was investigated by experiment and simulation, and they presented a well agreement with each other. Keywords: Hollow blade, Single crystal, Multi-scale simulation, Liquid metal cooling

  3. Surface/structure functionalization of copper-based catalysts by metal-support and/or metal-metal interactions

    Science.gov (United States)

    Konsolakis, Michalis; Ioakeimidis, Zisis

    2014-11-01

    Cu-based catalysts have recently attracted great attention both in catalysis and electro-catalysis fields due to their excellent catalytic performance and low cost. Given that their performance is determined, to a great extent, by Cu sites local environment, considerable efforts have been devoted on the strategic modifications of the electronic and structural properties of Cu sites. In this regard, the feasibility of tuning the local structure of Cu entities by means of metal-support or metal-metal interactions is investigated. More specifically, the physicochemical properties of Cu entities are modified by employing: (i) different oxides (CeO2, La2O3, Sm2O3), or (ii) ceria-based mixed oxides (Ce1-xSmxOδ) as supporting carriers, and (iii) a second metal (Cobalt) adjacent to Cu (bimetallic Cu-Co/CeO2). A characterization study, involving BET, XRD, TPR, and XPS, reveal that significant modifications on structural, redox and electronic properties of Cu sites can be induced by adopting either different oxide carriers or bimetallic complexes. Fundamental insights into the tuning of Cu local environment by metal-support or metal-metal interactions are provided, paving the way for real-life industrial applications.

  4. Structure and properties of transition metal-metalloid glasses based on refractory metals

    International Nuclear Information System (INIS)

    Johnson, W.L.; Williams, A.R.

    1979-01-01

    The structure and properties of several new transition metal-metalloid (TM/sub 1-x/M/sub x/) metallic glasses based on refractory transition metals (e.g. Mo, W, Ru etc.) have been systemically investigated as a function of composition. The structure of the alloys has been investigated by x-ray diffraction methods and measurements of superconducting properties, electrical resistivity, density, hardness, and mechanical behavior were made. These data are used in developing a novel description of the structure of TM/sub 1-x/M/sub x/ glasses. The experimental evidence suggests that an ideal amorphous phase forms at a specific composition x/sub c/ and that this phase has a well defined atomic short range order. For metallic glasses having x x/sub c/. This novel picture can explain the variation of many properties of these glasses with metalloid concentration

  5. Fundamental structure of steady plastic shock waves in metals

    International Nuclear Information System (INIS)

    Molinari, A.; Ravichandran, G.

    2004-01-01

    The propagation of steady plane shock waves in metallic materials is considered. Following the constitutive framework adopted by R. J. Clifton [Shock Waves and the Mechanical Properties of Solids, edited by J. J. Burke and V. Weiss (Syracuse University Press, Syracuse, N.Y., 1971), p. 73] for analyzing elastic-plastic transient waves, an analytical solution of the steady state propagation of plastic shocks is proposed. The problem is formulated in a Lagrangian setting appropriate for large deformations. The material response is characterized by a quasistatic tensile (compression) test (providing the isothermal strain hardening law). In addition the elastic response is determined up to second order elastic constants by ultrasonic measurements. Based on this simple information, it is shown that the shock kinetics can be quite well described for moderate shocks in aluminum with stress amplitude up to 10 GPa. Under the later assumption, the elastic response is assumed to be isentropic, and thermomechanical coupling is neglected. The model material considered here is aluminum, but the analysis is general and can be applied to any viscoplastic material subjected to moderate amplitude shocks. Comparisons with experimental data are made for the shock velocity, the particle velocity and the shock structure. The shock structure is obtained by quadrature of a first order differential equation, which provides analytical results under certain simplifying assumptions. The effects of material parameters and loading conditions on the shock kinetics and shock structure are discussed. The shock width is characterized by assuming an overstress formulation for the viscoplastic response. The effects on the shock structure of strain rate sensitivity are analyzed and the rationale for the J. W. Swegle and D. E. Grady [J. Appl. Phys. 58, 692 (1985)] universal scaling law for homogeneous materials is explored. Finally, the ability to deduce information on the viscoplastic response of

  6. Fundamental structure of steady plastic shock waves in metals

    Science.gov (United States)

    Molinari, A.; Ravichandran, G.

    2004-02-01

    The propagation of steady plane shock waves in metallic materials is considered. Following the constitutive framework adopted by R. J. Clifton [Shock Waves and the Mechanical Properties of Solids, edited by J. J. Burke and V. Weiss (Syracuse University Press, Syracuse, N.Y., 1971), p. 73] for analyzing elastic-plastic transient waves, an analytical solution of the steady state propagation of plastic shocks is proposed. The problem is formulated in a Lagrangian setting appropriate for large deformations. The material response is characterized by a quasistatic tensile (compression) test (providing the isothermal strain hardening law). In addition the elastic response is determined up to second order elastic constants by ultrasonic measurements. Based on this simple information, it is shown that the shock kinetics can be quite well described for moderate shocks in aluminum with stress amplitude up to 10 GPa. Under the later assumption, the elastic response is assumed to be isentropic, and thermomechanical coupling is neglected. The model material considered here is aluminum, but the analysis is general and can be applied to any viscoplastic material subjected to moderate amplitude shocks. Comparisons with experimental data are made for the shock velocity, the particle velocity and the shock structure. The shock structure is obtained by quadrature of a first order differential equation, which provides analytical results under certain simplifying assumptions. The effects of material parameters and loading conditions on the shock kinetics and shock structure are discussed. The shock width is characterized by assuming an overstress formulation for the viscoplastic response. The effects on the shock structure of strain rate sensitivity are analyzed and the rationale for the J. W. Swegle and D. E. Grady [J. Appl. Phys. 58, 692 (1985)] universal scaling law for homogeneous materials is explored. Finally, the ability to deduce information on the viscoplastic response of

  7. Synthesis and structural characterization of alkali metal arsinoamides.

    Science.gov (United States)

    Chen, Xiao; Gamer, Michael T; Roesky, Peter W

    2017-12-20

    The aminoarsane Mes 2 AsN(H)Ph was prepared from Mes 2 AsCl and aniline in good yields. Deprotonation of Mes 2 AsN(H)Ph with suitable alkali metal bases resulted in the corresponding alkali metal derivatives. Thus, reaction of Mes 2 AsN(H)Ph with nBuLi, NaN(SiMe 3 ) 2 , or KH gave the metal complexes [(Mes 2 AsNPh){Li(OEt 2 ) 2 }], [(Mes 2 AsNPh){Na(OEt 2 )}] 2 , and [(Mes 2 AsNPh){K(THF)}] 2 . These are the first metal complexes ligated by an arsinoamide. All solid-state structures were established by single crystal X-ray diffraction. The lithium compounds form a monomer in the solid-state, whereas the sodium and the potassium derivatives are dimers. In the dimeric compounds intra- and intermolecular π-interaction of the aromatic rings with the metal atoms is observed.

  8. One-Electron Theory of Metals. Cohesive and Structural Properties

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt

    The work described in the report r.nd the 16 accompanying publications is based upon a one-electron theory obtained within the local approximation to density-functional theory, and deals with the ground state of metals as obtained from selfconsistent electronic-structure calculations performed...... by means of the Linear Muffin-Tin Orbital (LMTO) method. It has been the goal of the work to establish how well this one-electron approach describes physical properties such as the crystal structures of the transition metals, the structural phase transitions in the alkali, alkaline earth, and rare earth...

  9. Structure of liquid alkali metals as electron-ion plasmas

    International Nuclear Information System (INIS)

    Chaturvedi, D.K.; Senatore, G.; Tosi, M.P.

    1980-08-01

    The static structure factor of liquid alkali metals near freezing, and its dependence on temperature and pressure, are evaluated in an electron-ion plasma model from an accurate theoretical determination of the structure factor of the one-component classical plasma and electron-screening theory. Very good agreement is obtained with the available experimental data. (author)

  10. Proximity effect in normal metal-multiband superconductor hybrid structures

    NARCIS (Netherlands)

    Brinkman, Alexander; Golubov, Alexandre Avraamovitch; Kupriyanov, M. Yu

    2004-01-01

    A theory of the proximity effect in normal metal¿multiband superconductor hybrid structures is formulated within the quasiclassical Green's function formalism. The quasiclassical boundary conditions for multiband hybrid structures are derived in the dirty limit. It is shown that the existence of

  11. The stellar content, metallicity and ionization structure of HII regions

    NARCIS (Netherlands)

    Martin-Hernandez, NL; Vermeij, R; Tielens, AGGM; van der Hulst, JM; Peeters, E

    Observations of infrared fine-structure lines provide direct information on the metallicity and ionization structure of H II regions and indirectly on the hardness of the radiation field ionizing these nebulae. We have analyzed a sample of Galactic and Magellanic Cloud H II regions observed by the

  12. Structural properties of low-density liquid alkali metals

    Indian Academy of Sciences (India)

    The static structure factors of liquid alkali metals have been modelled at temperatures close to their melting points and a few higher temperatures using the reverse Monte Carlo (RMC) method. The positions of 5000 atoms in a box, with full periodicity, were altered until the experimental diffraction data of the structure factor ...

  13. Six-kilogram-scale electrorefining of plutonium metal

    International Nuclear Information System (INIS)

    Mullins, L.J.; Morgan, A.N.; Apgar, S.A. III; Christensen, D.C.

    1982-09-01

    The electrorefining of metallic plutonium scrap to produce high purity metal has been an established procedure at Los Alamos since 1964. This is a batch process and was limited to 4-kg plutonium because of criticality safety considerations. Improvements in critical mass measurements have permitted us to develop a process for 6-kg plutonium. The 6-kg process is now operational. The increased size of the process, together with other improvements which have been made, makes plutonium electrorefining the principal industrial tool for processing and purifying metallic plutonium scrap

  14. Structural Design and Sizing of a Metallic Cryotank Concept

    Science.gov (United States)

    Sleight, David W.; Martin, Robert A.; Johnson, Theodore F.

    2013-01-01

    This paper presents the structural design and sizing details of a 33-foot (10 m) metallic cryotank concept used as the reference design to compare with the composite cryotank concepts developed by industry as part of NASA s Composite Cryotank Technology Development (CCTD) Project. The structural design methodology and analysis results for the metallic cryotank concept are reported in the paper. The paper describes the details of the metallic cryotank sizing assumptions for the baseline and reference tank designs. In particular, the paper discusses the details of the cryotank weld land design and analyses performed to obtain a reduced weight metallic cryotank design using current materials and manufacturing techniques. The paper also discusses advanced manufacturing techniques to spin-form the cryotank domes and compares the potential mass savings to current friction stir-welded technology.

  15. Electronic structure, bonding and chemisorption in metallic hydrides

    International Nuclear Information System (INIS)

    Ward, J.W.

    1980-01-01

    Problems that can arise during the cycling steps for a hydride storage system usually involve events at surfaces. Chemisorption and reaction processes can be affected by small amounts of contaminants that may act as catalytic poisons. The nature of the poisoning process can vary greatly for the different metals and alloys that form hydrides. A unifying concept is offered, which satisfactorily correlates many of the properties of transition-metal, rare-earth and actinide hydrides. The metallic hydrides can be differentiated on the basis of electronegativity, metallic radius (valence) and electronic structure. For those systems where there are d (transition metals) or f (early actinides) electrons near the Fermi level a broad range of chemical and catalytic behaviors are found, depending on bandwidth and energy. The more electropositive metals (rare-earths, actinides, transition metals with d > 5) dissolve hydrogen and form hydrides by an electronically somewhat different process, and as a class tend to adsorb electrophobic molecules. The net charge-transfer in either situation is subtle; however, the small differences are responsible for many of the observed structural, chemical, and catalytic properties in these hydride systems

  16. The prisoner's dilemma in structured scale-free networks

    International Nuclear Information System (INIS)

    Li Xing; Wu Yonghui; Zhang Zhongzhi; Zhou Shuigeng; Rong Zhihai

    2009-01-01

    The conventional wisdom is that scale-free networks are prone to cooperation spreading. In this paper we investigate the cooperative behavior on the structured scale-free network. In contrast to the conventional wisdom that scale-free networks are prone to cooperation spreading, the evolution of cooperation is inhibited on the structured scale-free network when the prisoner's dilemma (PD) game is modeled. First, we demonstrate that neither the scale-free property nor the high clustering coefficient is responsible for the inhibition of cooperation spreading on the structured scale-free network. Then we provide one heuristic method to argue that the lack of age correlations and its associated 'large-world' behavior in the structured scale-free network inhibit the spread of cooperation. These findings may help enlighten further studies on the evolutionary dynamics of the PD game in scale-free networks

  17. Structural colors from Morpho peleides butterfly wing scales

    KAUST Repository

    Ding, Yong; Xu, Sheng; Wang, Zhong Lin

    2009-01-01

    A male Morpho peleides butterfly wing is decorated by two types of scales, cover and ground scales. We have studied the optical properties of each type of scales in conjunction with the structural information provided by cross-sectional transmission electron microscopy and computer simulation. The shining blue color is mainly from the Bragg reflection of the one-dimensional photonic structure, e.g., the shelf structure packed regularly in each ridges on cover scales. A thin-film-like interference effect from the base plate of the cover scale enhances such blue color and further gives extra reflection peaks in the infrared and ultraviolet regions. The analogy in the spectra acquired from the original wing and that from the cover scales suggests that the cover scales take a dominant role in its structural color. This study provides insight of using the biotemplates for fabricating smart photonic structures. © 2009 American Institute of Physics.

  18. Probes of large-scale structure in the Universe

    International Nuclear Information System (INIS)

    Suto, Yasushi; Gorski, K.; Juszkiewicz, R.; Silk, J.

    1988-01-01

    Recent progress in observational techniques has made it possible to confront quantitatively various models for the large-scale structure of the Universe with detailed observational data. We develop a general formalism to show that the gravitational instability theory for the origin of large-scale structure is now capable of critically confronting observational results on cosmic microwave background radiation angular anisotropies, large-scale bulk motions and large-scale clumpiness in the galaxy counts. (author)

  19. Structural study of conventional and bulk metallic glasses during annealing

    International Nuclear Information System (INIS)

    Pineda, E.; Hidalgo, I.; Bruna, P.; Pradell, T.; Labrador, A.; Crespo, D.

    2009-01-01

    Metallic glasses with conventional glass-forming ability (Al-Fe-Nd, Fe-Zr-B, Fe-B-Nb compositions) and bulk metallic glasses (Ca-Mg-Cu compositions) were studied by synchrotron X-ray diffraction during annealing throughout glass transition and crystallization temperatures. The analysis of the first diffraction peak position during the annealing process allowed us to follow the free volume change during relaxation and glass transition. The structure factor and the radial distribution function of the glasses were obtained from the X-ray measurements. The structural changes occurred during annealing are analyzed and discussed.

  20. Metal Oxide Nano structures: Synthesis, Properties, and Applications

    International Nuclear Information System (INIS)

    Xu, L. H.; Patil, D. S.; Yang, J.; Xiao, J.

    2015-01-01

    In recent years, nano structured materials have attracted wide attention due to their fascinating optical and electrical properties, which make these materials potentially suitable for applications in electronics, optics, photonics, and sensors. Some metal oxides show a wide variety of morphologies such as nano wires, nano rods, nano tubes, nano rings, and nano belts. Synthesis and investigation of these metal-oxide nano structures are beneficial not only for understanding the fundamental phenomena in low dimensional systems, but also for developing new-generation nano devices with high performance.

  1. Electronic Structure of Rare-Earth Metals. II. Positron Annihilation

    DEFF Research Database (Denmark)

    Williams, R. W.; Mackintosh, Allan

    1968-01-01

    of Loucks shows that the independent-particle model gives a good first approximation to the angular distribution, although correlation effects probably smear out some of the structure. The angular distributions from the heavy rare-earth metals are very similar to that from Y and can be understood....... In the spiral phase of Ho, the structure in the c-axis distribution is much reduced, indicating that the Fermi surface is substantially modified by the magnetic ordering, as expected. The photon distribution from the equiatomic Ho-Er alloy is very similar to those from the constituent metals, although...

  2. Scale effects in metal-forming friction and lubrication

    DEFF Research Database (Denmark)

    Nielsen, Peter Søe; Paldan, Nikolas Aulin; Calaon, Matteo

    2011-01-01

    Downscaling of metal-forming operations from macro-to microscale implies significant changes caused by size effects. Among these, the friction increases as reported by researchers using indirect test methods such as the ring-compression test and double-cup-extrusion test. In this study, a new test...... equipment is developed for studies of the size effect in metal-forming friction in the range from macro-to microscale. Investigations confirm a significant friction increase when downscaling. Visual inspection of the workpieces shows this to be explained by the amount of open and closed lubricant pockets....

  3. Large scale structure from viscous dark matter

    CERN Document Server

    Blas, Diego; Garny, Mathias; Tetradis, Nikolaos; Wiedemann, Urs Achim

    2015-01-01

    Cosmological perturbations of sufficiently long wavelength admit a fluid dynamic description. We consider modes with wavevectors below a scale $k_m$ for which the dynamics is only mildly non-linear. The leading effect of modes above that scale can be accounted for by effective non-equilibrium viscosity and pressure terms. For mildly non-linear scales, these mainly arise from momentum transport within the ideal and cold but inhomogeneous fluid, while momentum transport due to more microscopic degrees of freedom is suppressed. As a consequence, concrete expressions with no free parameters, except the matching scale $k_m$, can be derived from matching evolution equations to standard cosmological perturbation theory. Two-loop calculations of the matter power spectrum in the viscous theory lead to excellent agreement with $N$-body simulations up to scales $k=0.2 \\, h/$Mpc. The convergence properties in the ultraviolet are better than for standard perturbation theory and the results are robust with respect to varia...

  4. Sub-micrometer-scale patterning on Zr-based metallic glass using focused ion beam irradiation and chemical etching

    Energy Technology Data Exchange (ETDEWEB)

    Kawasegi, Noritaka [Graduate School of Science and Engineering, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Morita, Noboru [Graduate School of Science and Engineering for Research, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Yamada, Shigeru [Graduate School of Science and Engineering for Research, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Takano, Noboru [Graduate School of Science and Engineering for Research, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Oyama, Tatsuo [Department of Mechanical and Intellectual Systems Engineering, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Ashida, Kiwamu [Advanced Manufacturing Research Institute, National Institute of Advanced Industrial Science and Technology, 1-2-1 Namiki, Tsukuba, Ibaraki 305-8564 (Japan); Momota, Sadao [Department of Intelligent Mechanical Systems Engineering, Kochi University of Technology, 185 Tosayamada, Kochi 782-8502 (Japan); Taniguchi, Jun [Department of Applied Electronics, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba 278-8510 (Japan); Miyamoto, Iwao [Department of Applied Electronics, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba 278-8510 (Japan); Ofune, Hitoshi [YKK Corporation, 200 Yoshida, Kurobe, Toyama 938-8601 (Japan)

    2007-09-19

    This report describes a method of sub-micrometer-scale rapid patterning on a Zr-based metallic glass surface using a combination of focused ion beam irradiation and wet chemical etching. We found that a Zr-based metallic glass surface irradiated with Ga{sup +} ions could be selectively etched; a concave structure with a width and depth of several tens to hundreds of nanometers rapidly formed in the irradiated area. Moreover, we determined that the etching was enhanced by the presence of Ga{sup +} ions rather than a change in the crystal structure, and the structure could be fabricated while the substrate remained amorphous. The shape of the structure was principally a function of the dose and the etch time.

  5. Dynamic modelling of heavy metals - time scales and target loads

    NARCIS (Netherlands)

    Posch, M.; Vries, de W.

    2009-01-01

    Over the past decade steady-state methods have been developed to assess critical loads of metals avoiding long-term risks in view of food quality and eco-toxicological effects on organisms in soils and surface waters. However, dynamic models are needed to estimate the times involved in attaining a

  6. Optimization of Large-Scale Structural Systems

    DEFF Research Database (Denmark)

    Jensen, F. M.

    solutions to small problems with one or two variables to the optimization of large structures such as bridges, ships and offshore structures. The methods used for salving these problems have evolved from being classical differential calculus and calculus of variation to very advanced numerical techniques...

  7. Structural applications of metal foams considering material and geometrical uncertainty

    Science.gov (United States)

    Moradi, Mohammadreza

    Metal foam is a relatively new and potentially revolutionary material that allows for components to be replaced with elements capable of large energy dissipation, or components to be stiffened with elements which will generate significant supplementary energy dissipation when buckling occurs. Metal foams provide a means to explore reconfiguring steel structures to mitigate cross-section buckling in many cases and dramatically increase energy dissipation in all cases. The microstructure of metal foams consists of solid and void phases. These voids have random shape and size. Therefore, randomness ,which is introduced into metal foams during the manufacturing processes, creating more uncertainty in the behavior of metal foams compared to solid steel. Therefore, studying uncertainty in the performance metrics of structures which have metal foams is more crucial than for conventional structures. Therefore, in this study, structural application of metal foams considering material and geometrical uncertainty is presented. This study applies the Sobol' decomposition of a function of many random variables to different problem in structural mechanics. First, the Sobol' decomposition itself is reviewed and extended to cover the case in which the input random variables have Gaussian distribution. Then two examples are given for a polynomial function of 3 random variables and the collapse load of a two story frame. In the structural example, the Sobol' decomposition is used to decompose the variance of the response, the collapse load, into contributions from the individual input variables. This decomposition reveals the relative importance of the individual member yield stresses in determining the collapse load of the frame. In applying the Sobol' decomposition to this structural problem the following issues are addressed: calculation of the components of the Sobol' decomposition by Monte Carlo simulation; the effect of input distribution on the Sobol' decomposition

  8. Electrochemically grown metallic nanocomb structures on nanoporous alumina templates

    International Nuclear Information System (INIS)

    Kaya, Savas; Atar, Erdem

    2011-01-01

    Electrochemical growth of metallic nanocomb structures on anodized alumina templates is described. Nanocombs originate from the orderly growth and merger of very thin (d=15±5 nm) metallic nanowires which do not completely fill much larger pores (d∼100 nm) in the alumina template (t≤3 μm). Instead, the nanowires prefer growing along the inner corners of the hexagonal pores, coalescing into a highly ordered structure as they emerge, resulting a metallic form reminiscent of the topology of the original template. We disclose here the typical processing conditions and the microstructure of this previously unknown material as observed with a scanning electron microscope (SEM) and energy dispersive x-ray (EDX) spectroscopy. It is shown that Au nanocombs have an anomalous EDX spectra and can emit electrons at a field of ∼1 kV/cm.

  9. Metal–insulator–metal light absorber: a continuous structure

    International Nuclear Information System (INIS)

    Yan, M

    2013-01-01

    A type of light absorber made of continuous layers of metal and dielectric films is studied. The metal films can have thicknesses close to their skin depths in the wavelength range concerned, which allows for both light transmission and reflection. Resonances induced by multiple reflections in the structure, when combined with the inherent lossy nature of metals, result in strong absorption spectral features. An eigen-mode analysis is carried out for the plasmonic multilayer nanostructures which provides a generic understanding of the absorption features. Experimentally, the calculation is verified by a reflection measurement with a representative structure. Such an absorber is simple to fabricate. The highly efficient absorption characteristics can be potentially deployed for optical filter designs, sensors, accurate photothermal temperature control in a micro-environment and even for backscattering reduction of small particles, etc. (paper)

  10. Structure of Student Time Management Scale (STMS)

    Science.gov (United States)

    Balamurugan, M.

    2013-01-01

    With the aim of constructing a Student Time Management Scale (STMS), the initial version was administered and data were collected from 523 standard eleventh students. (Mean age = 15.64). The data obtained were subjected to Reliability and Factor analysis using PASW Statistical software version 18. From 42 items 14 were dropped, resulting in the…

  11. Atomic-level structure and structure-property relationship in metallic glass

    Science.gov (United States)

    Cheng, Yongqiang

    One of the key tasks in material science is to understand the structure and structure-property relationship. The recently emerging bulk metallic glasses (BMGs) have demonstrated unique properties, especially intriguing mechanical properties such as their high strength and high propensity to localize deformation in shear bands. However, a comprehensive understanding of the structure of BMGs has been hindered by the complexity of these amorphous materials. Even more challenging is the structure-property correlation, which has been well established in crystals but has been seriously lacking for BMGs. This thesis presents a systematic study of the atomic-level structures of two representative BMGs, Cu-Zr and Cu-Zr-Al. The interpenetrating Cu-centered icosahedral clusters have been identified to be the primary structural feature. The fraction of icosahedra increases with increasing Cu or Al contents, and with decreasing cooling rate. The effect of Al in improving the icosahedral order is two-fold: the geometric effect due to the atomic-size mismatch and the chemical effect originated from the Cu-Al bond shortening. The resolved structure is used to study the structure-property relationship. The full icosahedra are found to be responsible for the dynamical slowdown of the supercooled liquid, which underlies the non-Arrhenius behavior, and explains the composition dependence of glass transition temperature, glass forming ability, and the room temperature strength. By simulated deformation, the initiation of plasticity and tendency for strain localization are also investigated. The full icosahedra are found to be the most rigid and resistant cluster with solid-like character, while the unstable clusters with liquid-like character serve as the fertile sites for initiating shear transformations. In addition, the elastic moduli are calculated and analyzed, and the origins of the different configurational dependence of shear modulus (G) and bulk modulus ( B) are explained. The

  12. A model for the electric conduction in metal/poly-TiO2/metal structure

    Science.gov (United States)

    Hossein-Babaei, Faramarz; Alaei-Sheini, Navid-

    2017-12-01

    Intensely studied memristive devices have M‧/MO/M″ structures, wherein MO is a nanometer-sized metal oxide crystallite sandwiched between the M‧ and M″ metal electrodes. The most widely used oxide for this purpose is TiO2 and the electrodes are of noble metals such as platinum, silver, and gold. The memristive features of the device is believed to originate from the motion of the ionized oxygen vacancies within the oxide crystal. The operation of the device is further complicated by the motion of the mobile cations originating from the metal electrodes. The complexity of the device performance increases further when the noble metal electrodes form Schottky barriers at their junctions with TiO2, as the conduction takes place through these energy barriers. In a recent publication, the authors have shown that, owing to the ohmicity of the Ti/TiO2 junctions, electronic observations on the devices with Ti/TiO2/Ti structure can be easier to model. The presented model clarified that in a Ti/poly-TiO2/Ti structure, the ionic motion and the electronic conduction take place on the TiO2 grain surfaces and grain boundaries rather than the grain interiors. Here, we show that the suggested model has important implications for chemical sensor design and fabrication.

  13. Development of Metal Plate with Internal Structure Utilizing the Metal Injection Molding (MIM Process

    Directory of Open Access Journals (Sweden)

    Kwangho Shin

    2013-12-01

    Full Text Available In this study, we focus on making a double-sided metal plate with an internal structure, such as honeycomb. The stainless steel powder was used in the metal injection molding (MIM process. The preliminary studies were carried out for the measurement of the viscosity of the stainless steel feedstock and for the prediction of the filling behavior through Computer Aided Engineering (CAE simulation. PE (high density polyethylene (HDPE and low density polyethylene (LDPE and polypropylene (PP resins were used to make the sacrificed insert with a honeycomb structure using a plastic injection molding process. Additionally, these sacrificed insert parts were inserted in the metal injection mold, and the metal injection molding process was carried out to build a green part with rectangular shape. Subsequently, debinding and sintering processes were adopted to remove the sacrificed polymer insert. The insert had a suitable rigidity that was able to endure the filling pressure. The core shift analysis was conducted to predict the deformation of the insert part. The 17-4PH feedstock with a low melting temperature was applied. The glass transition temperature of the sacrificed polymer insert would be of a high grade, and this insert should be maintained during the MIM process. Through these processes, a square metal plate with a honeycomb structure was made.

  14. Process, structure, property and applications of metallic glasses

    Directory of Open Access Journals (Sweden)

    B. Geetha Priyadarshini

    2016-07-01

    Full Text Available Metallic glasses (MGs are gaining immense technological significance due to their unique structure-property relationship with renewed interest in diverse field of applications including biomedical implants, commercial products, machinery parts, and micro-electro-mechanical systems (MEMS. Various processing routes have been adopted to fabricate MGs with short-range ordering which is believed to be the genesis of unique structure. Understanding the structure of these unique materials is a long-standing unsolved mystery. Unlike crystalline counterpart, the outstanding properties of metallic glasses owing to the absence of grain boundaries is reported to exhibit high hardness, excellent strength, high elastic strain, and anti-corrosion properties. The combination of these remarkable properties would significantly contribute to improvement of performance and reliability of these materials when incorporated as bio-implants. The nucleation and growth of metallic glasses is driven by thermodynamics and kinetics in non-equilibrium conditions. This comprehensive review article discusses the various attributes of metallic glasses with an aim to understand the fundamentals of relationship process-structure-property existing in such unique class of material.

  15. Durability of adhesive glass-metal connections for structural applications

    NARCIS (Netherlands)

    Van Lancker, B.; Dispersyn, J.; De Corte, W.; Belis, J.

    2016-01-01

    The use of adhesive bonds for structural glass-metal connections in the building envelope has increased in recent years. Despite the multiple advantages compared to more traditional bolted connections, long-term behaviour and durability of the adhesives have to be investigated accurately. Because,

  16. Supramolecular Assembly of Calcium Metal - Organic Frameworks with Structural Transformation

    Czech Academy of Sciences Publication Activity Database

    Liang, P.-Ch.; Liu, H.-K.; Yeh, Ch.-T.; Lin, Ch.-H.; Zima, Vítězslav

    2011-01-01

    Roč. 11, č. 3 (2011), 699-708 ISSN 1528-7483 R&D Projects: GA ČR GA203/08/0208 Institutional research plan: CEZ:AV0Z40500505 Keywords : metal - organic frameworks * calcium * structure Subject RIV: CA - Inorganic Chemistry Impact factor: 4.720, year: 2011

  17. Rocksalt nitride metal/semiconductor superlattices: A new class of artificially structured materials

    Science.gov (United States)

    Saha, Bivas; Shakouri, Ali; Sands, Timothy D.

    2018-06-01

    Artificially structured materials in the form of superlattice heterostructures enable the search for exotic new physics and novel device functionalities, and serve as tools to push the fundamentals of scientific and engineering knowledge. Semiconductor heterostructures are the most celebrated and widely studied artificially structured materials, having led to the development of quantum well lasers, quantum cascade lasers, measurements of the fractional quantum Hall effect, and numerous other scientific concepts and practical device technologies. However, combining metals with semiconductors at the atomic scale to develop metal/semiconductor superlattices and heterostructures has remained a profoundly difficult scientific and engineering challenge. Though the potential applications of metal/semiconductor heterostructures could range from energy conversion to photonic computing to high-temperature electronics, materials challenges primarily had severely limited progress in this pursuit until very recently. In this article, we detail the progress that has taken place over the last decade to overcome the materials engineering challenges to grow high quality epitaxial, nominally single crystalline metal/semiconductor superlattices based on transition metal nitrides (TMN). The epitaxial rocksalt TiN/(Al,Sc)N metamaterials are the first pseudomorphic metal/semiconductor superlattices to the best of our knowledge, and their physical properties promise a new era in superlattice physics and device engineering.

  18. Wafer-Scale Aluminum Nanoplasmonic Resonators with Optimized Metal Deposition

    Science.gov (United States)

    2016-01-04

    Because the plasma frequency of aluminum is at significantly higher energies than that of gold or silver, aluminum holds promise for UV sensing and...plasmonics. Unlike plasmonic devices based on coinage metals, such as gold and silver, which are effectively banned from silicon semiconductor fabrication... hydroxide -based developer. Finally, samples were plasma etched using a 1200 W plasma with a 145 W bias and a 12 mTorr chamber pressure. The flow

  19. Scaling Relationships for Adsorption Energies of C2 Hydrocarbons on Transition Metal Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Jones, G

    2011-08-18

    Using density functional theory calculations we show that the adsorption energies for C{sub 2}H{sub x}-type adsorbates on transition metal surfaces scale with each other according to a simple bond order conservation model. This observation generalizes some recently recognized adsorption energy scaling laws for AH{sub x}-type adsorbates to unsaturated hydrocarbons and establishes a coherent simplified description of saturated as well as unsaturated hydrocarbons adsorbed on transition metal surfaces. A number of potential applications are discussed. We apply the model to the dehydrogenation of ethane over pure transition metal catalysts. Comparison with the corresponding full density functional theory calculations shows excellent agreement.

  20. Metal supplementation to UASB bioreactors: from cell-metal interactions to full-scale application

    International Nuclear Information System (INIS)

    Fermoso, Fernando G.; Bartacek, Jan; Jansen, Stefan; Lens, Piet N.L.

    2009-01-01

    Upflow anaerobic sludge bed (UASB) bioreactors are commonly used for anaerobic wastewater treatment. Trace metals need to be dosed to these bioreactors to maintain microbial metabolism and growth. The dosing needs to balance the supply of a minimum amount of micronutrients to support a desired microbial activity or growth rate with a maximum level of micronutrient supply above which the trace metals become inhibitory or toxic. In studies on granular sludge reactors, the required micronutrients are undefined and different metal formulations with differences in composition, concentration and species are used. Moreover, an appropriate quantification of the required nutrient dosing and suitable ranges during the entire operational period has been given little attention. This review summarizes the state-of-the-art knowledge of the interactions between trace metals and cells growing in anaerobic granules, which is the main type of biomass retention in anaerobic wastewater treatment reactors. The impact of trace metal limitation as well as overdosing (toxicity) on the biomass is overviewed and the consequences for reactor performance are detailed. Special attention is given to the influence of metal speciation in the liquid and solid phase on bioavailability. The currently used methods for trace metal dosing into wastewater treatment reactors are overviewed and ways of optimization are suggested.

  1. Metal supplementation to UASB bioreactors: from cell-metal interactions to full-scale application

    Energy Technology Data Exchange (ETDEWEB)

    Fermoso, Fernando G. [Sub-department of Environmental Technology, Wageningen University, ' Biotechnion' -Bomenweg 2, P.O. Box 8129, 6700 EV Wageningen (Netherlands); Bartacek, Jan [Sub-department of Environmental Technology, Wageningen University, ' Biotechnion' -Bomenweg 2, P.O. Box 8129, 6700 EV Wageningen (Netherlands); Pollution Prevention and Control core, UNESCO-IHE, P.O. Box 3015, 2601 DA Delft (Netherlands); Jansen, Stefan [Laboratory of Physical Chemistry and Colloid Science, Wageningen University, Dreijenplein 6, 6703 HB Wageningen (Netherlands); Lens, Piet N.L., E-mail: Piet.Lens@wur.nl [Sub-department of Environmental Technology, Wageningen University, ' Biotechnion' -Bomenweg 2, P.O. Box 8129, 6700 EV Wageningen (Netherlands); Pollution Prevention and Control core, UNESCO-IHE, P.O. Box 3015, 2601 DA Delft (Netherlands)

    2009-06-01

    Upflow anaerobic sludge bed (UASB) bioreactors are commonly used for anaerobic wastewater treatment. Trace metals need to be dosed to these bioreactors to maintain microbial metabolism and growth. The dosing needs to balance the supply of a minimum amount of micronutrients to support a desired microbial activity or growth rate with a maximum level of micronutrient supply above which the trace metals become inhibitory or toxic. In studies on granular sludge reactors, the required micronutrients are undefined and different metal formulations with differences in composition, concentration and species are used. Moreover, an appropriate quantification of the required nutrient dosing and suitable ranges during the entire operational period has been given little attention. This review summarizes the state-of-the-art knowledge of the interactions between trace metals and cells growing in anaerobic granules, which is the main type of biomass retention in anaerobic wastewater treatment reactors. The impact of trace metal limitation as well as overdosing (toxicity) on the biomass is overviewed and the consequences for reactor performance are detailed. Special attention is given to the influence of metal speciation in the liquid and solid phase on bioavailability. The currently used methods for trace metal dosing into wastewater treatment reactors are overviewed and ways of optimization are suggested.

  2. Hierarchical structure and cytocompatibility of fish scales from Carassius auratus

    International Nuclear Information System (INIS)

    Fang, Zhou; Wang, Yukun; Feng, Qingling; Kienzle, Arne; Müller, Werner E.G.

    2014-01-01

    To study the structure and the cytocompatibility of fish scales from Carassius auratus, scanning electron microscopy (SEM) was used to observe the morphology of fish scales treated with different processing methods. Based on varying morphologies and components, the fish scales can be divided into three regions on the surface and three layers in vertical. The functions of these three individual layers were analyzed. SEM results show that the primary inorganic components are spherical or cubic hydroxyapatite (HA) nanoparticles. The fish scales have an ∼ 60° overlapped plywood structure of lamellas in the fibrillary plate. The plywood structure consists of co-aligned type I collagen fibers, which are parallel to the HA lamellas. X-ray diffraction (XRD), thermogravimetric analysis/differential scanning calorimetry (TGA/DSC) and Fourier transform infrared (FTIR) analysis indicate that the main components are HA and type I collagen fibers. MC3T3-E1 cell culture results show a high cytocompatibility and the ability to guide cell proliferation and migration along the scale ridge channels of the fish scales. This plywood structure provides inspiration for a structure-enhanced composite material. - Highlights: • The Carassius auratus fish scale can be divided into 3 layers rather than 2. • The functions of these three individual layers were firstly analyzed. • The fish scale shows a high cytocompatibility. • The fish scale can guide cells migration along the scale ridge channels

  3. Hierarchical structure and cytocompatibility of fish scales from Carassius auratus

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Zhou [State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Wang, Yukun [State Key Laboratory of Geological Processes and Mineral Resources, China University of Geosciences, Beijing 100084 (China); Feng, Qingling, E-mail: biomater@mail.tsinghua.edu.cn [State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Key Laboratory of Advanced Materials of Ministry of Education of China, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Kienzle, Arne; Müller, Werner E.G. [Institut für Physiologische Chemie, Abteilung Angewandte Molekularbiologie, Johannes Gutenberg-Universität, Duesbergweg 6, Mainz 55099 (Germany)

    2014-10-01

    To study the structure and the cytocompatibility of fish scales from Carassius auratus, scanning electron microscopy (SEM) was used to observe the morphology of fish scales treated with different processing methods. Based on varying morphologies and components, the fish scales can be divided into three regions on the surface and three layers in vertical. The functions of these three individual layers were analyzed. SEM results show that the primary inorganic components are spherical or cubic hydroxyapatite (HA) nanoparticles. The fish scales have an ∼ 60° overlapped plywood structure of lamellas in the fibrillary plate. The plywood structure consists of co-aligned type I collagen fibers, which are parallel to the HA lamellas. X-ray diffraction (XRD), thermogravimetric analysis/differential scanning calorimetry (TGA/DSC) and Fourier transform infrared (FTIR) analysis indicate that the main components are HA and type I collagen fibers. MC3T3-E1 cell culture results show a high cytocompatibility and the ability to guide cell proliferation and migration along the scale ridge channels of the fish scales. This plywood structure provides inspiration for a structure-enhanced composite material. - Highlights: • The Carassius auratus fish scale can be divided into 3 layers rather than 2. • The functions of these three individual layers were firstly analyzed. • The fish scale shows a high cytocompatibility. • The fish scale can guide cells migration along the scale ridge channels.

  4. Unifying Inference of Meso-Scale Structures in Networks.

    Science.gov (United States)

    Tunç, Birkan; Verma, Ragini

    2015-01-01

    Networks are among the most prevalent formal representations in scientific studies, employed to depict interactions between objects such as molecules, neuronal clusters, or social groups. Studies performed at meso-scale that involve grouping of objects based on their distinctive interaction patterns form one of the main lines of investigation in network science. In a social network, for instance, meso-scale structures can correspond to isolated social groupings or groups of individuals that serve as a communication core. Currently, the research on different meso-scale structures such as community and core-periphery structures has been conducted via independent approaches, which precludes the possibility of an algorithmic design that can handle multiple meso-scale structures and deciding which structure explains the observed data better. In this study, we propose a unified formulation for the algorithmic detection and analysis of different meso-scale structures. This facilitates the investigation of hybrid structures that capture the interplay between multiple meso-scale structures and statistical comparison of competing structures, all of which have been hitherto unavailable. We demonstrate the applicability of the methodology in analyzing the human brain network, by determining the dominant organizational structure (communities) of the brain, as well as its auxiliary characteristics (core-periphery).

  5. Unifying Inference of Meso-Scale Structures in Networks.

    Directory of Open Access Journals (Sweden)

    Birkan Tunç

    Full Text Available Networks are among the most prevalent formal representations in scientific studies, employed to depict interactions between objects such as molecules, neuronal clusters, or social groups. Studies performed at meso-scale that involve grouping of objects based on their distinctive interaction patterns form one of the main lines of investigation in network science. In a social network, for instance, meso-scale structures can correspond to isolated social groupings or groups of individuals that serve as a communication core. Currently, the research on different meso-scale structures such as community and core-periphery structures has been conducted via independent approaches, which precludes the possibility of an algorithmic design that can handle multiple meso-scale structures and deciding which structure explains the observed data better. In this study, we propose a unified formulation for the algorithmic detection and analysis of different meso-scale structures. This facilitates the investigation of hybrid structures that capture the interplay between multiple meso-scale structures and statistical comparison of competing structures, all of which have been hitherto unavailable. We demonstrate the applicability of the methodology in analyzing the human brain network, by determining the dominant organizational structure (communities of the brain, as well as its auxiliary characteristics (core-periphery.

  6. Development of porous structure simulator for multi-scale simulation of irregular porous catalysts

    International Nuclear Information System (INIS)

    Koyama, Michihisa; Suzuki, Ai; Sahnoun, Riadh; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A.; Miyamoto, Akira

    2008-01-01

    Efficient development of highly functional porous materials, used as catalysts in the automobile industry, demands a meticulous knowledge of the nano-scale interface at the electronic and atomistic scale. However, it is often difficult to correlate the microscopic interfacial interactions with macroscopic characteristics of the materials; for instance, the interaction between a precious metal and its support oxide with long-term sintering properties of the catalyst. Multi-scale computational chemistry approaches can contribute to bridge the gap between micro- and macroscopic characteristics of these materials; however this type of multi-scale simulations has been difficult to apply especially to porous materials. To overcome this problem, we have developed a novel mesoscopic approach based on a porous structure simulator. This simulator can construct automatically irregular porous structures on a computer, enabling simulations with complex meso-scale structures. Moreover, in this work we have developed a new method to simulate long-term sintering properties of metal particles on porous catalysts. Finally, we have applied the method to the simulation of sintering properties of Pt on alumina support. This newly developed method has enabled us to propose a multi-scale simulation approach for porous catalysts

  7. Recent Progress in Large-Scale Structure

    CERN Multimedia

    CERN. Geneva

    2014-01-01

    I will discuss recent progress in the understanding of how to model galaxy clustering. While recent analyses have focussed on the baryon acoustic oscillations as a probe of cosmology, galaxy redshift surveys contain a lot more information than the acoustic scale. In extracting this additional information three main issues need to be well understood: nonlinear evolution of matter fluctuations, galaxy bias and redshift-space distortions. I will present recent progress in modeling these three effects that pave the way to constraining cosmology and galaxy formation with increased precision.

  8. Structural coloration of metallic surfaces with micro/nano-structures induced by elliptical vibration texturing

    Science.gov (United States)

    Yang, Yang; Pan, Yayue; Guo, Ping

    2017-04-01

    Creating orderly periodic micro/nano-structures on metallic surfaces, or structural coloration, for control of surface apparent color and optical reflectivity has been an exciting research topic over the years. The direct applications of structural coloration include color marking, display devices, and invisibility cloak. This paper presents an efficient method to colorize metallic surfaces with periodic micro/nano-gratings using elliptical vibration texturing. When the tool vibration is coupled with a constant cutting velocity, controlled periodic ripples can be generated due to the overlapping tool trajectory. These periodic ripples with a wavelength near visible spectrum can act as micro-gratings to introduce iridescent colors. The proposed technique also provides a flexible method for color marking of metallic surfaces with arbitrary patterns and images by precise control of the spacing distance and orientation of induced micro/nano-ripples. Theoretical analysis and experimental results are given to demonstrate structural coloration of metals by a direct mechanical machining technique.

  9. Preparation of high purity metallic protactinium. Crystal structure and dissolution enthalpy of the metal

    International Nuclear Information System (INIS)

    Bohet, J.

    1977-01-01

    Some 300 mg of Pa have been produced in a high purity metallic state. Protactinium monocarbide has been obtained by the carboreduction of Pa 2 O 5 . Protactinium iodide, produced by the direct reaction of iodine on the carbide, has been sublimated at 420 0 C and thermally dissociated at 1200 0 C on a W wire. In these conditions Pa metal has been deposited with a yield greater than 85% and presents a bct structure stable at room temperature (a=3.921+-0.001A and c=3.235+-0.001A). The fcc phase (Fm3m type) (a=5.018+-0.001A) has been obtained by quenching metallic samples (bct) heated in argon at 1500 0 C. The chemical analysis and the transformation of the fcc into bct phase by controlled heat treatments show the presence of this high temperature phase in the metal. Protactinium mononitride (5.58% N) produced by direct reaction of N on Pa at 1100 0 C presents the same fcc crystal structure but the lattice parameter is higher (a=5.047+-0.001A). The dissolution heat of metallic Pa (bct) has been determined in the aqueous solution HCl 12M - HF 0.05M at 298.15+-0.05 K. The standard formation enthalpies of the ionic species Pa(IV) and Pa(V) are respectively equal to -672+-15 kJ.mol -1 and -821+-15 kJ.mol -1

  10. Structural study of Zr-based metallic glasses

    International Nuclear Information System (INIS)

    Matsubara, E.; Ichitsubo, T.; Saida, J.; Kohara, S.; Ohsumi, H.

    2007-01-01

    Structures of Zr 70 Ni 20 Al 10 , Zr 70 Cu 20 Al 10 , Zr 70 Cu 30 and Zr 70 Ni 30 amorphous alloys were analyzed by high-energy X-ray diffraction. The relatively stable Zr 2 Cu amorphous alloy shows a local atom arrangement different from the Zr 2 Cu crystalline phase. By contrast, the less stable Zr 70 Ni 30 amorphous alloy has a structure similar to Zr 2 Ni. In the Zr 70 Cu 20 Al 10 metallic glass, Zr-Al nearest neighbor pairs are introduced in the amorphous structure. In the Zr 70 Ni 20 Al 10 metallic glass, the strong correlation between Zr-Ni pairs is drastically modified by the formation of Zr-Al pairs. The presence of Zr-Al pairs in the ternary alloys suppresses the crystallization and stabilizes the glassy state

  11. Electronic structure and optical properties of metal doped tetraphenylporphyrins

    Science.gov (United States)

    Shah, Esha V.; Roy, Debesh R.

    2018-05-01

    A density functional scrutiny on the structure, electronic and optical properties of metal doped tetraphenylporphyrins MTPP (M=Fe, Co, Ni) is performed. The structural stability of the molecules is evaluated based on the electronic parameters like HOMO-LUMO gap (HLG), chemical hardness (η) and binding energy of the central metal atom to the molecular frame etc. The computed UltraViolet-Visible (UV-Vis) optical absorption spectra for all the compounds are also compared. The molecular structures reported are the lowest energy configurations. The entire calculations are carried out with a widely reliable functional, viz. B3LYP with a popular basis set which includes a scaler relativistic effect, viz. LANL2DZ.

  12. Melting and liquid structure of polyvalent metal halides

    International Nuclear Information System (INIS)

    Tosi, M.P.

    1992-08-01

    A short review is given of recent progress in determining and understanding liquid structure types and melting mechanisms for halides of polyvalent metals. The nature of the preferred local coordination for the polyvalent metal ion in the melt can usually be ascertained from data on liquid mixtures with halogen-donating alkali halides. The stability of these local coordination states and the connectivity that arises between them in the approach to the pure melt determines the character of its short-range and possible medium-range order. A broad classification of structural and melting behaviours can be given on the basis of measured melting parameters and transport coefficients for many compounds, in combination with the available diffraction data on the liquid structure of several compounds. Correlations have been shown to exist with a simple indicator of the nature of the chemical bond and also with appropriate parameters of ionic models, wherever the latter are usefully applicable for semiquantitative calculations of liquid structure. Consequences on the mechanisms for valence electron localization in solutions of metallic elements into strongly structured molten salts are also briefly discussed. (author). 46 refs, 4 figs, 2 tabs

  13. Magnetic activity at infrared frequencies in structured metallic photonic crystals

    International Nuclear Information System (INIS)

    O'Brien, S.; Pendry, J.P.

    2002-01-01

    We derive the effective permeability and permittivity of a nanostructured metallic photonic crystal by analysing the complex reflection and transmission coefficients for slabs of various thicknesses. These quantities were calculated using the transfer matrix method. Our results indicate that these structures could be used to realize a negative effective permeability, at least up to infrared frequencies. The origin of the negative permeability is a resonance due to the internal inductance and capacitance of the structure. We also present an analytic model for the effective permeability of the crystal. The model reveals the importance of the inertial inductance due to the finite mass of the electrons in the metal. We find that this contribution to the inductance has implications for the design of metallic magnetic structures in the optical region of the spectrum. We show that the magnetic activity in the structure is accompanied by the concentration of the incident field energy into very small volumes within the structure. This property will allow us to considerably enhance non-linear effects with minute quantities of material. (author)

  14. Fine-Scale Genetic Structure in Finland

    Directory of Open Access Journals (Sweden)

    Sini Kerminen

    2017-10-01

    Full Text Available Coupling dense genotype data with new computational methods offers unprecedented opportunities for individual-level ancestry estimation once geographically precisely defined reference data sets become available. We study such a reference data set for Finland containing 2376 such individuals from the FINRISK Study survey of 1997 both of whose parents were born close to each other. This sampling strategy focuses on the population structure present in Finland before the 1950s. By using the recent haplotype-based methods ChromoPainter (CP and FineSTRUCTURE (FS we reveal a highly geographically clustered genetic structure in Finland and report its connections to the settlement history as well as to the current dialectal regions of the Finnish language. The main genetic division within Finland shows striking concordance with the 1323 borderline of the treaty of Nöteborg. In general, we detect genetic substructure throughout the country, which reflects stronger regional genetic differences in Finland compared to, for example, the UK, which in a similar analysis was dominated by a single unstructured population. We expect that similar population genetic reference data sets will become available for many more populations in the near future with important applications, for example, in forensic genetics and in genetic association studies. With this in mind, we report those extensions of the CP + FS approach that we found most useful in our analyses of the Finnish data.

  15. Manufacturing of Cast Metal Foams with Irregular Cell Structure

    Directory of Open Access Journals (Sweden)

    Kroupová I.

    2015-06-01

    Full Text Available Metallic foams are materials of which the research is still on-going, with the broad applicability in many different areas (e.g. automotive industry, building industry, medicine, etc.. These metallic materials have specific properties, such as large rigidity at low density, high thermal conductivity, capability to absorb energy, etc. The work is focused on the preparation of these materials using conventional casting technology (infiltration method, which ensures rapid and economically feasible method for production of shaped components. In the experimental part we studied conditions of casting of metallic foams with open pores and irregular cell structure made of ferrous and nonferrous alloys by use of various types of filler material (precursors.

  16. Large scale 2D/3D hybrids based on gallium nitride and transition metal dichalcogenides.

    Science.gov (United States)

    Zhang, Kehao; Jariwala, Bhakti; Li, Jun; Briggs, Natalie C; Wang, Baoming; Ruzmetov, Dmitry; Burke, Robert A; Lerach, Jordan O; Ivanov, Tony G; Haque, Md; Feenstra, Randall M; Robinson, Joshua A

    2017-12-21

    Two and three-dimensional (2D/3D) hybrid materials have the potential to advance communication and sensing technologies by enabling new or improved device functionality. To date, most 2D/3D hybrid devices utilize mechanical exfoliation or post-synthesis transfer, which can be fundamentally different from directly synthesized layers that are compatible with large scale industrial needs. Therefore, understanding the process/property relationship of synthetic heterostructures is priority for industrially relevant material architectures. Here we demonstrate the scalable synthesis of molybdenum disulfide (MoS 2 ) and tungsten diselenide (WSe 2 ) via metal organic chemical vapor deposition (MOCVD) on gallium nitride (GaN), and elucidate the structure, chemistry, and vertical transport properties of the 2D/3D hybrid. We find that the 2D layer thickness and transition metal dichalcogenide (TMD) choice plays an important role in the transport properties of the hybrid structure, where monolayer TMDs exhibit direct tunneling through the layer, while transport in few layer TMDs on GaN is dominated by p-n diode behavior and varies with the 2D/3D hybrid structure. Kelvin probe force microscopy (KPFM), low energy electron microscopy (LEEM) and X-ray photoelectron spectroscopy (XPS) reveal a strong intrinsic dipole and charge transfer between n-MoS 2 and p-GaN, leading to a degraded interface and high p-type leakage current. Finally, we demonstrate integration of heterogeneous 2D layer stacks of MoS 2 /WSe 2 on GaN with atomically sharp interface. Monolayer MoS 2 /WSe 2 /n-GaN stacks lead to near Ohmic transport due to the tunneling and non-degenerated doping, while few layer stacking is Schottky barrier dominated.

  17. Phase stability and electronic structure of transition-metal aluminides

    International Nuclear Information System (INIS)

    Carlsson, A.E.

    1992-01-01

    This paper will describe the interplay between die electronic structure and structural energetics in simple, complex, and quasicrystalline Al-transition metal (T) intermetallics. The first example is the Ll 2 -DO 22 competition in Al 3 T compounds. Ab-initio electronic total-energy calculations reveal surprisingly large structural-energy differences, and show that the phase stability of both stoichiometric and ternary-substituted compounds correlates closely with a quasigap in the electronic density of states (DOS). Secondly, ab-initio calculations for the structural stability of the icosahedrally based Al 12 W structure reveal similar quasigap effects, and provide a simple physical explanation for the stability of the complex aluminide structures. Finally, parametrized tight-binding model calculations for the Al-Mn quasicrystal reveal a large spread in the local Mn DOS behavior, and support a two-site model for the quasicrystal's magnetic behavior

  18. Scale modeling of reinforced concrete structures subjected to seismic loading

    International Nuclear Information System (INIS)

    Dove, R.C.

    1983-01-01

    Reinforced concrete, Category I structures are so large that the possibility of seismicly testing the prototype structures under controlled conditions is essentially nonexistent. However, experimental data, from which important structural properties can be determined and existing and new methods of seismic analysis benchmarked, are badly needed. As a result, seismic experiments on scaled models are of considerable interest. In this paper, the scaling laws are developed in some detail so that assumptions and choices based on judgement can be clearly recognized and their effects discussed. The scaling laws developed are then used to design a reinforced concrete model of a Category I structure. Finally, how scaling is effected by various types of damping (viscous, structural, and Coulomb) is discussed

  19. Large Scale Testing of Drystone Retaining Structures

    OpenAIRE

    Mundell, Chris

    2009-01-01

    Drystone walls have been used extensively around the world as earth retaining structures wherever suitable stone is found. Commonly about 0.6m thick (irrespective of height), there are about 9000km of drystone retaining walls on the UK road network alone, mostly built in the 19th and early 20th centuries, with an estimated replacement value in excess of £1 billion[1]. Drystone wall design is traditionally empirical, based on local knowledge of what has worked in the past. Methods vary from re...

  20. Ionic structure of solutions of alkali metals and molten salts

    International Nuclear Information System (INIS)

    Chabrier, G.; Senatore, G.; Tosi, M.P.

    1982-02-01

    Neutron diffraction patterns from K-KCl and Rb-RbBr liquid solutions at various compositions are examined in an ionic-mixture model which neglects screening and aggregation due to the metallic electrons. The main feature of the observed diffraction patterns for wave number k above roughly 1A -1 are accounted for by the model. The approach to the metal-rich end of the phase diagram is analyzed in detail from different viewpoints in the K-KCl system. Short-range correlations of the potassium ions are described in this region by a metallic radius deduced from properties of the pure liquid metal, but a simple expanded-metal model must be supplemented by the assumption that considerable disorder is introduced in its structure by the halogen ions. Features of short-range ordering in the salt-rich region that are implied by a shoulder on the high-k side of the main peak in the diffraction pattern are also commented upon. (author)

  1. Multi-scale structural similarity index for motion detection

    Directory of Open Access Journals (Sweden)

    M. Abdel-Salam Nasr

    2017-07-01

    Full Text Available The most recent approach for measuring the image quality is the structural similarity index (SSI. This paper presents a novel algorithm based on the multi-scale structural similarity index for motion detection (MS-SSIM in videos. The MS-SSIM approach is based on modeling of image luminance, contrast and structure at multiple scales. The MS-SSIM has resulted in much better performance than the single scale SSI approach but at the cost of relatively lower processing speed. The major advantages of the presented algorithm are both: the higher detection accuracy and the quasi real-time processing speed.

  2. Phytophthora infestans population structure: A worldwide scale

    International Nuclear Information System (INIS)

    Cardenas, Martha; Danies, Giovanna; Tabima, Javier; Bernal, Adriana; Restrepo, Silvia

    2012-01-01

    Phytophthora infestans, the causal agent of late blight disease in potato and other members of the Solanaceae family, is responsible for causing the Irish potato famine and, even today, it causes enormous economic losses all over the world. For the establishment of an adequate pest management strategy, the determination of the pathogen's population structure is required. To characterize P. infestans populations worldwide two allozymes, Gpi (Glucose-6-phospate isomerase) and Pep (Pep tidase), the RG57 DNA RFLP fingerprinting probe, as well as resistance to the fungicide metalaxyl and mating type, have been used as markers. P. infestans populations in Mexico have been one of the main focuses of research in the population biology of this pathogen because this country has been considered as one of the possible centers of origin of this oomycete. In this review we present the population structure of P. infestans in Mexico, Europe, Africa, Asia, North America, and South America, expanding it on the present situation of P. infestans in Colombia. Finally, we will discuss different lines of research that are being carried out today with respect to P. infestans in Colombia, which have shown the importance of continuing the study of this devastating plant pathogen in our country.

  3. Phytophthora infestans population structure: a worldwide scale

    Directory of Open Access Journals (Sweden)

    Martha Cárdenas Toquica

    2012-05-01

    Full Text Available Phytophthora infestans, the causal agent of late blight disease in potato and other members of the Solanaceae family, is responsible for causing the Irish potato famine and, even today, it causes enormous economic losses all over the world. For the establishment of an adequate pest management strategy, the determination of population structure is required. To characterize P. infestans populations worldwide two allozymes, Gpi (Glucose-6-phospate isomerase and Pep (Peptidase, the RG57 DNA RFLP fingerprinting probe, as well as resistance to the fungicide metalaxyl and the mating type, have been used as markers. P. infestans populations in Mexico have been one of the main focuses of research in the population biology of this pathogen because this country has been considered as one of the possible centers of origin of this oomycete. In this review we present the population structure of P. infestans in Mexico, Europe, Africa, Asia, North America, and South America expanding on the present situation of P. infestans in Colombia. Finally, we will discuss different lines of research that are being carried out today with respect to P. infestans in Colombia, which have shown the importance of continuing the study of this devastating plant pathogen in our country.

  4. Scaling of compression strength in disordered solids: metallic foams

    Directory of Open Access Journals (Sweden)

    J. Kováčik

    2016-03-01

    Full Text Available The scaling of compression strength with porosity for aluminium foams was investigated. The Al 99.96, AlMg1Si0.6 and AlSi11Mg0.6 foams of various porosity, sample size with and without surface skin were tested in compression. It was observed that the compression strength of aluminium foams scales near the percolation threshold with Tf ≈ 1.9 - 2.0 almost independently on the matrix alloy, sample size and presence of surface skin. The difference of the obtained values of Tf to the theoretical estimate of Tf = 2.64 ± 0.3 by Arbabi and Sahimi and to Ashby estimate of 1.5 was explained using an analogy with the Daoud and Coniglio approach to the scaling of the free energy of sol-gel transition. It leads to the finding that, there are two different universality classes for the critical exponent Tf: when the stretching forces dominate Tf = f = 2.1, respectively when bending forces prevail Tf = .d = 2.64 seems to be valid. Another possibility is the validity of relation Tf ≤ f which varies only according to the universality class of modulus of elasticity in foam.

  5. Sustainability of Metal Structures via Spray-Clad Remanufacturing

    Science.gov (United States)

    Smith, Gregory M.; Sampath, Sanjay

    2018-04-01

    Structural reclamation and remanufacturing is an important future design consideration to allow sustainable recovery of degraded structural metals. Heavy machinery and infrastructure components subjected to extended use and/or environment induced degradation require costly and time-consuming replacement. If these parts can be remanufactured to original tolerances, and returned to service with "as good or better" performance, significant reductions in materials, cost, and environmental impact can be achieved. Localized additive restoration via thermal or cold spray methods is a promising approach in recovering and restoring original design strength of degraded metals. The advent of high velocity spray deposition technologies has allowed deposition of near full density materials. In this review, the fundamental scientific and technological elements of such local additive restoration is contemplated including materials, processes, and methodologies to assess the capabilities of such remanufactured systems. This points to sustainable material reclamation, as well as a route toward resource and process sustainability.

  6. Structural models for amorphous transition metal binary alloys

    International Nuclear Information System (INIS)

    Ching, W.Y.; Lin, C.C.

    1976-01-01

    A dense random packing of 445 hard spheres with two different diameters in a concentration ratio of 3 : 1 was hand-built to simulate the structure of amorphous transition metal-metalloid alloys. By introducing appropriate pair potentials of the Lennard-Jones type, the structure is dynamically relaxed by minimizing the total energy. The radial distribution functions (RDF) for amorphous Fe 0 . 75 P 0 . 25 , Ni 0 . 75 P 0 . 25 , Co 0 . 75 P 0 . 25 are obtained and compared with the experimental data. The calculated RDF's are resolved into their partial components. The results indicate that such dynamically constructed models are capable of accounting for some subtle features in the RDF of amorphous transition metal-metalloid alloys

  7. Synthesis, Structure, and Properties of Refractory Hard-Metal Borides

    Science.gov (United States)

    Lech, Andrew Thomas

    As the limits of what can be achieved with conventional hard compounds, such as tungsten carbide, are nearing reach, super-hard materials are an area of increasing industrial interest. The refractory hard metal borides, such as ReB2 and WB4, offer an increasingly attractive alternative to diamond and cubic boron nitride as a next-generation tool material. In this Thesis, a thorough discussion is made of the progress achieved by our laboratory towards understanding the synthesis, structure, and properties of these extremely hard compounds. Particular emphasis is placed on structural manipulation, solid solution formation, and the unique crystallographic manifestations of what might also be called "super-hard metals".

  8. Thermo-plastic finite element analysis for metal honeycomb structure

    Directory of Open Access Journals (Sweden)

    Ji Zhanling

    2013-01-01

    Full Text Available This paper deals with thermal-plastic analysis for the metal honeycomb structure. The heat transfer equation and thermal elastoplastic constitutive equation of a multilayer panel are established and studied numerically using ANSYS software. The paper elucidates that only the outer skin produces easily plastic deformation, and the outer skin still exists some residual stress and residual deformation after cooling. The dynamic evolution of plastic deformation and material performance degradation under high energy thermal load are revealed.

  9. Structured ecosystem-scale approach to marine water quality management

    CSIR Research Space (South Africa)

    Taljaard, Susan

    2006-10-01

    Full Text Available and implement environmental management programmes. A structured ecosystem-scale approach for the design and implementation of marine water quality management programmes developed by the CSIR (South Africa) in response to recent advances in policies...

  10. Validity and factor structure of the bodybuilding dependence scale

    OpenAIRE

    Smith, D; Hale, B

    2004-01-01

    Objectives: To investigate the factor structure, validity, and reliability of the bodybuilding dependence scale and to investigate differences in bodybuilding dependence between men and women and competitive and non-competitive bodybuilders.

  11. Layered Metal Hydroxides Containing Calcium and Their Structural Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Tae Hyun; Heo, Il; Lee, Sung Han; Oh, Jae Min [College of Science and Technology, Yonsei University, Wonju (Korea, Republic of); Paek, Seung Min [Kyungpook National University, Daegu (Korea, Republic of); Park, Chung Berm; Choi, Ae Jin [National Institute of Horticultural and Herbal Science of R and D Eumseong (Korea, Republic of); Choy, Jin Ho [Ewha Womans University, Seoul (Korea, Republic of)

    2012-06-15

    Layered metal hydroxides (LMHs) containing calcium were synthesized by coprecipitation in solution having two different trivalent metal ions, iron and aluminum. Two mixed metal solutions (Ca{sup 2+}/Al{sup 3+} and Ca{sup 2+}/Fe{sup 3+} = 2/1) were added to sodium hydroxide solution and the final pH was adjusted to {approx}11.5 and {approx}13 for CaAl-and CaFe-LMHs. Powder X-ray diffraction (XRD) for the two LMH samples showed well developed (00l) diffractions indicating 2-dimensional crystal structure of the synthesized LMHs. Rietveld refinement of the X-ray diffraction pattern, the local structure analysis through X-ray absorption spectroscopy, and thermal analysis also confirmed that the synthesized precipitates show typical structure of LMHs. The chemical formulae, Ca{sub 2.04}Al{sub 1}(OH){sub 6}(NO{sub 3}){center_dot}5.25H{sub 2}O and Ca{sub 2.01}Fe{sub 1}(OH){sub 6}(NO{sub 3}){center_dot}4.75H{sub 2}O were determined by inductively coupled plasma-atomic emission spectroscopy (ICP-AES). Particle morphology and thermal behavior for the synthesized LMHs were examined by field emission scanning electron microscopy and thermogravimetric differential scanning calorimetry

  12. SELECTION OF SCALE OF PICTURE OF STRUCTURE FOR ITS MULTIFRACTAL ANALYSIS

    Directory of Open Access Journals (Sweden)

    VOLCHUK V. N.

    2015-11-01

    Full Text Available Problem statement. Each scale level detectesthe new features of the structure of the material describing of it quality. For example, features of the grain structure are revealed in different kind of steel on microstruc ture level, and its parameters greatly influences on the strength properties of the metal. Thus, to select the scale of representation of a fractal object, for instance the elements of structure of roll iron or steel is necessary to determine the interval (1, where observed its self-similarity, and on this interval should be selected the scale, the use of which will allow him to choose adequate fractal dimension. For optimal scale structure of repose is taken one in which at least two adjacent points of the series (2, the fractal dimension is minimal differences between them. This is explained by the fact that this is best observed property of self-similarity structure. An example of the selection of the scale representation of the structure of cast iron rolls execution of SPHN (a and execution SSHN (b is shown on interval of increases in the range of x 100 to x1000 with a predetermined pitch Δl = 100. The implementation of this phase of research allowed to determine experimentally the optimal scale of representation of structure of iron roll with increasing x 200 for multifractal analysis of its elements: inclusion of the plate and nodular graphit, carbides. Purpose To determine the optimal scale structure representation for iron roll multifractal analysis of its elements: inclusion of the plate and nodular carbides. Conclusion. It was found that the fractal dimension of the structural elements of the test ranged from experimental error 5÷7%, which testifies to the universality of this assessment, and therefore reliability and economic benefits, in terms of the equipping of laboratories expensive metallurgical microscopes with higher resolution.

  13. Factor Structure of Child Behavior Scale Scores in Peruvian Preschoolers

    Science.gov (United States)

    Meyer, Erin L.; Schaefer, Barbara A.; Soto, Cesar Merino; Simmons, Crystal S.; Anguiano, Rebecca; Brett, Jeremy; Holman, Alea; Martin, Justin F.; Hata, Heidi K.; Roberts, Kimberly J.; Mello, Zena R.; Worrell, Frank C.

    2011-01-01

    Behavior rating scales aid in the identification of problem behaviors, as well as the development of interventions to reduce such behavior. Although scores on many behavior rating scales have been validated in the United States, there have been few such studies in other cultural contexts. In this study, the structural validity of scores on a…

  14. Multiscale properties of DNA primary structure: cross-scale correlations

    International Nuclear Information System (INIS)

    Altajskij, M.V.; Ivanov, V.V.; Polozov, R.V.

    2000-01-01

    Cross-scale correlations of wavelet coefficients of the DNA coding sequences are calculated and compared to that of the generated random sequence of the same length. The coding sequences are shown to have strong correlation between large and small scale structures, while random sequences have not

  15. Ionothermal synthesis and crystal structures of metal phosphate chains

    International Nuclear Information System (INIS)

    Wragg, David S.; Le Ouay, Benjamin; Beale, Andrew M.; O'Brien, Matthew G.; Slawin, Alexandra M.Z.; Warren, John E.; Prior, Timothy J.; Morris, Russell E.

    2010-01-01

    We have prepared isostructural aluminium and gallium phosphate chains by ionothermal reactions in 1-ethyl-3-methylimidazolium bromide and 1-ethylpyridinium bromide under a variety of conditions. The chains can be prepared as pure phases or along with three dimensional framework phases. The chains are favoured at shorter heating times and the crystallinity can be improved by addition of transition metal acetates and amines which are not included in the final structure. The chain can be prepared with or without the presence of hydrofluoric acid. - Graphical abstract: Chain structures prepared from ionic liquid solvents under a wide variety of synthesis conditions.

  16. Innovative cellular distance structures from polymeric and metallic threads

    Science.gov (United States)

    Wieczorek, F.; Trümper, W.; Cherif, C.

    2017-10-01

    Knitting allows a high individual adaptability of the geometry and properties of flat-knitted spacer fabrics. This offers advantages for the specific adjustment of the mechanical properties of innovative composites based on highly viscous matrix systems such as bone cement, elastomer or foam and cellular reinforcing structures made from e. g. polymeric monofilaments or metallic wires. The prerequisite is the availability of binding solutions for highly productive production of functional, cellular, self-stabilized spacer flat knitted fabrics as supporting and functionalized structures.

  17. Interfacial transport phenomena and stability in liquid-metal/water systems: scaling considerations

    International Nuclear Information System (INIS)

    Abdulla, S.; Liu, X.; Anderson, M.; Bonazza, R.; Corradini, M.; Cho, D.

    2001-01-01

    One concept being considered for steam generation in innovative nuclear reactor applications, involves water coming into direct contact with a circulating molten metal. The vigorous agitation of the two fluids, the direct liquid-liquid contact and the consequent large interfacial area give rise to very high heat transfer coefficients and rapid steam generation. For an optimum design of such direct contact heat exchange and vaporization systems, detailed knowledge is necessary of the various flow regimes, interfacial transport phenomena, heat transfer and operational stability. In this paper we describe current results from the first year of this research that studies the transport phenomena involved with the injection of water into molten metals (e.g., lead alloys). In particular, this work discusses scaling considerations related to direct contact heat exchange, our experimental plans for investigation and a test plan for the important experimental parameters; i.e., the water and liquid metal mass flow rates, the liquid metal pool temperature and the ambient pressure of the direct contact heat exchanger. Past experimental work and initial scaling results suggest that our experiments can directly represent the proper liquid metal pool temperature and the water subcooling. The experimental variation in water and liquid metal flow rates and system pressure (1-10 bar), although smaller than the current conceptual system designs, is sufficient to verify the expected scale effects to demonstrate the phenomena. (authors)

  18. Targeted Structural Optimization with Additive Manufacturing of Metals

    Science.gov (United States)

    Burt, Adam; Hull, Patrick

    2015-01-01

    The recent advances in additive manufacturing (AM) of metals have now improved the state-of-the-art such that traditionally non-producible parts can be readily produced in a cost-effective way. Because of these advances in manufacturing technology, structural optimization techniques are well positioned to supplement and advance this new technology. The goal of this project is to develop a structural design, analysis, and optimization framework combined with AM to significantly light-weight the interior of metallic structures while maintaining the selected structural properties of the original solid. This is a new state-of-the-art capability to significantly reduce mass, while maintaining the structural integrity of the original design, something that can only be done with AM. In addition, this framework will couple the design, analysis, and fabrication process, meaning that what has been designed directly represents the produced part, thus closing the loop on the design cycle and removing human iteration between design and fabrication. This fundamental concept has applications from light-weighting launch vehicle components to in situ resource fabrication.

  19. Structures and Stability of Metal Amidoboranes (MAB): Density Functional Calculations

    International Nuclear Information System (INIS)

    Li Cailin; Wu Chaoling; Chen Yungui; Zhou Jingjing; Zheng Xin; Pang Lijuan; Deng Gang

    2010-01-01

    Molecule geometry structures, frequencies, and energetic stabilities of ammonia borane (AB, NH 3 BH 3 ) and metal amidoboranes (MAB, MNH 2 BH 3 ), formed by substituting H atom in AB with one of main group metal atoms, have been investigated by density-functional theory and optimized at the B3LYP levels with 6-311G++ (3df, 3pd) basic set. Their structural parameters and infrared spectrum characteristic peaks have been predicted, which should be the criterion of a successfully synthesized material. Several parameters such as binding energies, vibrational frequencies, and the energy gaps between the HOMO and the LUMO have been adopted to characterize and evaluate their structure stabilities. It is also found that the binding energies and HOMO-LUMO energy gaps of the MAB obviously change with the substitution of the atoms. MgAB has the lowest binding energy and is easier to decompose than any other substitutional structures under same conditions, while CaAB has the highest chemical activity. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  20. Using scaling relations to understand trends in the catalytic activity of transition metals

    International Nuclear Information System (INIS)

    Jones, G; Bligaard, T; Abild-Pedersen, F; Noerskov, J K

    2008-01-01

    A method is developed to estimate the potential energy diagram for a full catalytic reaction for a range of late transition metals on the basis of a calculation (or an experimental determination) for a single metal. The method, which employs scaling relations between adsorption energies, is illustrated by calculating the potential energy diagram for the methanation reaction and ammonia synthesis for 11 different metals on the basis of results calculated for Ru. It is also shown that considering the free energy diagram for the reactions, under typical industrial conditions, provides additional insight into reactivity trends

  1. Thermal fluid-structure interaction - a few scaling considerations

    International Nuclear Information System (INIS)

    Dimitrov, B.; Schwan, H.

    1984-01-01

    Scaling laws for modeling of nuclear reactor systems primarily consider relations between thermalhydraulic parameters in the control volumes for the model and the prototype. Usually the influence of structural heat is neglected. This report describes, how scaling criteria are improved by parameters concerning structural heat, because during thermal transients there is a strong coupling between the thermalhydraulic system and the surrounding structures. Volumetric scaling laws are applied to a straight pipe of the primary loop of a pressurized water reactor (PWR). For the prototype pipe data of a KWU standard PWR with four loops are chosen. Theoretical studies and RELAP 5/MOD 1 calculations regarding the influence of structural heat on thermalhydraulic response of the fluid are performed. Recommendations are given for minimization of distortions due to influence of structural heat between model and prototype. (orig.) [de

  2. Performance evaluation of pilot scale sulfur-oxidizing denitrification for treatment of metal plating wastewater.

    Science.gov (United States)

    Flores, Angel S P; Gwon, Eun-Mi; Sim, Dong-Min; Nisola, Grace; Galera, Melvin M; Chon, Seung-Se; Chung, Wook-Jin; Pak, Dae-Won; Ahn, Zou Sam

    2006-01-01

    A full-scale and two pilot-scale upflow sulfur-oxidizing denitrification (SOD) columns were evaluated using metal plating wastewater as feed. The sludge was autotrophically enriched, and inoculated in the SOD columns attached to the effluent line of three metal plating wastewater treatment facilities. The effects of activated carbon and aeration were also studied, and found effective for the removal of suspended solids and ammonia, respectively. The results showed that the constituents, such as the total nitrogen, nitrates, nitrites, ammonia, chemical oxygen demand (COD), and heavy metals, were effectively removed. The pH was observed to be maintained at 7-8 due to the alkalinity supplied by the sulfur-calcium carbonate (SC) pellet. The denitrification efficiency and start-up period were observed to be affected by the influent quality. Chromium, iron, nickel, copper, and zinc--the major heavy metal components of the influent--were effectively reduced at certain concentrations. Other metal ions were also detected and reduced to undetectable concentrations, but no trends in the comparison with denitrification were observed. From the results it can be concluded that SOD is effective for the removal of nitrogen, particularly nitrates, without a drastic pH change, and can effectively remove minute concentrations of heavy metals and COD in metal plating wastewaters.

  3. International conference on design, fabrication and economy of metal structures

    CERN Document Server

    Farkas, József

    2013-01-01

    These are the proceedings of the International Conference on Design, Fabrication and Economy of Metal Structures held on 24-26 April 2013 in Miskolc, Hungary which contain 99 papers covering: Structural optimization Thin-walled structures Stability Fatigue Frames Fire Fabrication Welding technology Applications Steel-concrete composite Special problems The authors are from 23 different countries, ensuring that the themes covered are of worldwide interest and importance. The International Institute of Welding (IIW), the International Society of Structural and Multidisciplinary Optimization (ISSMO), the TÁMOP 4.2.1.B-10/2/KONV-2010-0001 project entitled “Increasing the quality of higher education through the development of research - development and innovation program at the University of Miskolc supported by the European Union, co-financed by the European Social Fund” and many other sponsors helped organizers to collect these valuable studies, the results of which will provoke discussion, and provide an i...

  4. Interactions of structural defects with metallic impurities in multicrystalline silicon

    International Nuclear Information System (INIS)

    McHugo, S.A.; Thompson, A.C.; Hieslmair, H.

    1997-01-01

    Multicrystalline silicon is one of the most promising materials for terrestrial solar cells. It is critical to getter impurities from the material as well as inhibit contamination during growth and processing. Standard processing steps such as, phosphorus in-diffusion for p-n junction formation and aluminum sintering for backside ohmic contact fabrication, intrinsically possess gettering capabilities. These processes have been shown to improve L n values in regions of multicrystalline silicon with low structural defect densities but not in highly dislocated regions. Recent Deep Level Transient Spectroscopy (DLTS) results indirectly reveal higher concentrations of iron in highly dislocated regions while further work suggests that the release of impurities from structural defects, such as dislocations, is the rate limiting step for gettering in multicrystalline silicon. The work presented here directly demonstrates the relationship between metal impurities, structural defects and solar cell performance in multicrystalline silicon. Edge-defined Film-fed Growth (EFG) multicrystalline silicon in the as-grown state and after full solar cell processing was used in this study. Standard solar cell processing steps were carried out at ASE Americas Inc. Metal impurity concentrations and distributions were determined by use of the x-ray fluorescence microprobe (beamline 10.3.1) at the Advanced Light Source, Lawrence Berkeley National Laboratory. The sample was at atmosphere so only elements with Z greater than silicon could be detected, which includes all metal impurities of interest. Structural defect densities were determined by preferential etching and surface analysis using a Scanning Electron Microscope (SEM) in secondary electron mode. Mapped areas were exactly relocated between the XRF and SEM to allow for direct comparison of impurity and structural defect distributions

  5. Physics design of experimental metal fuelled fast reactor cores for full scale demonstration

    International Nuclear Information System (INIS)

    Devan, K.; Bachchan, Abhitab; Riyas, A.; Sathiyasheela, T.; Mohanakrishnan, P.; Chetal, S.C.

    2011-01-01

    Highlights: → In this study we made physics designs of experimental metal fast reactor cores. → Aim is for full-scale demonstration of fuel assemblies in a commercial power reactor. → Minimum power with adequate safety is considered. → In addition, fuel sustainability is also considered in the design. → Sodium bonded U-Pu-6%Zr and mechanically bonded U-Pu alloys are used. - Abstract: Fast breeder reactors based on metal fuel are planned to be in operation for the year beyond 2025 to meet the growing energy demand in India. A road map is laid towards the development of technologies required for launching 1000 MWe commercial metal breeder reactors with closed fuel cycle. Construction of a test reactor with metallic fuel is also envisaged to provide full-scale testing of fuel sub-assemblies planned for a commercial power reactor. Physics design studies have been carried out to arrive at a core configuration for this experimental facility. The aim of this study is to find out minimum power of the core to meet the requirements of safety as well as full-scale demonstration. In addition, fuel sustainability is also a consideration in the design. Two types of metallic fuel pins, viz. a sodium bonded ternary (U-Pu-6% Zr) alloy and a mechanically bonded binary (U-Pu) alloy with 125 μm thickness zirconium liner, are considered for this study. Using the European fast reactor neutronics code system, ERANOS 2.1, four metallic fast reactor cores are optimized and estimated their important steady state parameters. The ABBN-93 system is also used for estimating the important safety parameters. Minimum achievable power from the converter metallic core is 220 MWt. A 320 MWt self-sustaining breeder metal core is recommended for the test facility.

  6. Effects of sulfate on heavy metal release from iron corrosion scales in drinking water distribution system.

    Science.gov (United States)

    Sun, Huifang; Shi, Baoyou; Yang, Fan; Wang, Dongsheng

    2017-05-01

    Trace heavy metals accumulated in iron corrosion scales within a drinking water distribution system (DWDS) could potentially be released to bulk water and consequently deteriorate the tap water quality. The objective of this study was to identify and evaluate the release of trace heavy metals in DWDS under changing source water conditions. Experimental pipe loops with different iron corrosion scales were set up to simulate the actual DWDS. The effects of sulfate levels on heavy metal release were systemically investigated. Heavy metal releases of Mn, Ni, Cu, Pb, Cr and As could be rapidly triggered by sulfate addition but the releases slowly decreased over time. Heavy metal release was more severe in pipes transporting groundwater (GW) than in pipes transporting surface water (SW). There were strong positive correlations (R 2  > 0.8) between the releases of Fe and Mn, Fe and Ni, Fe and Cu, and Fe and Pb. When switching to higher sulfate water, iron corrosion scales in all pipe loops tended to be more stable (especially in pipes transporting GW), with a larger proportion of stable constituents (mainly Fe 3 O 4 ) and fewer unstable compounds (β-FeOOH, γ-FeOOH, FeCO 3 and amorphous iron oxides). The main functional iron reducing bacteria (IRB) communities were favorable for the formation of Fe 3 O 4 . The transformation of corrosion scales and the growth of sulfate reducing bacteria (SRB) accounted for the gradually reduced heavy metal release with time. The higher metal release in pipes transporting GW could be due to increased Fe 6 (OH) 12 CO 3 content under higher sulfate concentrations. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Evolving Structural Diversity and Metallicity in Compressed Lithium Azide

    KAUST Repository

    Prasad, Dasari L. V. K.

    2013-10-10

    In pursuit of new stable nitrogen-rich phases and of a possible insulator-metal transition, the ground-state electronic structure of lithium azide, LiN3, is investigated from 1 atm to 300 GPa (∼2-fold compression) using evolutionary crystal structure exploration methods coupled with density functional theoretical calculations. Two new LiN3 phases, containing slightly reduced and well-separated N2 units, are found to be enthalpically competitive with the known lithium azide crystal structure at 1 atm. At pressures above 36 GPa nitrogen-rich assemblies begin to evolve. These incorporate NN bond formation beyond that in N2 or N3 -. N6 rings and infinite one-dimensional linear nitrogen chains (structural analogues to polyacetylene) appear. Above 200 GPa quasi-one- and two-dimensional extended puckered hexagonal and decagonal nitrogen layers emerge. The high-pressure phase featuring linear chains may be quenchable to P = 1 atm. With increasing pressure the progression in electrical conductivity is from insulator to metal. © 2013 American Chemical Society.

  8. A Multi-Scale Study on the Role of Trace Metals on Physiological and Pathological Mineralization

    Science.gov (United States)

    Rammelkamp, Derek

    The work in this thesis provides mulit-scale contributions towards understanding the effects of trace metals on the pathological mineralization process relating to both the development of healthy bone tissue, the diseased state of osteoporosis, and microcalcifications which develop in breast cancers. A protein level study was performed on ECM protein fibronectin, which plays a role in cell adhesion. The protein studies showed zinc interactions with fibronectin and its fragment, anastellin, to influence protein structure. Zinc is also shown to decrease cell migration in vitro, which may be influenced by changes in fibronectin ECM structure. The effects of osteoporosis on micronutrient composition in vivo were examined using the technique of x-ray fluorescence (XRF) in an ovariectomized rat model. Compared to healthy bone, subtle difference are observed in zinc and iron in osteoporotic rat bones, showing micronutrients may play an important role in healthy bone regulation. Effects of micronutrient zinc was used to inhibit microcalcification formation in breast cancers. Microcalcifications have been linked malignancy of breast cancers, but the process of microcalcification formation has yet to be well understood. In this work, exogenous zinc is used to inhibit microcalcification formation, and metastatic potential in both a 2D and 3D spheroid environment. A novel in vitro self-assembled three dimensional multi-cellular tumor spheroid (MCTS) model for the study of breast cancer microcalcifications was developed for this experiment. A MCTS model for studying breast cancer microcalcifications has potential to be used in drug discovery, or for basic research applications studying mechanisms of microcalcification formation, which are still not fully understood. Taken together this study uses a multi-scale approach to gain a better understanding of micronutrients involved in pathological mineralization.

  9. Aerosol based direct-write micro-additive fabrication method for sub-mm 3D metal-dielectric structures

    Science.gov (United States)

    Rahman, Taibur; Renaud, Luke; Heo, Deuk; Renn, Michael; Panat, Rahul

    2015-10-01

    The fabrication of 3D metal-dielectric structures at sub-mm length scale is highly important in order to realize low-loss passives and GHz wavelength antennas with applications in wearable and Internet-of-Things (IoT) devices. The inherent 2D nature of lithographic processes severely limits the available manufacturing routes to fabricate 3D structures. Further, the lithographic processes are subtractive and require the use of environmentally harmful chemicals. In this letter, we demonstrate an additive manufacturing method to fabricate 3D metal-dielectric structures at sub-mm length scale. A UV curable dielectric is dispensed from an Aerosol Jet system at 10-100 µm length scale and instantaneously cured to build complex 3D shapes at a length scale  <1 mm. A metal nanoparticle ink is then dispensed over the 3D dielectric using a combination of jetting action and tilted dispense head, also using the Aerosol Jet technique and at a length scale 10-100 µm, followed by the nanoparticle sintering. Simulation studies are carried out to demonstrate the feasibility of using such structures as mm-wave antennas. The manufacturing method described in this letter opens up the possibility of fabricating an entirely new class of custom-shaped 3D structures at a sub-mm length scale with potential applications in 3D antennas and passives.

  10. Aerosol based direct-write micro-additive fabrication method for sub-mm 3D metal-dielectric structures

    International Nuclear Information System (INIS)

    Rahman, Taibur; Panat, Rahul; Renaud, Luke; Heo, Deuk; Renn, Michael

    2015-01-01

    The fabrication of 3D metal-dielectric structures at sub-mm length scale is highly important in order to realize low-loss passives and GHz wavelength antennas with applications in wearable and Internet-of-Things (IoT) devices. The inherent 2D nature of lithographic processes severely limits the available manufacturing routes to fabricate 3D structures. Further, the lithographic processes are subtractive and require the use of environmentally harmful chemicals. In this letter, we demonstrate an additive manufacturing method to fabricate 3D metal-dielectric structures at sub-mm length scale. A UV curable dielectric is dispensed from an Aerosol Jet system at 10–100 µm length scale and instantaneously cured to build complex 3D shapes at a length scale  <1 mm. A metal nanoparticle ink is then dispensed over the 3D dielectric using a combination of jetting action and tilted dispense head, also using the Aerosol Jet technique and at a length scale 10–100 µm, followed by the nanoparticle sintering. Simulation studies are carried out to demonstrate the feasibility of using such structures as mm-wave antennas. The manufacturing method described in this letter opens up the possibility of fabricating an entirely new class of custom-shaped 3D structures at a sub-mm length scale with potential applications in 3D antennas and passives. (technical note)

  11. Piezoelectric micromotor using a metal-ceramic composite structure.

    Science.gov (United States)

    Koc, B; Bouchilloux, P; Uchino, K

    2000-01-01

    This paper presents a new piezoelectric micromotor design, in which a uniformly electroded piezoelectric ring bonded to a metal ring is used as the stator. Four inward arms at the inner circumference of the metal ring transfer radial displacements into tangential displacements. The rotor ends in a truncated cone shape and touches the tips of the arms. A rotation takes place by exciting coupled modes of the stator element, such as a radial mode and a second bending mode of the arms. The behavior of the free stator was analyzed using the ATILA finite element software. Torque vs. speed relationship was measured from the transient speed change with a motor load. A starting torque of 17 microNm was obtained at 20 Vrms. The main features of this motor are low cost and easy assembly because of a simple structure and small number of components.

  12. Simulation of Cu-Mg metallic glass: Thermodynamics and structure

    International Nuclear Information System (INIS)

    Bailey, Nicholas P.; Schioetz, Jakob; Jacobsen, Karsten W.

    2004-01-01

    We have obtained effective medium theory interatomic potential parameters suitable for studying Cu-Mg metallic glasses. We present thermodynamic and structural results from simulations of such glasses over a range of compositions. We have produced low-temperature configurations by cooling from the melt at as slow a rate as practical, using constant temperature and pressure molecular dynamics. During the cooling process we have carried out thermodynamic analyses based on the temperature dependence of the enthalpy and its derivative, the specific heat, from which the glass transition temperature may be determined. We have also carried out structural analyses using the radial distribution function (RDF) and common neighbor analysis (CNA). Our analysis suggests that the splitting of the second peak, commonly associated with metallic glasses, in fact, has little to do with the glass transition itself, but is simply a consequence of the narrowing of peaks associated with structural features present in the liquid state. In fact, the splitting temperature for the Cu-Cu RDF is well above T g . The CNA also highlights a strong similarity between the structure of the intermetallic alloys and the amorphous alloys of similar composition. We have also investigated the diffusivity in the supercooled regime. Its temperature dependence indicates fragile-liquid behavior, typical of binary metallic glasses. On the other hand, the relatively low specific-heat jump of around 1.5k B /atom indicates apparent strong-liquid behavior, but this can be explained by the width of the transition due to the high cooling rates

  13. Large-Scale Structure and Hyperuniformity of Amorphous Ices

    Science.gov (United States)

    Martelli, Fausto; Torquato, Salvatore; Giovambattista, Nicolas; Car, Roberto

    2017-09-01

    We investigate the large-scale structure of amorphous ices and transitions between their different forms by quantifying their large-scale density fluctuations. Specifically, we simulate the isothermal compression of low-density amorphous ice (LDA) and hexagonal ice to produce high-density amorphous ice (HDA). Both HDA and LDA are nearly hyperuniform; i.e., they are characterized by an anomalous suppression of large-scale density fluctuations. By contrast, in correspondence with the nonequilibrium phase transitions to HDA, the presence of structural heterogeneities strongly suppresses the hyperuniformity and the system becomes hyposurficial (devoid of "surface-area fluctuations"). Our investigation challenges the largely accepted "frozen-liquid" picture, which views glasses as structurally arrested liquids. Beyond implications for water, our findings enrich our understanding of pressure-induced structural transformations in glasses.

  14. Some Statistics for Measuring Large-Scale Structure

    OpenAIRE

    Brandenberger, Robert H.; Kaplan, David M.; A, Stephen; Ramsey

    1993-01-01

    Good statistics for measuring large-scale structure in the Universe must be able to distinguish between different models of structure formation. In this paper, two and three dimensional ``counts in cell" statistics and a new ``discrete genus statistic" are applied to toy versions of several popular theories of structure formation: random phase cold dark matter model, cosmic string models, and global texture scenario. All three statistics appear quite promising in terms of differentiating betw...

  15. Graph-based linear scaling electronic structure theory

    Energy Technology Data Exchange (ETDEWEB)

    Niklasson, Anders M. N., E-mail: amn@lanl.gov; Negre, Christian F. A.; Cawkwell, Marc J.; Swart, Pieter J.; Germann, Timothy C.; Bock, Nicolas [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Mniszewski, Susan M.; Mohd-Yusof, Jamal; Wall, Michael E.; Djidjev, Hristo [Computer, Computational, and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Rubensson, Emanuel H. [Division of Scientific Computing, Department of Information Technology, Uppsala University, Box 337, SE-751 05 Uppsala (Sweden)

    2016-06-21

    We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including challenging systems such as biomolecules. The methodology combines well-controlled accuracy, low computational cost, and natural low-communication parallelism. This combination addresses substantial shortcomings of linear scaling electronic structure theory, in particular with respect to quantum-based molecular dynamics simulations.

  16. Scaling laws for dislocation microstructures in monotonic and cyclic deformation of fcc metals

    International Nuclear Information System (INIS)

    Kubin, L.P.; Sauzay, M.

    2011-01-01

    This work reviews and critically discusses the current understanding of two scaling laws, which are ubiquitous in the modeling of monotonic plastic deformation in face-centered cubic metals. A compilation of the available data allows extending the domain of application of these scaling laws to cyclic deformation. The strengthening relation tells that the flow stress is proportional to the square root of the average dislocation density, whereas the similitude relation assumes that the flow stress is inversely proportional to the characteristic wavelength of dislocation patterns. The strengthening relation arises from short-range reactions of non-coplanar segments and applies all through the first three stages of the monotonic stress vs. strain curves. The value of the proportionality coefficient is calculated and simulated in good agreement with the bulk of experimental measurements published since the beginning of the 1960's. The physical origin of what is called similitude is not understood and the related coefficient is not predictable. Its value is determined from a review of the experimental literature. The generalization of these scaling laws to cyclic deformation is carried out on the base of a large collection of experimental results on single and polycrystals of various materials and on different microstructures. Surprisingly, for persistent slip bands (PSBs), both the strengthening and similitude coefficients appear to be more than two times smaller than the corresponding monotonic values, whereas their ratio is the same as in monotonic deformation. The similitude relation is also checked in cell structures and in labyrinth structures. Under low cyclic stresses, the strengthening coefficient is found even lower than in PSBs. A tentative explanation is proposed for the differences observed between cyclic and monotonic deformation. Finally, the influence of cross-slip on the temperature dependence of the saturation stress of PSBs is discussed in some detail

  17. A novel fabrication method for surface integration of metal structures into polymers (SIMSIP)

    Science.gov (United States)

    Carrion-Gonzalez, Hector

    Recently developed flexible electronics applications require that the thin metal films embedded on elastomer substrates also be flexible. These electronic systems are radically different in terms of performance and functionality than conventional silicon-based devices. A key question is whether the metal deposited on flexible films can survive large strains without rupture. Cumbersome macro-fabrication methods have been developed for functional and bendable electronics (e.g., interconnects) encapsulated between layers of polymer films. However, future electronic applications may require electronic flexible devices to be in intimate contact with curved surfaces (e.g., retinal implants) and to be robust enough to withstand large and repeated mechanical deformations. In this research, a novel technique for surface integration of metal structures into polymers (SIMSIP) was developed. Surface embedding, as opposed to placing metal on polymers, provides better adherence while leaving the surface accessible for contacts. This was accomplished by first fabricating the micro-scale metal patterns on a quartz or Teflon mother substrate, and then embedding them to a flexible polyimide thin film. The technique was successfully used to embed micro-metal structures of gold (Au), silver (Ag), and copper (Cu) into polyimide films without affecting the functional properties of the either the metals or the polymers. Experimental results confirm the successful surface-embedding of metal structures as narrow as 0.6 microm wide for different geometries commonly used in circuit design. Although similar approaches exist in literature, the proposed methodology provides a simpler and more reliable way of producing flexible circuits/electronics that is also suitable for high volume manufacturing. In order to demonstrate the flexibility of metal interconnects fabricated using the SIMSIP technique, multiple Au electrodes (5 microm and 2.5 microm wide) were tested using the X-theta bending

  18. Immobilized metal-affinity chromatography protein-recovery screening is predictive of crystallographic structure success

    International Nuclear Information System (INIS)

    Choi, Ryan; Kelley, Angela; Leibly, David; Nakazawa Hewitt, Stephen; Napuli, Alberto; Van Voorhis, Wesley

    2011-01-01

    An overview of the methods used for high-throughput cloning and protein-expression screening of SSGCID hexahistidine recombinant proteins is provided. It is demonstrated that screening for recombinant proteins that are highly recoverable from immobilized metal-affinity chromatography improves the likelihood that a protein will produce a structure. The recombinant expression of soluble proteins in Escherichia coli continues to be a major bottleneck in structural genomics. The establishment of reliable protocols for the performance of small-scale expression and solubility testing is an essential component of structural genomic pipelines. The SSGCID Protein Production Group at the University of Washington (UW-PPG) has developed a high-throughput screening (HTS) protocol for the measurement of protein recovery from immobilized metal-affinity chromatography (IMAC) which predicts successful purification of hexahistidine-tagged proteins. The protocol is based on manual transfer of samples using multichannel pipettors and 96-well plates and does not depend on the use of robotic platforms. This protocol has been applied to evaluate the expression and solubility of more than 4000 proteins expressed in E. coli. The UW-PPG also screens large-scale preparations for recovery from IMAC prior to purification. Analysis of these results show that our low-cost non-automated approach is a reliable method for the HTS demands typical of large structural genomic projects. This paper provides a detailed description of these protocols and statistical analysis of the SSGCID screening results. The results demonstrate that screening for proteins that yield high recovery after IMAC, both after small-scale and large-scale expression, improves the selection of proteins that can be successfully purified and will yield a crystal structure

  19. Micro-scale metallization on flexible polyimide substrate by Cu electroplating using SU-8 photoresist mask

    International Nuclear Information System (INIS)

    Cho, S.H.; Kim, S.H.; Lee, N.-E.; Kim, H.M.; Nam, Y.W.

    2005-01-01

    Technologies for flexible electronics have been developed to make electronic or microelectromechanical (MEMS) devices on inexpensive and flexible organic substrates. In order to fabricate the interconnect lines between device elements or layers in flexible electronic devices, metallization on the flexible substrate is essential. In this case, the width and conductivity of metallization line are very important for minimizing the size of device. Therefore, the realization of metallization process with the scale of a few micrometers on the flexible substrate is required. In this work, micro-scale metallization lines of Cu were fabricated on the flexible substrate by electroplating using the patterned mask of a negative-tone SU-8 photoresist. Polyimide surface was treated by O 2 /Ar atmospheric plasma for the improvement in adhesion between Cr layer and polyimide and in situ sputter deposition of 100-nm-thick Cu seed layers on the sputter-deposited 50-nm-thick Cr adhesion layer was followed. SU-8 photoresist was spin-coated and patterned by photolithography. Electroplating of Cu line, removal of SU-8, and selective wet etch of Cr adhesion and Cu seed layers were carried out. Gap between the Cu lines was successfully filled by spin-coating of polyimide. Micro-scale Cu metal lines with gap filling on the polyimide substrate with a thickness of 6-12 μm and an aspect ratio of 1-3 were successfully fabricated

  20. Effects of lattice fluctuations on electronic transmission in metal/conjugated-oligomer/metal structures

    International Nuclear Information System (INIS)

    Yu, Z.G.; Smith, D.L.; Saxena, A.; Bishop, A.R.

    1997-01-01

    The electronic transmission across metal/conjugated-oligomer/metal structures in the presence of lattice fluctuations is studied for short oligomer chains. The lattice fluctuations are approximated by static white noise disorder. Resonant transmission occurs when the energy of an incoming electron coincides with a discrete electronic level of the oligomer. The corresponding transmission peak diminishes in intensity with increasing disorder strength. Because of disorder there is an enhancement of the electronic transmission for energies that lie within the electronic gap of the oligomer. If fluctuations are sufficiently strong, a transmission peak within the gap is found at the midgap energy E=0 for degenerate conjugated oligomers (e.g., trans-polyacetylene) and E≠0 for AB-type degenerate oligomers. These results can be interpreted in terms of soliton-antisoliton states created by lattice fluctuations. copyright 1997 The American Physical Society

  1. Current-voltage characteristics of the semiconductor nanowires under the metal-semiconductor-metal structure

    Science.gov (United States)

    Wen, Jing; Zhang, Xitian; Gao, Hong; Wang, Mingjiao

    2013-12-01

    We present a method to calculate the I-V characteristics of semiconductor nanowires under the metal-semiconductor-metal (MSM) structure. The carrier concentration as an important parameter is introduced into the expression of the current. The subband structure of the nanowire has been considered for associating it with the position of the Fermi level and circumventing the uncertainties of the contact areas in the contacts. The tunneling and thermionic emission currents in the two Schottky barriers at the two metal-semiconductor contacts are discussed. We find that the two barriers have different influences on the I-V characteristics of the MSM structure, one of which under the forward bias plays the role of threshold voltage if its barrier height is large and the applied voltage is small, and the other under the reverse bias controls the shapes of I-V curves. Our calculations show that the shapes of the I-V curves for the MSM structure are mainly determined by the barrier heights of the contacts and the carrier concentration. The nearly identical I-V characteristics can be obtained by using different values of the barrier heights and carrier concentration, which means that the contact type conversion can be ascribed not only to the changes of the barrier heights but also that of the carrier concentration. We also discuss the mechanisms of the ohmic-Schottky conversions and clarify the ambiguity in the literature. The possibility about the variation of the carrier concentration under the applied fields has been confirmed by experimental results.

  2. Impact of scaling on the performance and reliability degradation of metal-contacts in NEMS devices

    KAUST Repository

    Dadgour, Hamed F.

    2011-04-01

    Nano-electro-mechanical switches (NEMS) offer new possibilities for the design of ultra energy-efficient systems; however, thus far, all the fabricated NEMS devices require high supply voltages that limit their applicability for logic designs. Therefore, research is being conducted to lower the operating voltages by scaling down the physical dimensions of these devices. However, the impact of device scaling on the electrical and mechanical properties of metal contacts in NEMS devices has not been thoroughly investigated in the literature. Such a study is essential because metal contacts play a critical role in determining the overall performance and reliability of NEMS. Therefore, the comprehensive analytical study presented in this paper highlights the performance and reliability degradations of such metal contacts caused by scaling. The proposed modeling environment accurately takes into account the impact of roughness of contact surfaces, elastic/plastic deformation of contacting asperities, and various inter-molecular forces between mating surfaces (such as Van der Waals and capillary forces). The modeling results are validated and calibrated using available measurement data. This scaling analysis indicates that the key contact properties of gold contacts (resistance, stiction and wear-out) deteriorate "exponentially" with scaling. Simulation results demonstrate that reliable (stiction-free) operation of very small contact areas (≈ 6nm x 6nm) will be a daunting task due to the existence of strong surface forces. Hence, contact degradation is identified as a major problem to the scaling of NEMS transistors. © 2011 IEEE.

  3. Pair potentials and structure factors of liquid alkali metals

    International Nuclear Information System (INIS)

    Kumaravadivel, R.; Tosi, M.P.

    1984-03-01

    Measured structure factors of liquid alkali metals are examined in the framework of screened-pair-potentials theory. Information on the main attractive well in the effective pair potential is obtained from the structural data by an approximate method stemming from an optimized random phase treatment of the indirect ion-ion attraction. The results are compared with a variety of theoretical pair potentials in the cases of sodium and potassium, after a test of the method against computer simulation data on a model for rubidium. Results for the other alkali metals are also given and discussed. The small-angle scattering region is then examined in considerable detail, with special attention to the possibility of a linear term in a series expansion of the structure factor at very small momentum transfer. Although sensitivity to both the bare electron-ion coupling and the local field factor in the screening function is demonstrated and analyzed, no linear term of the magnitude reported in recent X-ray diffraction experiments is found in the present theoretical framework. (author)

  4. Structural study of Zr-based metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Matsubara, E. [Department of Materials Science and Engineering, Kyoto University, Kyoto 606-8501 (Japan)]. E-mail: e.matsubara@materials.mbox.media.kyoto-u.ac.jp; Ichitsubo, T. [Department of Materials Science and Engineering, Kyoto University, Kyoto 606-8501 (Japan); Saida, J. [Center of Interdisciplinary Research, Tohoku University, Sendai 980-8578 (Japan); Kohara, S. [JASRI, SPring-8, Sayo-gun, Hyogo 679-5198 (Japan); Ohsumi, H. [JASRI, SPring-8, Sayo-gun, Hyogo 679-5198 (Japan)

    2007-05-31

    Structures of Zr{sub 70}Ni{sub 20}Al{sub 10}, Zr{sub 70}Cu{sub 20}Al{sub 10}, Zr{sub 70}Cu{sub 30} and Zr{sub 70}Ni{sub 30} amorphous alloys were analyzed by high-energy X-ray diffraction. The relatively stable Zr{sub 2}Cu amorphous alloy shows a local atom arrangement different from the Zr{sub 2}Cu crystalline phase. By contrast, the less stable Zr{sub 70}Ni{sub 30} amorphous alloy has a structure similar to Zr{sub 2}Ni. In the Zr{sub 70}Cu{sub 20}Al{sub 10} metallic glass, Zr-Al nearest neighbor pairs are introduced in the amorphous structure. In the Zr{sub 70}Ni{sub 20}Al{sub 10} metallic glass, the strong correlation between Zr-Ni pairs is drastically modified by the formation of Zr-Al pairs. The presence of Zr-Al pairs in the ternary alloys suppresses the crystallization and stabilizes the glassy state.

  5. Development of indigenous laboratory scale gas atomizer for producing metal powders

    International Nuclear Information System (INIS)

    Khan, K.K.; Qasim, A.M.; Ahmed, P.

    2011-01-01

    Gas atomization is one of the methods for production of clean metal powders at relatively moderate cost. A laboratory scale gas atomizer was designed and fabricated indigenously to produce metal powders with a batch capacity of 500 g of copper (Cu). The design includes several features regarding fabrication and operation to provide optimum conditions for atomization. The inner diameter of atomizing chamber is 440 mm and its height is 1200 mm. The atomizing nozzle is of annular confined convergent type with an angle of 25 degree. Argon gas at desired pressure has been used for atomizing the metals to produce relatively clean powders. A provision has also been made to view the atomization process. The indigenous laboratory scale gas atomizer was used to produce tin (Sn) and copper (Cu) powders with different atomizing gas pressures ranging from 2 to 10 bar. The particle size of different powders produced ranges from 40 to 400 im. (author)

  6. Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces

    DEFF Research Database (Denmark)

    Abild-Pedersen, Frank; Greeley, Jeffrey Philip; Studt, Felix

    2007-01-01

    Density functional theory calculations are presented for CHx, x=0,1,2,3, NHx, x=0,1,2, OHx, x=0,1, and SHx, x=0,1 adsorption on a range of close-packed and stepped transition-metal surfaces. We find that the adsorption energy of any of the molecules considered scales approximately with the adsorp...

  7. Direct testing of scale effects in metal forming friction and lubrication

    DEFF Research Database (Denmark)

    Nielsen, Peter Søe; Calaon, Matteo; Paldan, Nikolas Aulin

    2010-01-01

    Downscaling of metal forming operations from macro to micro scale implies significant changes caused by size effects, among these the friction increase, which has been reported by researchers using indirect test methods such as ring-compression test and double-cup-extrusion test. In the present w...

  8. Large scale metal-free synthesis of graphene on sapphire and transfer-free device fabrication.

    Science.gov (United States)

    Song, Hyun Jae; Son, Minhyeok; Park, Chibeom; Lim, Hyunseob; Levendorf, Mark P; Tsen, Adam W; Park, Jiwoong; Choi, Hee Cheul

    2012-05-21

    Metal catalyst-free growth of large scale single layer graphene film on a sapphire substrate by a chemical vapor deposition (CVD) process at 950 °C is demonstrated. A top-gated graphene field effect transistor (FET) device is successfully fabricated without any transfer process. The detailed growth process is investigated by the atomic force microscopy (AFM) studies.

  9. Channel length scaling and the impact of metal gate work function ...

    Indian Academy of Sciences (India)

    As the channel length is reduced from one transistor generation to the next, ... As CMOS technology continues to scale, metal gate electrodes need to be intro .... in the z-direction, q is the electron charge, h is the Planck's constant, Ψ(x, z) is the.

  10. Feasibility Study on 3-D Printing of Metallic Structural Materials with Robotized Laser-Based Metal Additive Manufacturing

    Science.gov (United States)

    Ding, Yaoyu; Kovacevic, Radovan

    2016-07-01

    Metallic structural materials continue to open new avenues in achieving exotic mechanical properties that are naturally unavailable. They hold great potential in developing novel products in diverse industries such as the automotive, aerospace, biomedical, oil and gas, and defense. Currently, the use of metallic structural materials in industry is still limited because of difficulties in their manufacturing. This article studied the feasibility of printing metallic structural materials with robotized laser-based metal additive manufacturing (RLMAM). In this study, two metallic structural materials characterized by an enlarged positive Poisson's ratio and a negative Poisson's ratio were designed and simulated, respectively. An RLMAM system developed at the Research Center for Advanced Manufacturing of Southern Methodist University was used to print them. The results of the tensile tests indicated that the printed samples successfully achieved the corresponding mechanical properties.

  11. Structural strengthening of rocket nozzle extension by means of laser metal deposition

    Science.gov (United States)

    Honoré, M.; Brox, L.; Hallberg, M.

    2012-03-01

    Commercial space operations strive to maximize the payload per launch in order to minimize the costs of each kg launched into orbit; this yields demand for ever larger launchers with larger, more powerful rocket engines. Volvo Aero Corporation in collaboration with Snecma and Astrium has designed and tested a new, upgraded Nozzle extension for the Vulcain 2 engine configuration, denoted Vulcain 2+ NE Demonstrator The manufacturing process for the welding of the sandwich wall and the stiffening structure is developed in close cooperation with FORCE Technology. The upgrade is intended to be available for future development programs for the European Space Agency's (ESA) highly successful commercial launch vehicle, the ARIANE 5. The Vulcain 2+ Nozzle Extension Demonstrator [1] features a novel, thin-sheet laser-welded configuration, with laser metal deposition built-up 3D-features for the mounting of stiffening structure, flanges and for structural strengthening, in order to cope with the extreme load- and thermal conditions, to which the rocket nozzle extension is exposed during launch of the 750 ton ARIANE 5 launcher. Several millimeters of material thickness has been deposited by laser metal deposition without disturbing the intricate flow geometry of the nozzle cooling channels. The laser metal deposition process has been applied on a full-scale rocket nozzle demonstrator, and in excess of 15 kilometers of filler wire has been successfully applied to the rocket nozzle. The laser metal deposition has proven successful in two full-throttle, full-scale tests, firing the rocket engine and nozzle in the ESA test facility P5 by DLR in Lampoldshausen, Germany.

  12. PM - processing for manufacturing of metals with cellular structures

    International Nuclear Information System (INIS)

    Strobl, S.; Danninger, H.

    2001-01-01

    In this review the major Processes about manufacturing of metals with cellular structure are described - based on powder metallurgy, chemical deposition and some other methods (without melting techniques). It can be shown that during the last decade many interesting innovations led to new production methods to design cellular materials. Some of them are used nowadays in industry. Also characterization and properties become more important and have therefore been carried out carefully, because of their strong influence on the functions and applications of such materials. (author)

  13. Simulation of Cu-Mg metallic glass: Thermodynamics and structure

    DEFF Research Database (Denmark)

    Bailey, Nicholas; Schiøtz, Jakob; Jacobsen, Karsten Wedel

    2004-01-01

    We have obtained effective medium theory interatomic potential parameters suitable for studying Cu-Mg metallic glasses. We present thermodynamic and structural results from simulations of such glasses over a range of compositions. We have produced low-temperature configurations by cooling from...... the melt at as slow a rate as practical, using constant temperature and pressure molecular dynamics. During the cooling process we have carried out thermodynamic analyses based on the temperature dependence of the enthalpy and its derivative, the specific heat, from which the glass transition temperature...

  14. Metal matrix composite fabrication processes for high performance aerospace structures

    Science.gov (United States)

    Ponzi, C.

    A survey is conducted of extant methods of metal matrix composite (MMC) production in order to serve as a basis for prospective MMC users' selection of a matrix/reinforcement combination, cost-effective primary fabrication methods, and secondary fabrication techniques for the achievement of desired performance levels. Attention is given to the illustrative cases of structural fittings, control-surface connecting rods, hypersonic aircraft air inlet ramps, helicopter swash plates, and turbine rotor disks. Methods for technical and cost analysis modeling useful in process optimization are noted.

  15. Multi-scale structural community organisation of the human genome.

    Science.gov (United States)

    Boulos, Rasha E; Tremblay, Nicolas; Arneodo, Alain; Borgnat, Pierre; Audit, Benjamin

    2017-04-11

    Structural interaction frequency matrices between all genome loci are now experimentally achievable thanks to high-throughput chromosome conformation capture technologies. This ensues a new methodological challenge for computational biology which consists in objectively extracting from these data the structural motifs characteristic of genome organisation. We deployed the fast multi-scale community mining algorithm based on spectral graph wavelets to characterise the networks of intra-chromosomal interactions in human cell lines. We observed that there exist structural domains of all sizes up to chromosome length and demonstrated that the set of structural communities forms a hierarchy of chromosome segments. Hence, at all scales, chromosome folding predominantly involves interactions between neighbouring sites rather than the formation of links between distant loci. Multi-scale structural decomposition of human chromosomes provides an original framework to question structural organisation and its relationship to functional regulation across the scales. By construction the proposed methodology is independent of the precise assembly of the reference genome and is thus directly applicable to genomes whose assembly is not fully determined.

  16. Atomic structure of non-stoichiometric transition metal carbides

    International Nuclear Information System (INIS)

    Moisy-Maurice, Virginie.

    1981-10-01

    Different kinds of experimental studies of the atomic arrangement in non-stoichiometric transition metal carbides are proposed: the ordering of carbon vacancies and the atomic static displacements are the main subjects studied. Powder neutron diffraction on TiCsub(1-x) allowed us to determine the order-disorder transition critical temperature -Tsub(c) approximately 770 0 C- in the TiCsub(0.52-0.67) range, and to analyze at 300 K the crystal structure of long-range ordered samples. A neutron diffuse scattering quantitative study at 300 K of short-range order in TiCsub(0.76), TiCsub(0.79) and NbCsub(0.73) single crystals is presented: as in Ti 2 Csub(1+x) and Nb 6 C 5 superstructures, vacancies avoid to be on each side of a metal atom. Besides, the mean-square carbon atom displacements from their sites are small, whereas metal atoms move radially about 0.03 A away from vacancies. These results are in qualitative agreement with EXAFS measurements at titanium-K edge of TiCsub(1-x). An interpretation of ordering in term of short-range interaction pair potentials between vacancies is proposed [fr

  17. Discontinuous structural phase transition of liquid metal and alloys (2)

    International Nuclear Information System (INIS)

    Wang, Li; Liu, Jiantong

    2004-01-01

    The diameter (d f ) of diffusion fluid cluster before and after phase transition has been calculated in terms of the paper ''Discontinuous structural phase transition of liquid metal and alloy (1)'' Physics Letters. A 326 (2004) 429-435, to verify quantitatively the discontinuity of structural phase transition; the phenomena of thermal contraction and thermal expansion during the phase transition, together with the evolution model of discontinuous structural phase transition are also discussed in this Letter to explore further the nature of structural transition; In addition, based on the viscosity experimental result mentioned in paper [Y. Waseda, The Structure of Non-Crystalline Materials--Liquids and Amorphous Solids, McGraw-Hill, New York, 1980], we present an approach to draw an embryo of the liquid-liquid (L-L) phase diagram for binary alloys above liquidus in the paper, expecting to guide metallurgy process so as to improve the properties of alloys. The idea that controls amorphous structure and its properties by means of the L-L phase diagram for alloys and by the rapid cooling technique to form the amorphous alloy has been brought forward in the end

  18. Organic/metal interfaces. Electronic and structural properties

    Energy Technology Data Exchange (ETDEWEB)

    Duhm, Steffen

    2008-07-17

    This work addresses several important topics of the field of organic electronics. The focus lies on organic/metal interfaces, which exist in all organic electronic devices. Physical properties of such interfaces are crucial for device performance. Four main topics have been covered: (i) the impact of molecular orientation on the energy levels, (ii) energy level tuning with strong electron acceptors, (iii) the role of thermodynamic equilibrium at organic/ organic homo-interfaces and (iv) the correlation of interfacial electronic structure and bonding distance. To address these issues a broad experimental approach was necessary: mainly ultraviolet photoelectron spectroscopy was used, supported by X-ray photoelectron spectroscopy, metastable atom electron spectroscopy, X-ray diffraction and X-ray standing waves, to examine vacuum sublimed thin films of conjugated organic molecules (COMs) in ultrahigh vacuum. (i) A novel approach is presented to explain the phenomenon that the ionization energy in molecular assemblies is orientation dependent. It is demonstrated that this is due to a macroscopic impact of intramolecular dipoles on the ionization energy in molecular assemblies. Furthermore, the correlation of molecular orientation and conformation has been studied in detail for COMs on various substrates. (ii) A new approach was developed to tune hole injection barriers ({delta}{sub h}) at organic/metal interfaces by adsorbing a (sub-) monolayer of an organic electron acceptor on the metal electrode. Charge transfer from the metal to the acceptor leads to a chemisorbed layer, which reduces {delta}{sub h} to the COM overlayer. This concept was tested with three acceptors and a lowering of {delta}{sub h} of up to 1.2 eV could be observed. (iii) A transition from vacuum-level alignment to molecular level pinning at the homo-interface between a lying monolayer and standing multilayers of a COM was observed, which depended on the amount of a pre-deposited acceptor. The

  19. Trends in large-scale testing of reactor structures

    International Nuclear Information System (INIS)

    Blejwas, T.E.

    2003-01-01

    Large-scale tests of reactor structures have been conducted at Sandia National Laboratories since the late 1970s. This paper describes a number of different large-scale impact tests, pressurization tests of models of containment structures, and thermal-pressure tests of models of reactor pressure vessels. The advantages of large-scale testing are evident, but cost, in particular limits its use. As computer models have grown in size, such as number of degrees of freedom, the advent of computer graphics has made possible very realistic representation of results - results that may not accurately represent reality. A necessary condition to avoiding this pitfall is the validation of the analytical methods and underlying physical representations. Ironically, the immensely larger computer models sometimes increase the need for large-scale testing, because the modeling is applied to increasing more complex structural systems and/or more complex physical phenomena. Unfortunately, the cost of large-scale tests is a disadvantage that will likely severely limit similar testing in the future. International collaborations may provide the best mechanism for funding future programs with large-scale tests. (author)

  20. Impact of incomplete metal coverage on the electrical properties of metal-CNT contacts: A large-scale ab initio study

    Energy Technology Data Exchange (ETDEWEB)

    Fediai, Artem, E-mail: artem.fediai@nano.tu-dresden.de; Ryndyk, Dmitry A. [Institute for Materials Science and Max Bergman Center of Biomaterials, TU Dresden, 01062 Dresden (Germany); Center for Advancing Electronics Dresden, TU Dresden, 01062 Dresden (Germany); Seifert, Gotthard [Theoretical Chemistry, TU Dresden, 01062 Dresden (Germany); Center for Advancing Electronics Dresden, TU Dresden, 01062 Dresden (Germany); Dresden Center for Computational Materials Science, TU Dresden, 01062 Dresden (Germany); Mothes, Sven; Schroter, Michael; Claus, Martin [Chair for Electron Devices and Integrated Circuits, TU Dresden, 01062 Dresden (Germany); Center for Advancing Electronics Dresden, TU Dresden, 01062 Dresden (Germany); Cuniberti, Gianaurelio [Institute for Materials Science and Max Bergman Center of Biomaterials, TU Dresden, 01062 Dresden (Germany); Center for Advancing Electronics Dresden, TU Dresden, 01062 Dresden (Germany); Dresden Center for Computational Materials Science, TU Dresden, 01062 Dresden (Germany)

    2016-09-05

    Using a dedicated combination of the non-equilibrium Green function formalism and large-scale density functional theory calculations, we investigated how incomplete metal coverage influences two of the most important electrical properties of carbon nanotube (CNT)-based transistors: contact resistance and its scaling with contact length, and maximum current. These quantities have been derived from parameter-free simulations of atomic systems that are as close as possible to experimental geometries. Physical mechanisms that govern these dependences have been identified for various metals, representing different CNT-metal interaction strengths from chemisorption to physisorption. Our results pave the way for an application-oriented design of CNT-metal contacts.

  1. Stability of Bulk Metallic Glass Structure. Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Jain, H.; Williams, D. B.

    2003-06-01

    The fundamental origins of the stability of the (Pd-Ni){sub 80}P{sub 20} bulk metallic glasses (BMGs), a prototype for a whole class of BMG formers, were explored. While much of the properties of their BMGs have been characterized, their glass-stability have not been explained in terms of the atomic and electronic structure. The local structure around all three constituent atoms was obtained, in a complementary way, using extended X-ray absorption fine structure (EXAFS), to probe the nearest neighbor environment of the metals, and extended energy loss fine structure (EXELFS), to investigate the environment around P. The occupied electronic structure was investigated using X-ray photoelectron spectroscopy (XPS). The (Pd-Ni){sub 80}P{sub 20} BMGs receive their stability from cumulative, and interrelated, effects of both atomic and electronic origin. The stability of the (Pd-Ni){sub 80}P{sub 20} BMGs can be explained in terms of the stability of Pd{sub 60}Ni{sub 20}P{sub 20} and Pd{sub 30}Ni{sub 50}P{sub 20}, glasses at the end of BMG formation. The atomic structure in these alloys is very similar to those of the binary phosphide crystals near x=0 and x=80, which are trigonal prisms of Pd or Ni atoms surrounding P atoms. Such structures are known to exist in dense, randomly-packed systems. The structure of the best glass former in this series, Pd{sub 40}Ni{sub 40}P{sub 20} is further described by a weighted average of those of Pd{sub 30}Ni{sub 50}P{sub 20} and Pd{sub 60}Ni{sub 20}P{sub 20}. Bonding states present only in the ternary alloys were found and point to a further stabilization of the system through a negative heat of mixing between Pd and Ni atoms. The Nagel and Tauc criterion, correlating a decrease in the density of states at the Fermi level with an increase in the glass stability, was consistent with greater stability of the Pd{sub x}Ni{sub 80-x}P{sub 20} glasses with respect to the binary alloys of P. A valence electron concentration of 1.8 e/a, which

  2. Similitude and scaling of large structural elements: Case study

    Directory of Open Access Journals (Sweden)

    M. Shehadeh

    2015-06-01

    Full Text Available Scaled down models are widely used for experimental investigations of large structures due to the limitation in the capacities of testing facilities along with the expenses of the experimentation. The modeling accuracy depends upon the model material properties, fabrication accuracy and loading techniques. In the present work the Buckingham π theorem is used to develop the relations (i.e. geometry, loading and properties between the model and a large structural element as that is present in the huge existing petroleum oil drilling rigs. The model is to be designed, loaded and treated according to a set of similitude requirements that relate the model to the large structural element. Three independent scale factors which represent three fundamental dimensions, namely mass, length and time need to be selected for designing the scaled down model. Numerical prediction of the stress distribution within the model and its elastic deformation under steady loading is to be made. The results are compared with those obtained from the full scale structure numerical computations. The effect of scaled down model size and material on the accuracy of the modeling technique is thoroughly examined.

  3. Large-scale structure observables in general relativity

    International Nuclear Information System (INIS)

    Jeong, Donghui; Schmidt, Fabian

    2015-01-01

    We review recent studies that rigorously define several key observables of the large-scale structure of the Universe in a general relativistic context. Specifically, we consider (i) redshift perturbation of cosmic clock events; (ii) distortion of cosmic rulers, including weak lensing shear and magnification; and (iii) observed number density of tracers of the large-scale structure. We provide covariant and gauge-invariant expressions of these observables. Our expressions are given for a linearly perturbed flat Friedmann–Robertson–Walker metric including scalar, vector, and tensor metric perturbations. While we restrict ourselves to linear order in perturbation theory, the approach can be straightforwardly generalized to higher order. (paper)

  4. Classification of Farmland Landscape Structure in Multiple Scales

    Science.gov (United States)

    Jiang, P.; Cheng, Q.; Li, M.

    2017-12-01

    Farmland is one of the basic terrestrial resources that support the development and survival of human beings and thus plays a crucial role in the national security of every country. Pattern change is the intuitively spatial representation of the scale and quality variation of farmland. Through the characteristic development of spatial shapes as well as through changes in system structures, functions and so on, farmland landscape patterns may indicate the landscape health level. Currently, it is still difficult to perform positioning analyses of landscape pattern changes that reflect the landscape structure variations of farmland with an index model. Depending on a number of spatial properties such as locations and adjacency relations, distance decay, fringe effect, and on the model of patch-corridor-matrix that is applied, this study defines a type system of farmland landscape structure on the national, provincial, and city levels. According to such a definition, the classification model of farmland landscape-structure type at the pixel scale is developed and validated based on mathematical-morphology concepts and on spatial-analysis methods. Then, the laws that govern farmland landscape-pattern change in multiple scales are analyzed from the perspectives of spatial heterogeneity, spatio-temporal evolution, and function transformation. The result shows that the classification model of farmland landscape-structure type can reflect farmland landscape-pattern change and its effects on farmland production function. Moreover, farmland landscape change in different scales displayed significant disparity in zonality, both within specific regions and in urban-rural areas.

  5. Optical properties of hybrid semiconductor-metal structures

    Energy Technology Data Exchange (ETDEWEB)

    Kreilkamp, L.E.; Pohl, M.; Akimov, I.A.; Yakovlev, D.R.; Bayer, M. [Experimentelle Physik 2, Technische Universitaet Dortmund, 44221 Dortmund (Germany); Belotelov, V.I.; Zvezdin, A.K. [A.M. Prokhorov General Physics Institute, Russian Academy of Sciences, 119992 Moscow (Russian Federation); Karczewski, G.; Wojtowicz, T. [Institute of Physics, Polish Academy of Sciences, 02668 Warsaw (Poland); Rudzinski, A.; Kahl, M. [Raith GmbH, Konrad-Adenauer-Allee 8, 44263 Dortmund (Germany)

    2012-07-01

    We study the optical properties of hybrid nanostructures comprising a semiconductor CdTe quantum well (QW) separated by a thin CdMgTe cap layer of 40 nm from a patterned gold film. The CdTe/CdMgTe QW structure with a well width of 10nm was grown by molecular beam epitaxy. The one-dimensional periodic gold films on top were made using e-beam lithography and lift-off process. The investigated structures can be considered as plasmonic crystals because the metal films attached to the semiconductor are patterned with a period in the range from 475 to 600 nm, which is comparable to the surface plasmon-polariton (SPP) wavelength. Angle dependent reflection spectra at room temperature clearly show plasmonic resonances. PL spectra taken at low temperatures of about 10 K under below- and above-barrier illumination show significant modifications compared to the unstructured QW sample. The number of emission lines and their position shift change depending on the excitation energy. The role of exciton-SPP coupling and Schottky barrier at the semiconductor-metal interface are discussed.

  6. Non-metallic structural wrap systems for pipe

    International Nuclear Information System (INIS)

    Walker, R.H.; Wesley Rowley, C.

    2001-01-01

    The use of thermoplastics and reinforcing fiber has been a long-term application of non-metallic material for structural applications. With the advent of specialized epoxies and carbon reinforcing fiber, structural strength approaching and surpassing steel has been used in a wide variety of applications, including nuclear power plants. One of those applications is a NSWS for pipe and other structural members. The NSWS is system of integrating epoxies with reinforcing fiber in a wrapped geometrical configuration. This paper specifically addresses the repair of degraded pipe in heat removal systems used in nuclear power plants, which is typically caused by corrosion, erosion, or abrasion. Loss of structural material leads to leaks, which can be arrested by a NSWS for the pipe. The technical aspects of using thermoplastics to structurally improve degraded pipe in nuclear power plants has been addressed in the ASME B and PV Code Case N-589. Using the fundamentals described in that Code Case, this paper shows how this technology can be extended to pipe repair from the outside. This NSWS has already been used extensively in non-nuclear applications and in one nuclear application. The cost to apply this NSWS is typically substantially less than replacing the pipe and may be technically superior to replacing the pipe. (author)

  7. Factor structure of the Body Appreciation Scale among Malaysian women.

    Science.gov (United States)

    Swami, Viren; Chamorro-Premuzic, Tomas

    2008-12-01

    The present study examined the factor structure of a Malay version of the Body Appreciation Scale (BAS), a recently developed scale for the assessment of positive body image that has been shown to have a unidimensional structure in Western settings. Results of exploratory and confirmatory factor analyses based on data from community sample of 591 women in Kuala Lumpur, Malaysia, failed to support a unidimensional structure for the Malay BAS. Results of a confirmatory factor analysis suggested two stable factors, which were labelled 'General Body Appreciation' and 'Body Image Investment'. Multi-group analysis showed that the two-factor structure was invariant for both Malaysian Malay and Chinese women, and that there were no significant ethnic differences on either factor. Results also showed that General Body Appreciation was significant negatively correlated with participants' body mass index. These results are discussed in relation to possible cross-cultural differences in positive body image.

  8. Winter Maintenance Wash-Water Heavy Metal Removal Pilot Scale Evaluation

    Directory of Open Access Journals (Sweden)

    Christopher M. Miller

    2016-01-01

    Full Text Available To encourage sustainable engineering practices, departments of transportation are interested in reusing winter maintenance truck wash water as part of their brine production and future road application. Traffic-related metals in the wash water, however, could limit this option. The objective of this work was to conduct a pilot scale evaluation of heavy metal (copper, zinc, iron, and lead removal in a filtration unit (maximum flow rate of 45 L/minute containing proprietary (MAR Systems Sorbster® media. Three different trials were conducted and approximately 10,000 L of wash water collected from a winter maintenance facility in Ohio was treated with the pilot unit. Lab studies were also performed on six wash-water samples from multiple facilities to assess particle size removal and estimate settling time as a potential removal mechanism during wash-water storage. Pilot unit total metal removal efficiencies were 79%, 77%, 63%, and 94% for copper, zinc, iron, and lead, respectively. Particle settling calculation estimates for copper and zinc show that 10 hours in storage can also effectively reduce heavy metal concentrations in winter maintenance wash water in excess of 70%. These pilot scale results show promise for reducing heavy metal concentrations to an acceptable level for reuse.

  9. Quantum criticality and emergence of the T/B scaling in strongly correlated metals

    International Nuclear Information System (INIS)

    Watanabe, Shinji; Miyake, Kazumasa

    2016-01-01

    A new type of scaling observed in heavy-electron metal β-YbAlB_4, where the magnetic susceptibility is expressed as a single scaling function of the ratio of temperature T and magnetic field B over four decades, is examined theoretically. We develop the mode-coupling theory for critical Yb-valence fluctuations under a magnetic field, verifying that the T/B scaling behavior appears near the QCP of the valence transition. Emergence of the T/B scaling indicates the presence of the small characteristic temperature of the critical Yb-valence fluctuation due to the strong local correlation effect. It is discussed that the T/B scaling as well as the unconventional criticality is explained from the viewpoint of the quantum valence criticality in a unified way.

  10. Quantum criticality and emergence of the T/B scaling in strongly correlated metals

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, Shinji [Department of Basic Sciences, Kyushu Institute of Technology, Kitakyushu (Japan); Miyake, Kazumasa [Toyota Physical and Chemical Research Institute, Nagakute (Japan)

    2016-02-15

    A new type of scaling observed in heavy-electron metal β-YbAlB{sub 4}, where the magnetic susceptibility is expressed as a single scaling function of the ratio of temperature T and magnetic field B over four decades, is examined theoretically. We develop the mode-coupling theory for critical Yb-valence fluctuations under a magnetic field, verifying that the T/B scaling behavior appears near the QCP of the valence transition. Emergence of the T/B scaling indicates the presence of the small characteristic temperature of the critical Yb-valence fluctuation due to the strong local correlation effect. It is discussed that the T/B scaling as well as the unconventional criticality is explained from the viewpoint of the quantum valence criticality in a unified way.

  11. Packaging a liquid metal ESD with micro-scale Mercury droplet.

    Energy Technology Data Exchange (ETDEWEB)

    Barnard, Casey Anderson

    2011-08-01

    A liquid metal ESD is being developed to provide electrical switching at different acceleration levels. The metal will act as both proof mass and electric contact. Mercury is chosen to comply with operation parameters. There are many challenges surrounding the deposition and containment of micro scale mercury droplets. Novel methods of micro liquid transfer are developed to deliver controllable amounts of mercury to the appropriate channels in volumes under 1 uL. Issues of hermetic sealing and avoidance of mercury contamination are also addressed.

  12. Atomic-scale simulations of the mechanical deformation of nanocrystalline metals

    DEFF Research Database (Denmark)

    Schiøtz, Jakob; Vegge, Tejs; Di Tolla, Francesco

    1999-01-01

    that the main deformation mode is sliding in the grain boundaries through a large number of uncorrelated events, where a few atoms (or a few tens of atoms) slide with respect to each other. Little dislocation activity is seen in the grain interiors. The localization of the deformation to the grain boundaries......Nanocrystalline metals, i.e., metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield strength. We present atomic-scale simulations of the plastic behavior of nanocrystalline copper. The simulations show...

  13. Controlled modification of resonant tunneling in metal-insulator-insulator-metal structures

    Science.gov (United States)

    Mitrovic, I. Z.; Weerakkody, A. D.; Sedghi, N.; Ralph, J. F.; Hall, S.; Dhanak, V. R.; Luo, Z.; Beeby, S.

    2018-01-01

    We present comprehensive experimental and theoretical work on tunnel-barrier rectifiers comprising bilayer (Nb2O5/Al2O3) insulator configurations with similar (Nb/Nb) and dissimilar (Nb/Ag) metal electrodes. The electron affinity, valence band offset, and metal work function were ascertained by X-ray photoelectron spectroscopy, variable angle spectroscopic ellipsometry, and electrical measurements on fabricated reference structures. The experimental band line-up parameters were fed into a theoretical model to predict available bound states in the Nb2O5/Al2O3 quantum well and generate tunneling probability and transmittance curves under applied bias. The onset of strong resonance in the sub-V regime was found to be controlled by a work function difference of Nb/Ag electrodes in agreement with the experimental band alignment and theoretical model. A superior low-bias asymmetry of 35 at 0.1 V and a responsivity of 5 A/W at 0.25 V were observed for the Nb/4 nm Nb2O5/1 nm Al2O3/Ag structure, sufficient to achieve a rectification of over 90% of the input alternate current terahertz signal in a rectenna device.

  14. Remanent resistance changes in metal- PrCaMnO-metal sandwich structures

    Energy Technology Data Exchange (ETDEWEB)

    Scherff, Malte; Meyer, Bjoern-Uwe; Scholz, Julius; Hoffmann, Joerg; Jooss, Christian [Institute of Materials Physics, University of Goettingen (Germany)

    2012-07-01

    The non-volatile electric pulse induced resistance change (EPIR) seems to be a rather common feature of oxides sandwiched by electrodes. However, microscopic mechanisms are discussed controversially. We present electrical transport measurements of sputtered Pr{sub 0.7}Ca{sub 0.3}MnO{sub 3} films sandwiched by metallic electrodes with variation of electrode materials, device geometry and PCMO deposition parameters. Cross-plane transport measurements have been performed as function of temperature and magnetic field. Specifically, the transition from dynamic resistance changes due to non-linear transport to remanent switching is analyzed. By analyzing changes of magneto-resistance at low temperatures in different resistance states we aim for separation between interface and film contributions to switching. Comparing switching behavior in symmetric and asymmetric electrode configuration allows for identification of the active, single interface in the switching process and the origin of an observed switching polarity inversion. The influence of excitation field and power on the switching characteristics of different noble metal electrodes is discussed. Samples from macroscopic devices and in situ stimulated sandwich structures were studied in a transmission electron microscope in order to investigate the induced structural, chemical and electronic changes.

  15. INVESTIGATING THE FACTOR STRUCTURE OF THE BLOG ATTITUDE SCALE

    Directory of Open Access Journals (Sweden)

    Zahra SHAHSAVAR

    2010-10-01

    Full Text Available Due to the wide application of advanced technology in education, many attitude scales have been developed to evaluate learners’ attitudes toward educational tools. However, with the rapid development of emerging technologies, using blogs as one of the Web 2.0 tools is still in its infancy and few blog attitude scales have been developed yet. In view of this need, a lot of researchers like to design a new scale based on their conceptual and theoretical framework of their own study rather than using available scales. The present study reports the design and development of a blog attitude scale (BAS. The researchers developed a pool of items to capture the complexity of the blog attitude trait, selected 29 items in the content analysis, and assigned the scale comprising 29 items to 216 undergraduate students to explore the underlying structure of the BAS. In exploratory factor analysis, three factors were discovered: blog anxiety, blog desirability, and blog self-efficacy; 14 items were excluded. The extracted items were subjected to a confirmatory factor analysis which lent further support to the BAS underpinning structure.

  16. Origin of large-scale cell structure in the universe

    International Nuclear Information System (INIS)

    Zel'dovich, Y.B.

    1982-01-01

    A qualitative explanation is offered for the characteristic global structure of the universe, wherein ''black'' regions devoid of galaxies are surrounded on all sides by closed, comparatively thin, ''bright'' layers populated by galaxies. The interpretation rests on some very general arguments regarding the growth of large-scale perturbations in a cold gas

  17. Factor Structure of the Exercise Self-Efficacy Scale

    Science.gov (United States)

    Cornick, Jessica E.

    2015-01-01

    The current study utilized exercise self-efficacy ratings from undergraduate students to assess the factor structure of the Self-Efficacy to Regulate Exercise Scale (Bandura, 1997, 2006). An exploratory factor analysis (n = 759) indicated a two-factor model solution and three separate confirmatory factor analyses (n = 1,798) supported this…

  18. The Large-Scale Structure of Scientific Method

    Science.gov (United States)

    Kosso, Peter

    2009-01-01

    The standard textbook description of the nature of science describes the proposal, testing, and acceptance of a theoretical idea almost entirely in isolation from other theories. The resulting model of science is a kind of piecemeal empiricism that misses the important network structure of scientific knowledge. Only the large-scale description of…

  19. Patterned Electroplating of Micrometer Scale Magnetic Structures on Glass Substrates

    NARCIS (Netherlands)

    de Vries, A.H.B.; Kanger, Johannes S.; Krenn, Bea E.; van Driel, Roel

    2004-01-01

    This paper has developed a new method of micro patterned electroplating that enables the fabrication of micrometer scale magnetic structures on glass substrates. In contrast to other methods, the process as developed here leaves the surrounding substrate area untouched: that is there is no seed

  20. Patterned electroplating of micrometer scale magnetic structures on glass substrates.

    NARCIS (Netherlands)

    de Vries, A.H.B.; Kanger, S.J.; Krenn, G.E.; van Driel, R.

    2004-01-01

    This paper has developed a new method of micro patterned electroplating that enables the fabrication of micrometer scale magnetic structures on glass substrates. In contrast to other methods, the process as developed here leaves the surrounding substrate area untouched: that is there is no seed

  1. Fractals and the Large-Scale Structure in the Universe

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 7; Issue 4. Fractals and the Large-Scale Structure in the Universe - Is the Cosmological Principle Valid? A K Mittal T R Seshadri. General Article Volume 7 Issue 4 April 2002 pp 39-47 ...

  2. A structured ecosystem-scale approach to marine water quality ...

    African Journals Online (AJOL)

    These, in turn, created the need for holistic and integrated frameworks within which to design and implement environmental management programmes. A structured ecosystem-scale approach for the design and implementation of marine water quality management programmes developed by the CSIR (South Africa) in ...

  3. Electronic structure and superconductivity of divalent metals under very high pressure

    International Nuclear Information System (INIS)

    Bireckoven, B.

    1987-05-01

    A single crystal, high-pressure diamond cell has been developed for the study of superconductors under pressures to over 50 GPa. A high sensitivity AC-SQUID magnetometer has been employed to detect the diamagnetic response of the very small samples at T C . The T C (p)-dependence of the lead-manometer has been calibrated against the ruby-pressure-scale up to pressures of 30 GPa. In spite of the well-known fcc/hcp-transition at 13 GPa lead shows a smooth T C (p)-behaviour and thus is a very suitable manometer. Band structure calculations for the alkaline earth metals indicate an appreciable s-to-d transfer with increasing pressure. In fact, superconductivity was previously observed in the pressure induced d-transition metals Sr and Ba (however not yet in Ca). For the first time the author presents a quantitative investigation of T C as a function of p up to 50 GPa. Both elements turn out to be ''good'' superconductors featuring T C 's of about 7 K. The possibility of a generalized phase diagram for the alkaline earth metals will be critically discussed. At any rate, the occurrence of such high T C 's is rather strong evidence for a substantial d-transition metal character at high p. Investigations of very dilute BaEu-alloys up to 45 GPa reveal a strong monotonic increase of ΔT C = T C Ba -T C BaEu . (orig./GSCH)

  4. Mechanical instability in non-uniform atomic structure: Application to amorphous metal

    International Nuclear Information System (INIS)

    Umeno, Yoshitaka; Kitamura, Takayuki; Tagawa, Motoki

    2007-01-01

    It is important to reveal the deformation of amorphous metal in the atomistic scale level as materials with non-crystal structure have been attracting attention with their prominent functions. In this paper atomistic simulations of tensile deformation of an amorphous model are conducted and local mechanical instability is analyzed to clarify the deformation mechanism of the amorphous structure. Instability causing sharp stress drop is associated with unstable motion of atoms within local region. The size of the region where the unstable atomic motion occurs corresponds to the magnitude of total stress decrease. At instability with large stress decrease the deformation at the onset of the instability propagates to surrounding region, which gives rise to a hysteresis loop in the stress-strain relation. This manifests the microscopic mechanism of the plasticity of amorphous structure

  5. RC structures strengthened by metal shear panels: experimental and numerical analysis

    International Nuclear Information System (INIS)

    De Matteis, G.; Formisano, A.; Mazzolani, F. M.

    2008-01-01

    Metal shear panels (MSPs) may be effectively used as a lateral load resisting system for framed structures. In the present paper, such a technique is applied for the seismic protection of existing RC buildings, by setting up a specific design procedure, which has been developed on the basis of preliminary full-scale experimental tests. The obtained results allowed the development of both simplified and advanced numerical models of both the upgraded structure and the applied shear panels. Also, the proposed design methodology, which is framed in the performance base design philosophy, has been implemented for the structural upgrading of a real Greek existing multi-storey RC building. The results of the numerical analysis confirmed the effectiveness of the proposed technique, also emphasising the efficiency of the implemented design methodology

  6. Structural and vibrational studies of clean and chemisorbed metal surfaces

    International Nuclear Information System (INIS)

    Jiang, Qing-Tang.

    1992-01-01

    Using Medium Energy Ion Scattering, we have studied the structural and vibrational properties of a number of clean and chemisorbed metal surfaces. The work presented in this thesis is mainly of a fundamental nature. However, it is believed that an atomistic understanding of the forces that affect surface structural and vibrational properties can have a beneficial impact on a large number of areas of applied nature. We find that the surface structure of Cu(001) follows the common trend for metal surfaces, where a small oscillatory relaxation exists beginning with a slight contraction in the top layer. In addition, the surface vibrational amplitude is enhanced (as s usually the case) by ∼80%. A detailed analysis of our data shows an unexpected anisotropy of the vibrational amplitude, such that the out-of-plane vibrational amplitude is 30% smaller than the in-plane vibrational amplitude. The unexpected results may imply a large tensile stress on Cu(001). Upon adsorption of 1/4 of a monolayer of S, a p(2 x 2)-S/Cu(001) surface is created. This submonolayer amount of S atoms makes the surface bulk-like, in which the anisotropy of the surface vibrations is removed and the first interlayer contraction is lifted. By comparing our model to earlier contradictory results on this controversial system. We find excellent agreement with a recent LEED study. The presence of 0.1 monolayer of Ca atoms on the Au(113) surface induces a drastic atomic rearrangements, in which half of the top layer Au atoms are missing and a (1 x 2) symmetry results. In addition, the first interlayer spacing of Au(113) is significantly reduced. Our results are discussed in terms of the energy balance between competing surface electronic charge densities

  7. TESTING THE ASTEROSEISMIC MASS SCALE USING METAL-POOR STARS CHARACTERIZED WITH APOGEE AND KEPLER

    Energy Technology Data Exchange (ETDEWEB)

    Epstein, Courtney R.; Johnson, Jennifer A.; Tayar, Jamie; Pinsonneault, Marc [Department of Astronomy, Ohio State University, 140 W. 18th Avenue, Columbus, OH 43210 (United States); Elsworth, Yvonne P.; Chaplin, William J. [School of Physics and Astronomy, University of Birmingham, Edgbaston Park Road, West Midlands, Birmingham B15 2TT (United Kingdom); Shetrone, Matthew [McDonald Observatory, The University of Texas at Austin, 1 University Station, C1400, Austin, TX 78712-0259 (United States); Mosser, Benoît [LESIA, CNRS, Université Pierre et Marie Curie, Université Denis Diderot, Observatoire de Paris, F-92195 Meudon Cedex (France); Hekker, Saskia [Max-Planck-Institut für Sonnensystemforschung, Justus-von-Liebig-Weg 3, D-37077 Göttingen (Germany); Harding, Paul [Department of Astronomy, Case Western Reserve University, Cleveland, OH 44106-7215 (United States); Silva Aguirre, Víctor [Stellar Astrophysics Centre, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus C (Denmark); Basu, Sarbani [Department of Astronomy, Yale University, P.O. Box 208101, New Haven, CT 06520-8101 (United States); Beers, Timothy C. [National Optical Astronomy Observatory, Tucson, AZ 85719, USA and JINA: Joint Institute for Nuclear Astrophysics (United States); Bizyaev, Dmitry [Apache Point Observatory, Sunspot, NM 88349 (United States); Bedding, Timothy R. [Sydney Institute for Astronomy (SIfA), School of Physics, University of Sydney, NSW 2006 (Australia); Frinchaboy, Peter M. [Department of Physics and Astronomy, Texas Christian University, TCU Box 298840, Fort Worth, TX 76129 (United States); García, Rafael A. [Laboratoire AIM, CEA/DSM-CNRS, Universit Paris 7 Diderot, IRFU/SAp, Centre de Saclay, F-91191, Gif-sur-Yvette (France); Pérez, Ana E. García; Hearty, Fred R., E-mail: epstein@astronomy.ohio-state.edu [Department of Astronomy, University of Virginia, Charlottesville, VA 22904 (United States); and others

    2014-04-20

    Fundamental stellar properties, such as mass, radius, and age, can be inferred using asteroseismology. Cool stars with convective envelopes have turbulent motions that can stochastically drive and damp pulsations. The properties of the oscillation frequency power spectrum can be tied to mass and radius through solar-scaled asteroseismic relations. Stellar properties derived using these scaling relations need verification over a range of metallicities. Because the age and mass of halo stars are well-constrained by astrophysical priors, they provide an independent, empirical check on asteroseismic mass estimates in the low-metallicity regime. We identify nine metal-poor red giants (including six stars that are kinematically associated with the halo) from a sample observed by both the Kepler space telescope and the Sloan Digital Sky Survey-III APOGEE spectroscopic survey. We compare masses inferred using asteroseismology to those expected for halo and thick-disk stars. Although our sample is small, standard scaling relations, combined with asteroseismic parameters from the APOKASC Catalog, produce masses that are systematically higher (<ΔM > =0.17 ± 0.05 M {sub ☉}) than astrophysical expectations. The magnitude of the mass discrepancy is reduced by known theoretical corrections to the measured large frequency separation scaling relationship. Using alternative methods for measuring asteroseismic parameters induces systematic shifts at the 0.04 M {sub ☉} level. We also compare published asteroseismic analyses with scaling relationship masses to examine the impact of using the frequency of maximum power as a constraint. Upcoming APOKASC observations will provide a larger sample of ∼100 metal-poor stars, important for detailed asteroseismic characterization of Galactic stellar populations.

  8. Related Structure Characters and Stability of Structural Defects in a Metallic Glass.

    Science.gov (United States)

    Niu, Xiaofeng; Feng, Shidong; Pan, Shaopeng

    2018-03-22

    Structural defects were investigated by a recently proposed structural parameter, quasi-nearest atom (QNA), in a modeled Zr 50 Cu 50 metallic glass through molecular dynamics simulations. More QNAs around an atom usually means that more defects are located near the atom. Structural analysis reveals that the spatial distribution of the numbers of QNAs displays to be clearly heterogeneous. Furthermore, QNA is closely correlated with cluster connections, especially four-atom cluster connections. Atoms with larger coordination numbers usually have less QNAs. When two atoms have the same coordination number, the atom with larger five-fold symmetry has less QNAs. The number of QNAs around an atom changes rather frequently and the change of QNAs might be correlated with the fast relaxation metallic glasses.

  9. Related Structure Characters and Stability of Structural Defects in a Metallic Glass

    Science.gov (United States)

    Niu, Xiaofeng; Feng, Shidong; Pan, Shaopeng

    2018-01-01

    Structural defects were investigated by a recently proposed structural parameter, quasi-nearest atom (QNA), in a modeled Zr50Cu50 metallic glass through molecular dynamics simulations. More QNAs around an atom usually means that more defects are located near the atom. Structural analysis reveals that the spatial distribution of the numbers of QNAs displays to be clearly heterogeneous. Furthermore, QNA is closely correlated with cluster connections, especially four-atom cluster connections. Atoms with larger coordination numbers usually have less QNAs. When two atoms have the same coordination number, the atom with larger five-fold symmetry has less QNAs. The number of QNAs around an atom changes rather frequently and the change of QNAs might be correlated with the fast relaxation metallic glasses. PMID:29565298

  10. The factor structure of the Social Interaction Anxiety Scale and the Social Phobia Scale.

    Science.gov (United States)

    Heidenreich, Thomas; Schermelleh-Engel, Karin; Schramm, Elisabeth; Hofmann, Stefan G; Stangier, Ulrich

    2011-05-01

    The Social Interaction Anxiety Scale (SIAS) and the Social Phobia Scale (SPS) are two compendium measures that have become some of the most popular self-report scales of social anxiety. Despite their popularity, it remains unclear whether it is necessary to maintain two separate scales of social anxiety. The primary objective of the present study was to examine the factor analytic structure of both measures to determine the factorial validity of each scale. For this purpose, we administered both scales to 577 patients at the beginning of outpatient treatment. Analyzing both scales simultaneously, a CFA with two correlated factors showed a better fit to the data than a single factor model. An additional EFA with an oblique rotation on all 40 items using the WLSMV estimator further supported the two factor solution. These results suggest that the SIAS and SPS measure similar, but not identical facets of social anxiety. Thus, our findings provide support to retain the SIAS and SPS as two separate scales. Copyright © 2011 Elsevier Ltd. All rights reserved.

  11. On the structure of heavy metals; Sur la structure des metaux lourds

    Energy Technology Data Exchange (ETDEWEB)

    Friedel, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires; Faculte des Sciences de l' Universite de Paris, 75 (France)

    1958-07-01

    The properties of the last series of Mendeleef's table are compared with those of the elements of the preceding series. This comparison suggests an electronic structure of the 'transition metal' type, with narrow bands, at the beginning of this series (up to certain phases at least of plutonium); then of the rare earth metal type, with independent non-saturated internal layers, further on in the series. The 5 f orbits seem to play an important part in these two types of structure, from uranium on. A more detailed study of the very heavy elements (americium and beyond) and alloys would allow these conclusions to be confirmed. Certain general points, concerning the nature of homopolar connections and paramagnetism in the transition metals, are developed in an additional section. (author) [French] Les proprietes des elements de la derniere serie du tableau de Mendeleef sont comparees a celles des elements des series precedentes. Cette comparaison suggere une structure electronique du type 'metal de transition', a bandes etroites, au debut de cette serie (jusqu'a certaines phases au moins du plutonium); puis du type d'un metal des terres rares, a couches internes non saturees independantes, au-dela dans la serie. Les orbitales 5 f semblent jouer un r e important, dans ces deux types de structures, a partir de l'uranium. Une etude plus poussee des elements tres lourds (americium et au-dela) et des alliages permettrait de confirmer ces conclusions. Certains points generaux, concernant la nature des liaisons homopolaires et le paramagnetisme dans les metaux de transition, sont developpes en annexe. (auteur)

  12. Extraordinary Magnetoresistance Effect in Semiconductor/Metal Hybrid Structure

    KAUST Repository

    Sun, Jian

    2013-06-27

    In this dissertation, the extraordinary magnetoresistance (EMR) effect in semiconductor/metal hybrid structures is studied to improve the performance in sensing applications. Using two-dimensional finite element simulations, the geometric dependence of the output sensitivity, which is a more relevant parameter for EMR sensors than the magnetoresistance (MR), is studied. The results show that the optimal geometry in this case is different from the geometry reported before, where the MR ratio was optimized. A device consisting of a semiconductor bar with length/width ratio of 5~10 and having only 2 contacts is found to exhibit the highest sensitivity. A newly developed three-dimensional finite element model is employed to investigate parameters that have been neglected with the two dimensional simulations utilized so far, i.e., thickness of metal shunt and arbitrary semiconductor/metal interface. The simulations show the influence of those parameters on the sensitivity is up to 10 %. The model also enables exploring the EMR effect in planar magnetic fields. In case of a bar device, the sensitivity to planar fields is about 15 % to 20 % of the one to perpendicular fields. 5 A “top-contacted” structure is proposed to reduce the complexity of fabrication, where neither patterning of the semiconductor nor precise alignment is required. A comparison of the new structure with a conventionally fabricated device shows that a similar magnetic field resolution of 24 nT/√Hz is obtained. A new 3-contact device is developed improving the poor low-field sensitivity observed in conventional EMR devices, resulting from its parabolic magnetoresistance response. The 3-contact device provides a considerable boost of the low field response by combining the Hall effect with the EMR effect, resulting in an increase of the output sensitivity by 5 times at 0.01 T compared to a 2-contact device. The results of this dissertation provide new insights into the optimization of EMR devices

  13. BigSUR: large-scale structured urban reconstruction

    KAUST Repository

    Kelly, Tom; Femiani, John; Wonka, Peter; Mitra, Niloy J.

    2017-01-01

    The creation of high-quality semantically parsed 3D models for dense metropolitan areas is a fundamental urban modeling problem. Although recent advances in acquisition techniques and processing algorithms have resulted in large-scale imagery or 3D polygonal reconstructions, such data-sources are typically noisy, and incomplete, with no semantic structure. In this paper, we present an automatic data fusion technique that produces high-quality structured models of city blocks. From coarse polygonal meshes, street-level imagery, and GIS footprints, we formulate a binary integer program that globally balances sources of error to produce semantically parsed mass models with associated facade elements. We demonstrate our system on four city regions of varying complexity; our examples typically contain densely built urban blocks spanning hundreds of buildings. In our largest example, we produce a structured model of 37 city blocks spanning a total of 1,011 buildings at a scale and quality previously impossible to achieve automatically.

  14. BigSUR: large-scale structured urban reconstruction

    KAUST Repository

    Kelly, Tom

    2017-11-22

    The creation of high-quality semantically parsed 3D models for dense metropolitan areas is a fundamental urban modeling problem. Although recent advances in acquisition techniques and processing algorithms have resulted in large-scale imagery or 3D polygonal reconstructions, such data-sources are typically noisy, and incomplete, with no semantic structure. In this paper, we present an automatic data fusion technique that produces high-quality structured models of city blocks. From coarse polygonal meshes, street-level imagery, and GIS footprints, we formulate a binary integer program that globally balances sources of error to produce semantically parsed mass models with associated facade elements. We demonstrate our system on four city regions of varying complexity; our examples typically contain densely built urban blocks spanning hundreds of buildings. In our largest example, we produce a structured model of 37 city blocks spanning a total of 1,011 buildings at a scale and quality previously impossible to achieve automatically.

  15. Multiple plasmonically induced transparency for chip-scale bandpass filters in metallic nanowaveguides

    Science.gov (United States)

    Lu, Hua; Yue, Zengqi; Zhao, Jianlin

    2018-05-01

    We propose and investigate a new kind of bandpass filters based on the plasmonically induced transparency (PIT) effect in a special metal-insulator-metal (MIM) waveguide system. The finite element method (FEM) simulations illustrate that the obvious PIT response can be generated in the metallic nanostructure with the stub and coupled cavities. The lineshape and position of the PIT peak are particularly dependent on the lengths of the stub and coupled cavities, the waveguide width, as well as the coupling distance between the stub and coupled cavities. The numerical simulations are in accordance with the results obtained by the temporal coupled-mode theory. The multi-peak PIT effect can be achieved by integrating multiple coupled cavities into the plasmonic waveguide. This PIT response contributes to the flexible realization of chip-scale multi-channel bandpass filters, which could find crucial applications in highly integrated optical circuits for signal processing.

  16. Electronic structure and dynamics of metal and metal-covered surfaces

    International Nuclear Information System (INIS)

    Yang, Shu.

    1992-01-01

    The unoccupied electronic states of;Ni(111) and Al(111) have been studied using angle-resolved inverse-photoemission (IPE) spectroscopy. We have characterized the n = 1 image potential state on Ni(111) measuring an effective mass of m * /m = 1, consistent with recent two-photon photoemission results as well as theoretical calculations using a phase-analysis model, but differing considerably from the earlier angle-resolved IPE measurements. The bulk related features on Ni(111) observed in our experiment agree very well with an empirical Ni band structure calculation. On Al(111), we have conducted an extensive study of the image potential resonance using both angle-resolved IPE spectroscopy and tunneling spectroscopy with the scanning tunneling microscope. We have used Al as a testing case for both nearly-free-electron model and first-principles calculations were needed to obtain a semi-quantitative account of the bulk features of Al, a simple metal. Improved quantitative agreement occurred when excitation effects were considered. In addition, several surface resonance features have been identified and characterized on Al(111). We have also conducted a geometric structural investigation of a metal overlayer system, Ni/Cu(111), using high-resolution electron energy loss spectroscopy with CO as a probe molecule. The results indicate island formation and two-dimensional mixing at the initial stage of bimetallic interface formation. A new adsorption site with CO bonded to both Ni and Cu has been discovered on the Ni-Cu intermixed surface. IPE results for the Cu-covered Ni(111) surface show an enhanced angular range for the Cu image state. Finally, the unique ability of Auger-photoelectron coincidence spectroscopy to probing local valence electronic structure has been tested in a case study of TaC(111). A novel Auger decay channel has also been observed

  17. Structural versatility of Metal-organic frameworks: Synthesis and Characterization

    KAUST Repository

    Alsadun, Norah S.

    2017-05-01

    Metal-Organic Frameworks (MOFs), an emerging class of porous crystalline materials, have shown promising properties for diverse applications such as catalysis, gas storage and separation. The high degree of tunability of MOFs vs other solid materials enable the assembly of advanced materials with fascinating properties for specific applications. Nevertheless, the precise control in the construction of MOFs at the molecular level remains challenging. Particularly, the formation of pre-targeted multi-nuclear Molecular Building Block (MBB) precursors to unveil materials with targeted structural characteristics is captivating. The aim of my master project in the continuous quest of the group of Prof. Eddaoudi in exploring different synthetic pathways to control the assembly of Rare Earth (RE) based MOF. After giving a general overview about MOFs, I will discuss in this thesis the results of my work on the use of tri-topic oriented organic carboxylate building units with the aim to explore the assembly/construction of new porous RE based MOFs. In chapter 2 will discuss the assembly of 3-c linkers with RE metals was then evaluated based on symmetry and angularity of the three connected linkers. The focus of chapter 3 is cerium based MOFs and heterometallic system, based on 3-c ligands with different length and symmetry. Overall, the incompatibility of 3-c ligands with the 12-c cuo MBB did not allow to any formation of higher neuclearity (˃6), but it has resulted in affecting the connectivity of the cluster.

  18. Synthesis and characterization of metal - metal oxide nano structured electrode materials for electrolysis of water

    International Nuclear Information System (INIS)

    Stoevska-Gogovska, Dafinka

    2012-01-01

    The goal in this Ph.D. study was to prepare hypo-hyper r f-electrocatalysts (aimed for water splitting) without or with reduced precious metals load and then to characterize them, i.e. to prove whether the goal was fulfilled. The synthesized electrocatalysts contain metallic (10% wt.) and metal-oxide phase (18% wt.), applied on a carrier (72% wt). The metallic phase was mainly cobalt one, varied from 0%, 50% wt., 80% wt. and 100%, (the rest up to 100% wt. being Ru). Only in one case the metallic phase contained 3 different metals, i.e. Co, Ru and Pt in a proportion of 80% : 10% : 10%, respectively. Metal oxide phase was TiO 2 (as a crystalline anatase) deposited on a carrier of multi walled carbon nano tubes (MWCNTs). MWCNTs were pre-activated in 28% nitric acid and effect of the activation process was studied, as well. As a reference electro catalyst for hydrogen evolution reaction, corresponding catalyst with metallic phase of pure Pt was prepared. The prepared electrocatalysts were structurally characterized by means of a number of contemporary experimental techniques. So, by means of X-ray Diffraction Analysis (XRD) the crystal state of each catalyst’s phase was determined, and the size of crystal grains was estimated. So, for Pt particles it was found that the size changes from 12 nm, in a systems with Pt as the only metal phase, to 3÷4 nm in systems that contain Co (Co:Pt = 1:1 or 4:1). It was determined as well that the anatase particles size in all synthesized catalysts is cca 4 nm. By means of Photoelectron Microscopy (XPS), the bond energy of catalyst’s components was determined, and the extent of interaction was estimated. The components oxidation state was estimated according to their peak amplitude in the XPS spectrum. So, for the carbon the peaks were identified that indicate the existence of double bond (C=C), as well as C-O, C=0 (and/or C-OH), -0-0*0 and (COO) bonds. The shift of the metallic Ru bond energy was attributed to the existence of

  19. Evaluation of potential relationships between benthic community structure and toxic metals in Laizhou Bay.

    Science.gov (United States)

    Wu, Bin; Song, Jinming; Li, Xuegang

    2014-10-15

    The objective of the present study was to examine the relationships between benthic community structure and toxic metals using bivariate/multivariate techniques at 17 sediment locations in Laizhou Bay, North China. Sediment chemical data were evaluated against geochemical background values and sediment quality guidelines, which identified Cu and As as contaminants of concern with a moderate potential for adverse effects. Benthic community data were subjected to non-metric multidimensional scaling, which generated four groups of stations. Spearman rank correlation was then employed to explore the relationships between the major axes of heavy metals and benthic community structure. However, weak and insignificant correlations were found between these axes, indicating that contaminants of concern may not be the primary explanatory factors. Polychaeta were abundant in southern Laizhou Bay, serving as a warning regarding the health status of the ecosystem. Integrated sediment quality assessment showed sediments from northern central locations were impaired, displaying less diverse benthos and higher metal contamination. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Multi-scale Modelling of Fracture in Open-Cell Metal Foams

    NARCIS (Netherlands)

    Mangipudi, K. R.; Onck, P. R.; Ganghoffer, JF; Pastrone, F

    2010-01-01

    Metal foams possess attractive mechanical properties like high stiffness to weight ratio.When used to build light-weight structures they require a good combination of strength and ductility. They are ductile under compression but rather brittle in tension with a few percent of overall strain to

  1. Resistive switching in ZrO{sub 2} based metal-oxide-metal structures

    Energy Technology Data Exchange (ETDEWEB)

    Kaerkkaenen, Irina

    2014-07-01

    The goal of this work is a deeper understanding of the influence of the (i) metal-oxide-metal (MOM) layer stacks configuration, (ii) the oxide films microstructure, (iii) and their defect structure on the appearance of different switching modes, i.e. unipolar (UP) and bipolar (BP). The first part deals with the fabrication of ZrO{sub 2} thin films by an industrial compatible atomic layer deposition (ALD) process, the chemical, structural and morphological characterization of the films, the growth of ZrO{sub 2}/TiO{sub 2} bilayers, the integration of the layers into metal-oxide-metal (MOM) devices and the electrical characterization with focus on the RS behavior. In the second part the effect of the device structure, in particular the thickness of the electrochemical active electrode (EAE) and the ZrO{sub 2} film morphology, on the RS switching polarity of Pt/ZrO{sub 2}/(EAE) cells is discussed. ZrO{sub 2} films and ZrO{sub 2}/TiO{sub 2} bilayers were grown by ALD and were carefully structurally and electrically characterized. The ZrO{sub 2} films grown from Zr[N(CH{sub 3})C{sub 2}H{sub 5}]{sub 4} (TEMA-Zr) at 240 C were polycrystalline with a mixture of cubic/tetragonal phases. ALD/H{sub 2}O-ZrO{sub 2} films exhibited a random oriented polycrystalline structure, whereas the ALD/O{sub 3}-ZrO{sub 2} films consisted of preferably oriented cubic shaped grains. Pt/ZrO{sub 2}/Ti/Pt structures with a Ti top electrode (TE) thickness of 5 to 20 nm showed unipolar type RS behavior, while by increasing the Ti TE thickness a gradual change of switching polarity from unipolar to bipolar with a completely bipolar type RS behavior for a Ti TE thickness of 40 nm is found. The switching in Pt/ZrO{sub 2}/TiO{sub 2}/Ti/Pt devices was unipolar, comparable to Pt/ZrO{sub 2}/Ti/Pt cells. In contrast, bilayers with the reverse structure, Pt/TiO{sub 2}/ZrO{sub 2}/Ti/Pt, showed non-switching behavior. The effect of the cells stack structure on the polarity of the RS behavior was studied in

  2. Resistive switching in ZrO2 based metal-oxide-metal structures

    International Nuclear Information System (INIS)

    Kaerkkaenen, Irina

    2014-01-01

    The goal of this work is a deeper understanding of the influence of the (i) metal-oxide-metal (MOM) layer stacks configuration, (ii) the oxide films microstructure, (iii) and their defect structure on the appearance of different switching modes, i.e. unipolar (UP) and bipolar (BP). The first part deals with the fabrication of ZrO 2 thin films by an industrial compatible atomic layer deposition (ALD) process, the chemical, structural and morphological characterization of the films, the growth of ZrO 2 /TiO 2 bilayers, the integration of the layers into metal-oxide-metal (MOM) devices and the electrical characterization with focus on the RS behavior. In the second part the effect of the device structure, in particular the thickness of the electrochemical active electrode (EAE) and the ZrO 2 film morphology, on the RS switching polarity of Pt/ZrO 2 /(EAE) cells is discussed. ZrO 2 films and ZrO 2 /TiO 2 bilayers were grown by ALD and were carefully structurally and electrically characterized. The ZrO 2 films grown from Zr[N(CH 3 )C 2 H 5 ] 4 (TEMA-Zr) at 240 C were polycrystalline with a mixture of cubic/tetragonal phases. ALD/H 2 O-ZrO 2 films exhibited a random oriented polycrystalline structure, whereas the ALD/O 3 -ZrO 2 films consisted of preferably oriented cubic shaped grains. Pt/ZrO 2 /Ti/Pt structures with a Ti top electrode (TE) thickness of 5 to 20 nm showed unipolar type RS behavior, while by increasing the Ti TE thickness a gradual change of switching polarity from unipolar to bipolar with a completely bipolar type RS behavior for a Ti TE thickness of 40 nm is found. The switching in Pt/ZrO 2 /TiO 2 /Ti/Pt devices was unipolar, comparable to Pt/ZrO 2 /Ti/Pt cells. In contrast, bilayers with the reverse structure, Pt/TiO 2 /ZrO 2 /Ti/Pt, showed non-switching behavior. The effect of the cells stack structure on the polarity of the RS behavior was studied in detail for 20 nm thick ZrO 2 films grown by an ozone based ALD process and integrated into Pt/ZrO 2

  3. Development of a production scale purification of Ge-68 from irradiated gallium metal

    Energy Technology Data Exchange (ETDEWEB)

    Fitzsimmons, Jonathan M.; Mausner, Leonard [Brookhaven National Laboratory, Upton, NY (United States)

    2015-05-01

    Germanium-68 (Ge-68) is produced by proton irradiation of a gallium metal target and purified by organic extraction. The Ge-68 can be used in a medical isotope generator to produce Gallium-68 (Ga-68) which can be used to radiolabel PET imaging agents. The emerging use of Ge-68 in the Ga-68 medical isotope generator has caused us to develop a new purification method for Ge-68 that does not use toxic solvents. The purpose of this work was to develop a production scale separation of Ge-68 that utilizes a leaching step to remove a bulk of the gallium metal, followed by purification with Sephadex {sup copyright} G25. Production scale (300 mCi) purification was performed with the new method. The purified Ge-68 contained the highest radioactivity concentration of Ge-68 produced at BNL; the sample meet Department of Energy specifications and the method had an excellent recovery of Ge-68.

  4. Vessel supporting structure for liquid metal cooled nuclear reactors

    International Nuclear Information System (INIS)

    Mahe, Armel; Jullien, Georges

    1974-01-01

    The supporting structure described is for a liquid metal cooled nuclear reactor, the vessel being of the type suspended to the end slab of the reactor. It includes a ring connected at one of its two ends to a single shell and at the other end to two shells. One of these three shells connected to the lower end of the ring forms the upper part of the vessel to be supported. The two other shells are embedded in two sperate parts of the slab. The ring and shell assembly is housed in an annular space provided in the end slab and separating it into two parts, namely a central part and a peripheral part [fr

  5. Metallization of high aspect ratio, out of plane structures

    DEFF Research Database (Denmark)

    Vazquez, Patricia; Dimaki, Maria; Svendsen, Winnie Edith

    2009-01-01

    This work is dedicated to developing a novel three dimensional structure for electrochemical measurements in neuronal studies. The final prototype will allow not only for the study and culture on chip of neuronal cells, but also of brain tissue. The use of out-of-plane electrodes instead of planar...... ones increases the sensitivity of the system and increases the signal-to-noise ratio in the recorded signals, due to the higher availability of surface area. The main bottleneck of the out-of-plane electrode fabrication lies in the metallization process for transforming them into active electrodes......, since the coverage of the side walls of almost vertical pillars is not trivial by standard processes in a clean room facility. This paper will discuss the different steps taken towards this goal and present the results that we have obtained so far....

  6. Mechanical properties and the laminate structure of Arapaima gigas scales.

    Science.gov (United States)

    Lin, Y S; Wei, C T; Olevsky, E A; Meyers, Marc A

    2011-10-01

    The Arapaima gigas scales play an important role in protecting this large Amazon basin fish against predators such as the piranha. They have a laminate composite structure composed of an external mineralized layer and internal lamellae with thickness of 50-60 μm each and composed of collagen fibers with ~1 μm diameter. The alignment of collagen fibers is consistent in each individual layer but varies from layer to layer, forming a non-orthogonal plywood structure, known as Bouligand stacking. X-ray diffraction revealed that the external surface of the scale contains calcium-deficient hydroxyapatite. EDS results confirm that the percentage of calcium is higher in the external layer. The micro-indentation hardness of the external layer (550 MPa) is considerably higher than that of the internal layer (200 MPa), consistent with its higher degree of mineralization. Tensile testing of the scales carried out in the dry and wet conditions shows that the strength and stiffness are hydration dependent. As is the case of most biological materials, the elastic modulus of the scale is strain-rate dependent. The strain-rate dependence of the elastic modulus, as expressed by the Ramberg-Osgood equation, is equal to 0.26, approximately ten times higher than that of bone. This is attributed to the higher fraction of collagen in the scales and to the high degree of hydration (30% H(2)O). Deproteinization of the scale reveals the structure of the mineral component consisting of an interconnected network of platelets with a thickness of ~50 nm and diameter of ~500 nm. Copyright © 2011 Elsevier Ltd. All rights reserved.

  7. Noise-induced hearing loss in small-scale metal industry in Nepal.

    Science.gov (United States)

    Whittaker, J D; Robinson, T; Acharya, A; Singh, D; Smith, M

    2014-10-01

    There has been no previous research to demonstrate the risk of noise-induced hearing loss in industry in Nepal. Limited research on occupational noise-induced hearing loss has been conducted within small-scale industry worldwide, despite it being a substantial and growing cause of deafness in the developing world. The study involved a cross-sectional audiometric assessment, with questionnaire-based examinations of noise and occupational history, and workplace noise level assessment. A total of 115 metal workers and 123 hotel workers (control subjects) were recruited. Noise-induced hearing loss prevalence was 30.4 per cent in metal workers and 4.1 per cent in hotel workers, with a significant odds ratio of 10.3. Except for age and time in occupation, none of the demographic factors were significant in predicting outcomes in regression analyses. When adjusted for this finding, and previous noise-exposed occupations, the odds ratio was 13.8. Workplace noise was significantly different between the groups, ranging from 65.3 to 84.7 dBA in metal worker sites, and from 51.4 to 68.6 dBA in the control sites. Metal workers appear to have a greater risk of noise-induced hearing loss than controls. Additional research on occupational noise-induced hearing loss in Nepal and small-scale industry globally is needed.

  8. Development of ultralight, super-elastic, hierarchical metallic meta-structures with i3DP technology

    Science.gov (United States)

    Zhang, Dongxing; Xiao, Junfeng; Moorlag, Carolyn; Guo, Qiuquan; Yang, Jun

    2017-11-01

    Lightweight and mechanically robust materials show promising applications in thermal insulation, energy absorption, and battery catalyst supports. This study demonstrates an effective method for creation of ultralight metallic structures based on initiator-integrated 3D printing technology (i3DP), which provides a possible platform to design the materials with the best geometric parameters and desired mechanical performance. In this study, ultralight Ni foams with 3D interconnected hollow tubes were fabricated, consisting of hierarchical features spanning three scale orders ranging from submicron to centimeter. The resultant materials can achieve an ultralight density of as low as 5.1 mg cm-3 and nearly recover after significant compression up to 50%. Due to a high compression ratio, the hierarchical structure exhibits superior properties in terms of energy absorption and mechanical efficiency. The relationship of structural parameters and mechanical response was established. The ability of achieving ultralight density printing approach provides metallic structures with substantial benefits from the hierarchical design and fabrication flexibility to ultralight applications.

  9. Handbook of damage mechanics nano to macro scale for materials and structures

    CERN Document Server

    2015-01-01

    This authoritative reference provides comprehensive coverage of the topics of damage and healing mechanics. Computational modeling of constitutive equations is provided as well as solved examples in engineering applications. A wide range of materials that engineers may encounter are covered, including metals, composites, ceramics, polymers, biomaterials, and nanomaterials. The internationally recognized team of contributors employ a consistent and systematic approach, offering readers a user-friendly reference that is ideal for frequent consultation. Handbook of Damage Mechanics: Nano to Macro Scale for Materials and Structures is ideal for graduate students and faculty, researchers, and professionals in the fields of Mechanical Engineering, Civil Engineering, Aerospace Engineering, Materials Science, and Engineering Mechanics.

  10. Electron confinement in thin metal films. Structure, morphology and interactions

    Energy Technology Data Exchange (ETDEWEB)

    Dil, J.H.

    2006-05-15

    This thesis investigates the interplay between reduced dimensionality, electronic structure, and interface effects in ultrathin metal layers (Pb, In, Al) on a variety of substrates (Si, Cu, graphite). These layers can be grown with such a perfection that electron confinement in the direction normal to the film leads to the occurrence of quantum well states in their valence bands. These quantum well states are studied in detail, and their behaviour with film thickness, on different substrates, and other parameters of growth are used here to characterise a variety of physical properties of such nanoscale systems. The sections of the thesis deal with a determination of quantum well state energies for a large data set on different systems, the interplay between film morphology and electronic structure, and the influence of substrate electronic structure on their band shape; finally, new ground is broken by demonstrating electron localization and correlation effects, and the possibility to measure the influence of electron-phonon coupling in bulk bands. (orig.)

  11. Structural and energetic characteristics of alkali metal hexachlorouranates (5)

    International Nuclear Information System (INIS)

    Kudryashov, V.L.; Suglobova, I.G.; Chirkst, D.Eh.

    1978-01-01

    Structure types and lattice parameters of alkali metal hexachlorouranates (5) have been determined by indicating the X-ray diffraction patterns of polycrystals. α-NaVCl 6 has a cubic structure of the Csub(s)PFsub(6) type; β-NaVCl 6 -trigonal lattice of the LiSbF 6 type; KVCl 6 and RbVCl 6 crystallize in the RbPaF 6 structure type; CsVCl 6 is isomorphous to CsPF 6 . Enthalpy values of hexachlorouranates (5) dissolution in 0.5% FeCl 3 solution and in 2% HCl have been measured and the standard enthalpy values of their formation have been calculated. The energies of crystal lattices and of the uranium-uranium-chlorine bonds have been calculated. When uranium coordination number is 6 the energy of the uranium-chlorine bond is 99.6+-0.5; when this number is 8 the energy equals 101.9+-0.5 kcal/mol

  12. Large-scale structure in the universe: Theory vs observations

    International Nuclear Information System (INIS)

    Kashlinsky, A.; Jones, B.J.T.

    1990-01-01

    A variety of observations constrain models of the origin of large scale cosmic structures. We review here the elements of current theories and comment in detail on which of the current observational data provide the principal constraints. We point out that enough observational data have accumulated to constrain (and perhaps determine) the power spectrum of primordial density fluctuations over a very large range of scales. We discuss the theories in the light of observational data and focus on the potential of future observations in providing even (and ever) tighter constraints. (orig.)

  13. METAL STRUCTURES SURVIVABILITY ASSESSMENT WHEN SIMULATING SERVICE CONDITIONS

    Directory of Open Access Journals (Sweden)

    O. M. Gibalenko

    2016-04-01

    Full Text Available Purpose. The research is aimed at improving the quality and reliability of measures of primary and secondary protection of metal structures at manufacturing companies, to prolong the service life of cyclically loaded structures of production facilities taking into account the corrosion level of danger. Methodology. Authors proposed to use the principles of process approach for statement and realization of management problems of operational service life in corrosion environments. The principles of ensuring reliability on the level of corrosion danger include justification of stages sequence for survivability assessment of a structural metalwork based on the strategy of DMAIC (define, measure, analyze, improve, control: definitions, measurements, analysis, improvement and monitoring of measures of primary and secondary corrosion protection. Findings. Providing control measures from corrosion according to the criterion of corrosion danger allows providing requirements of reliability of structural metalwork based on calculated provisions of the limiting conditions method and solving the problems of management in technological safety during the expected service life of structural objects. Originality. The developed strategy of maintenance of the industrial facilities on an actual state includes the process approach to resource management by creation of system for the account and the functional controlling, risk analysis and regulation of technological safety in production facilities of the enterprises. Realization of the principles of process approach to management of technological safety at the object level is directed to perfecting of tools and methods of anticorrosive protection, extension of a resource taking into account indexes of survivability (, and justification of program measures to ensure the reliability of enterprises(PER. Practical value. On the basis of process approach to quality and reliability management, generalizations of the

  14. A three-dimensional meso-scale modeling for helium bubble growth in metals

    International Nuclear Information System (INIS)

    Suzudo, T.; Kaburaki, H.; Wakai, E.

    2007-01-01

    A three-dimensional meso-scale computer model using a Monte-Carlo simulation method has been proposed to simulate the helium bubble growth in metals. The primary merit of this model is that it enables the visual comparison between the microstructure observed by the TEM imaging and those by calculations. The modeling is so simple that one can control easily the calculation by tuning parameters. The simulation results are confirmed by the ideal gas law and the capillary relation. helium bubble growth, meso-scale modeling, Monte-Carlo simulation, the ideal gas law and the capillary relation. (authors)

  15. Large-scale structures in turbulent Couette flow

    Science.gov (United States)

    Kim, Jung Hoon; Lee, Jae Hwa

    2016-11-01

    Direct numerical simulation of fully developed turbulent Couette flow is performed with a large computational domain in the streamwise and spanwise directions (40 πh and 6 πh) to investigate streamwise-scale growth mechanism of the streamwise velocity fluctuating structures in the core region, where h is the channel half height. It is shown that long streamwise-scale structures (> 3 h) are highly energetic and they contribute to more than 80% of the turbulent kinetic energy and Reynolds shear stress, compared to previous studies in canonical Poiseuille flows. Instantaneous and statistical analysis show that negative-u' structures on the bottom wall in the Couette flow continuously grow in the streamwise direction due to mean shear, and they penetrate to the opposite moving wall. The geometric center of the log layer is observed in the centerline with a dominant outer peak in streamwise spectrum, and the maximum streamwise extent for structure is found in the centerline, similar to previous observation in turbulent Poiseuille flows at high Reynolds number. Further inspection of time-evolving instantaneous fields clearly exhibits that adjacent long structures combine to form a longer structure in the centerline. This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (NRF-2014R1A1A2057031).

  16. Two-scale characterization of deformation-induced anisotropy of polycrystalline metals

    International Nuclear Information System (INIS)

    Watanabe, Ikumu; Terada, Kenjiro

    2004-01-01

    The anisotropic macro-scale mechanical behavior of polycrystalline metals is characterized by incorporating the micro-scale constitutive model of single crystal plasticity into the two-scale modeling based on the mathematical homogenization theory. The two-scale simulations are conducted to analyze the macro-scale anisotropy induced by micro-scale plastic deformation of the polycrystalline aggregate. In the simulations, the micro-scale representative volume element (RVE) of a polycrystalline aggregate is uniformly loaded in one direction, unloaded to macroscopically zero stress in a certain stage of deformation and then re-loaded in the different directions. The last re-loading calculations provide different macro-scale responses of the RVE, which can be the appearance of material anisotropy. We then try to examine the effects of the intergranular and intragranular behaviors on the anisotropy by means of various illustrations of plastic deformation process in stead of the use of pole figures for the change of crystallographic orientations

  17. High aspect ratio 10-nm-scale nanoaperture arrays with template-guided metal dewetting.

    Science.gov (United States)

    Wang, Ying Min; Lu, Liangxing; Srinivasan, Bharathi Madurai; Asbahi, Mohamed; Zhang, Yong Wei; Yang, Joel K W

    2015-04-10

    We introduce an approach to fabricate ordered arrays of 10-nm-scale silica-filled apertures in a metal film without etching or liftoff. Using low temperature (dewetting of metal films guided by nano-patterned templates, apertures with aspect ratios up to 5:1 are demonstrated. Apertures form spontaneously during the thermal process without need for further processing. Although the phenomenon of dewetting has been well studied, this is the first demonstration of its use in the fabrication of nanoapertures in a spatially controllable manner. In particular, the achievement of 10-nm length-scale patterning at high aspect ratio with thermal dewetting is unprecedented. By varying the nanotemplate design, we show its strong influence over the positions and sizes of the nanoapertures. In addition, we construct a three-dimensional phase field model of metal dewetting on nano-patterned substrates. The simulation data obtained closely corroborates our experimental results and reveals new insights to template dewetting at the nanoscale. Taken together, this fabrication method and simulation model form a complete toolbox for 10-nm-scale patterning using template-guided dewetting that could be extended to a wide range of material systems and geometries.

  18. Local structure and structural signature underlying properties in metallic glasses and supercooled liquids

    Science.gov (United States)

    Ding, Jun

    Metallic glasses (MGs), discovered five decades ago as a newcomer in the family of glasses, are of current interest because of their unique structures and properties. There are also many fundamental materials science issues that remain unresolved for metallic glasses, as well as their predecessor above glass transition temperature, the supercooled liquids. In particular, it is a major challenge to characterize the local structure and unveil the structure-property relationship for these amorphous materials. This thesis presents a systematic study of the local structure of metallic glasses as well as supercooled liquids via classical and ab initio molecular dynamics simulations. Three typical MG models are chosen as representative candidate, Cu64 Zr36, Pd82Si18 and Mg65Cu 25Y10 systems, while the former is dominant with full icosahedra short-range order and the prism-type short-range order dominate for latter two. Furthermore, we move to unravel the underlying structural signature among several properties in metallic glasses. Firstly, the temperature dependence of specific heat and liquid fragility between Cu-Zr and Mg-Cu-Y (also Pd-Si) in supercooled liquids are quite distinct: gradual versus fast evolution of specific heat and viscosity/relaxation time with undercooling. Their local structural ordering are found to relate with the temperature dependence of specific heat and relaxation time. Then elastic heterogeneity has been studied to correlate with local structure in Cu-Zr MGs. Specifically, this part covers how the degree of elastic deformation correlates with the internal structure at the atomic level, how to quantitatively evaluate the local solidity/liquidity in MGs and how the network of interpenetrating connection of icosahedra determine the corresponding shear modulus. Finally, we have illustrated the structure signature of quasi-localized low-frequency vibrational normal modes, which resides the intriguing vibrational properties in MGs. Specifically, the

  19. Density functional theory studies of screw dislocation core structures in bcc metals

    DEFF Research Database (Denmark)

    Frederiksen, Søren Lund; Jacobsen, Karsten Wedel

    2003-01-01

    The core structures of (I 11) screw dislocations in bee metals are studied using density functional theory in the local-density approximation. For Mo and Fe, direct calculations of the core structures show the cores to be symmetric with respect to 180degrees rotations around an axis perpendicular...... to symmetric core structures for all the studied metals....

  20. Large-scale decontamination and decommissioning technology demonstration project at a former uranium metal production facility

    International Nuclear Information System (INIS)

    Martineit, R.A.; Borgman, T.D.; Peters, M.S.; Stebbins, L.L.

    1997-01-01

    The Department of Energy's (DOE) Office of Science and Technology Decontamination and Decommissioning (D ampersand D) Focus Area, led by the Federal Energy Technology Center, has been charged with improving upon baseline D ampersand D technologies with the goal of demonstrating and validating more cost-effective and safer technologies to characterize, deactivate, survey, decontaminate, dismantle, and dispose of surplus structures, buildings, and their contents at DOE sites. The D ampersand D Focus Area's approach to verifying the benefits of the improved D ampersand D technologies is to use them in large-scale technology demonstration (LSTD) projects at several DOE sites. The Fernald Environmental Management Project (FEMP) was selected to host one of the first three LSTD's awarded by the D ampersand D Focus Area. The FEMP is a DOE facility near Cincinnati, Ohio, that was formerly engaged in the production of high quality uranium metal. The FEMP is a Superfund site which has completed its RUFS process and is currently undergoing environmental restoration. With the FEMP's selection to host an LSTD, the FEMP was immediately faced with some challenges. The primary challenge was that this LSTD was to be integrated into the FEMP's Plant 1 D ampersand D Project which was an ongoing D ampersand D Project for which a firm fixed price contract had been issued to the D ampersand D Contractor. Thus, interferences with the baseline D ampersand D project could have significant financial implications. Other challenges include defining and selecting meaningful technology demonstrations, finding/selecting technology providers, and integrating the technology into the baseline D ampersand D project. To date, twelve technologies have been selected, and six have been demonstrated. The technology demonstrations have yielded a high proportion of open-quotes winners.close quotes All demonstrated, technologies will be evaluated for incorporation into the FEMP's baseline D ampersand D

  1. Geophysical mapping of complex glaciogenic large-scale structures

    DEFF Research Database (Denmark)

    Høyer, Anne-Sophie

    2013-01-01

    This thesis presents the main results of a four year PhD study concerning the use of geophysical data in geological mapping. The study is related to the Geocenter project, “KOMPLEKS”, which focuses on the mapping of complex, large-scale geological structures. The study area is approximately 100 km2...... data types and co-interpret them in order to improve our geological understanding. However, in order to perform this successfully, methodological considerations are necessary. For instance, a structure indicated by a reflection in the seismic data is not always apparent in the resistivity data...... information) can be collected. The geophysical data are used together with geological analyses from boreholes and pits to interpret the geological history of the hill-island. The geophysical data reveal that the glaciotectonic structures truncate at the surface. The directions of the structures were mapped...

  2. (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.

  3. Surface changes of metal alloys and high-strength ceramics after ultrasonic scaling and intraoral polishing.

    Science.gov (United States)

    Yoon, Hyung-In; Noh, Hyo-Mi; Park, Eun-Jin

    2017-06-01

    This study was to evaluate the effect of repeated ultrasonic scaling and surface polishing with intraoral polishing kits on the surface roughness of three different restorative materials. A total of 15 identical discs were fabricated with three different materials. The ultrasonic scaling was conducted for 20 seconds on the test surfaces. Subsequently, a multi-step polishing with recommended intraoral polishing kit was performed for 30 seconds. The 3D profiler and scanning electron microscopy were used to investigate surface integrity before scaling (pristine), after scaling, and after surface polishing for each material. Non-parametric Friedman and Wilcoxon signed rank sum tests were employed to statistically evaluate surface roughness changes of the pristine, scaled, and polished specimens. The level of significance was set at 0.05. Surface roughness values before scaling (pristine), after scaling, and polishing of the metal alloys were 3.02±0.34 µm, 2.44±0.72 µm, and 3.49±0.72 µm, respectively. Surface roughness of lithium disilicate increased from 2.35±1.05 µm (pristine) to 28.54±9.64 µm (scaling), and further increased after polishing (56.66±9.12 µm, P scaling (from 1.65±0.42 µm to 101.37±18.75 µm), while its surface roughness decreased after polishing (29.57±18.86 µm, P scaling significantly changed the surface integrities of lithium disilicate and zirconia. Surface polishing with multi-step intraoral kit after repeated scaling was only effective for the zirconia, while it was not for lithium disilicate.

  4. Spatial structure and scaling of macropores in hydrological process at small catchment scale

    Science.gov (United States)

    Silasari, Rasmiaditya; Broer, Martine; Blöschl, Günter

    2013-04-01

    During rainfall events, the formation of overland flow can occur under the circumstances of saturation excess and/or infiltration excess. These conditions are affected by the soil moisture state which represents the soil water content in micropores and macropores. Macropores act as pathway for the preferential flows and have been widely studied locally. However, very little is known about their spatial structure and conductivity of macropores and other flow characteristic at the catchment scale. This study will analyze these characteristics to better understand its importance in hydrological processes. The research will be conducted in Petzenkirchen Hydrological Open Air Laboratory (HOAL), a 64 ha catchment located 100 km west of Vienna. The land use is divided between arable land (87%), pasture (5%), forest (6%) and paved surfaces (2%). Video cameras will be installed on an agricultural field to monitor the overland flow pattern during rainfall events. A wireless soil moisture network is also installed within the monitored area. These field data will be combined to analyze the soil moisture state and the responding surface runoff occurrence. The variability of the macropores spatial structure of the observed area (field scale) then will be assessed based on the topography and soil data. Soil characteristics will be supported with laboratory experiments on soil matrix flow to obtain proper definitions of the spatial structure of macropores and its variability. A coupled physically based distributed model of surface and subsurface flow will be used to simulate the variability of macropores spatial structure and its effect on the flow behaviour. This model will be validated by simulating the observed rainfall events. Upscaling from field scale to catchment scale will be done to understand the effect of macropores variability on larger scales by applying spatial stochastic methods. The first phase in this study is the installation and monitoring configuration of video

  5. The limiting layer of fish scales: Structure and properties.

    Science.gov (United States)

    Arola, D; Murcia, S; Stossel, M; Pahuja, R; Linley, T; Devaraj, Arun; Ramulu, M; Ossa, E A; Wang, J

    2018-02-01

    Fish scales serve as a flexible natural armor that have received increasing attention across the materials community. Most efforts in this area have focused on the composite structure of the predominately organic elasmodine, and limited work addresses the highly mineralized external portion known as the Limiting Layer (LL). This coating serves as the first barrier to external threats and plays an important role in resisting puncture. In this investigation the structure, composition and mechanical behavior of the LL were explored for three different fish, including the arapaima (Arapaima gigas), the tarpon (Megalops atlanticus) and the carp (Cyprinus carpio). The scales of these three fish have received the most attention within the materials community. Features of the LL were evaluated with respect to anatomical position to distinguish site-specific functional differences. Results show that there are significant differences in the surface morphology of the LL from posterior and anterior regions in the scales, and between the three fish species. The calcium to phosphorus ratio and the mineral to collagen ratios of the LL are not equivalent among the three fish. Results from nanoindentation showed that the LL of tarpon scales is the hardest, followed by the carp and the arapaima and the differences in hardness are related to the apatite structure, possibly induced by the growth rate and environment of each fish. The natural armor of fish, turtles and other animals, has become a topic of substantial scientific interest. The majority of investigations have focused on the more highly organic layer known as the elasmodine. The present study addresses the highly mineralized external portion known as the Limiting Layer (LL). Specifically, the structure, composition and mechanical behavior of the LL were explored for three different fish, including the arapaima (Arapaima gigas), the tarpon (Megalops atlanticus) and the carp (Cyprinus carpio). Results show that there are

  6. Lagrangian space consistency relation for large scale structure

    International Nuclear Information System (INIS)

    Horn, Bart; Hui, Lam; Xiao, Xiao

    2015-01-01

    Consistency relations, which relate the squeezed limit of an (N+1)-point correlation function to an N-point function, are non-perturbative symmetry statements that hold even if the associated high momentum modes are deep in the nonlinear regime and astrophysically complex. Recently, Kehagias and Riotto and Peloso and Pietroni discovered a consistency relation applicable to large scale structure. We show that this can be recast into a simple physical statement in Lagrangian space: that the squeezed correlation function (suitably normalized) vanishes. This holds regardless of whether the correlation observables are at the same time or not, and regardless of whether multiple-streaming is present. The simplicity of this statement suggests that an analytic understanding of large scale structure in the nonlinear regime may be particularly promising in Lagrangian space

  7. Scale and structure of capitated physician organizations in California.

    Science.gov (United States)

    Rosenthal, M B; Frank, R G; Buchanan, J L; Epstein, A M

    2001-01-01

    Physician organizations in California broke new ground in the 1980s by accepting capitated contracts and taking on utilization management functions. In this paper we present new data that document the scale, structure, and vertical affiliations of physician organizations that accept capitation in California. We provide information on capitated enrollment, the share of revenue derived by physician organizations from capitation contracts, and the scope of risk sharing with health maintenance organizations (HMOs). Capitation contracts and risk sharing dominate payment arrangements with HMOs. Physician organizations appear to have responded to capitation by affiliating with hospitals and management companies, adopting hybrid organizational structures, and consolidating into larger entities.

  8. Small Scales Structure of MHD Turbulence, Tubes or Ribbons?

    Science.gov (United States)

    Verdini, A.; Grappin, R.; Alexandrova, O.; Lion, S.

    2017-12-01

    Observations in the solar wind indicate that turbulent eddies change their anisotropy with scales [1]. At large scales eddies are elongated in direction perpendicular to the mean-field axis. This is the result of solar wind expansion that affects both the anisotropy and single-spacecraft measurments [2,3]. At small scales one recovers the anisotropy expected in strong MHD turbulence and constrained by the so-called critical balance: eddies are elongated along the mean-field axis. However, the actual eddy shape is intermediate between tubes and ribbons, preventing us to discriminate between two concurrent theories that predict 2D axysimmetric anisotropy [4] or full 3D anisotropy [5]. We analyse 10 years of WIND data and apply a numerically-derived criterion to select intervals in which solar wind expansion is expected to be negligible. By computing the anisotropy of structure functions with respect to the local mean field we obtain for the first time scaling relations that are in agreement with full 3D anisotropy, i.e. ribbons-like structures. However, we cannot obtain the expected scaling relations for the alignment angle which, according to the theory, is physically responsible for the departure from axisymmetry. In addition, a further change of anisotropy occurs well above the proton scales. We discuss the implication of our findings and how numerical simulations can help interpreting the observed spectral anisotropy. [1] Chen et al., ApJ, 768:120, 2012 [2] Verdini & Grappin, ApJL, 808:L34, 2015 [3] Vech & Chen, ApJL, 832:L16, 2016 [4] Goldreich & Shridar, ApJ, 438:763, 1995 [5] Boldyrev, ApJL, 626:L37, 2005

  9. Feelings about culture scales: development, factor structure, reliability, and validity.

    Science.gov (United States)

    Maffini, Cara S; Wong, Y Joel

    2015-04-01

    Although measures of cultural identity, values, and behavior exist in the multicultural psychological literature, there is currently no measure that explicitly assesses ethnic minority individuals' positive and negative affect toward culture. Therefore, we developed 2 new measures called the Feelings About Culture Scale--Ethnic Culture and Feelings About Culture Scale--Mainstream American Culture and tested their psychometric properties. In 6 studies, we piloted the measures, conducted factor analyses to clarify their factor structure, and examined reliability and validity. The factor structure revealed 2 dimensions reflecting positive and negative affect for each measure. Results provided evidence for convergent, discriminant, criterion-related, and incremental validity as well as the reliability of the scales. The Feelings About Culture Scales are the first known measures to examine both positive and negative affect toward an individual's ethnic culture and mainstream American culture. The focus on affect captures dimensions of psychological experiences that differ from cognitive and behavioral constructs often used to measure cultural orientation. These measures can serve as a valuable contribution to both research and counseling by providing insight into the nuanced affective experiences ethnic minority individuals have toward culture. (c) 2015 APA, all rights reserved).

  10. FACTOR STRUCTURE OF THE BRIEF NEGATIVE SYMPTOM SCALE

    OpenAIRE

    Strauss, Gregory P.; Hong, L. Elliot; Gold, James M.; Buchanan, Robert W.; McMahon, Robert P.; Keller, William R.; Fischer, Bernard A.; Catalano, Lauren T.; Culbreth, Adam J.; Carpenter, William T.; Kirkpatrick, Brian

    2012-01-01

    The current study examined the factor structure of the Brief Negative Symptom Scale (BNSS), a next-generation negative symptom rating instrument developed in response to the NIMH-sponsored Consensus Development Conference on Negative Symptoms. Participants included 146 individuals with a DSM-IV diagnosis of schizophrenia or schizoaffective disorder. Principal axis factoring indicated two distinct factors explaining 68.7% of the variance. Similar to previous findings, the factors reflected mot...

  11. Analysis of small scale turbulent structures and the effect of spatial scales on gas transfer

    Science.gov (United States)

    Schnieders, Jana; Garbe, Christoph

    2014-05-01

    The exchange of gases through the air-sea interface strongly depends on environmental conditions such as wind stress and waves which in turn generate near surface turbulence. Near surface turbulence is a main driver of surface divergence which has been shown to cause highly variable transfer rates on relatively small spatial scales. Due to the cool skin of the ocean, heat can be used as a tracer to detect areas of surface convergence and thus gather information about size and intensity of a turbulent process. We use infrared imagery to visualize near surface aqueous turbulence and determine the impact of turbulent scales on exchange rates. Through the high temporal and spatial resolution of these types of measurements spatial scales as well as surface dynamics can be captured. The surface heat pattern is formed by distinct structures on two scales - small-scale short lived structures termed fish scales and larger scale cold streaks that are consistent with the footprints of Langmuir Circulations. There are two key characteristics of the observed surface heat patterns: 1. The surface heat patterns show characteristic features of scales. 2. The structure of these patterns change with increasing wind stress and surface conditions. In [2] turbulent cell sizes have been shown to systematically decrease with increasing wind speed until a saturation at u* = 0.7 cm/s is reached. Results suggest a saturation in the tangential stress. Similar behaviour has been observed by [1] for gas transfer measurements at higher wind speeds. In this contribution a new model to estimate the heat flux is applied which is based on the measured turbulent cell size und surface velocities. This approach allows the direct comparison of the net effect on heat flux of eddies of different sizes and a comparison to gas transfer measurements. Linking transport models with thermographic measurements, transfer velocities can be computed. In this contribution, we will quantify the effect of small scale

  12. Full scale dynamic testing of Kozloduy NPP unit 5 structures

    International Nuclear Information System (INIS)

    Da Rin, E.M.

    1999-01-01

    As described in this report, the Kozloduy NPP western site has been subjected to low level earthquake-like ground shaking - through appropriately devised underground explosions - and the resulting dynamic response of the NPP reactor Unit 5 important structures appropriately measured and digitally recorded. In-situ free-field response was measured concurrently more than 100 m aside the main structures of interest. The collected experimental data provide reference information on the actual dynamic characteristics of the Kozloduy NPPs main structures, as well as give some useful indications on the dynamic soil-structure interaction effects for the case of low level excitation. Performing the present full-scale dynamic structural testing activities took advantage of the experience gained by ISMES during similar tests, lately performed in Italy and abroad (in particular, at the Paks NPP in 1994). The IAEA promoted dynamic testing of the Kozloduy NPP Unit 5 by means of pertinently designed buried explosion-induced ground motions which has provided a large amount of data on the dynamic structural response of its major structures. In the present report, the conducted investigation is described and the acquired digital data presented. A series of preliminary analyses were undertaken for examining in detail the ground excitation levels that were produced by these weak earthquake simulation experiments, as well as for inferring some structural characteristics and behaviour information from the collected data. These analyses ascertained the high quality of the collected digital data. Presumably due to soil-structure dynamic interaction effects, reduced excitation levels were observed at the reactor building foundation raft level with respect to the concurrent free-field ground motions. measured at a 140 m distance from the reactor building centre. Further more detailed and systematic analyses are worthwhile to be performed for extracting more complete information about the

  13. 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.)

  14. The scale of population structure in Arabidopsis thaliana.

    Directory of Open Access Journals (Sweden)

    Alexander Platt

    2010-02-01

    Full Text Available The population structure of an organism reflects its evolutionary history and influences its evolutionary trajectory. It constrains the combination of genetic diversity and reveals patterns of past gene flow. Understanding it is a prerequisite for detecting genomic regions under selection, predicting the effect of population disturbances, or modeling gene flow. This paper examines the detailed global population structure of Arabidopsis thaliana. Using a set of 5,707 plants collected from around the globe and genotyped at 149 SNPs, we show that while A. thaliana as a species self-fertilizes 97% of the time, there is considerable variation among local groups. This level of outcrossing greatly limits observed heterozygosity but is sufficient to generate considerable local haplotypic diversity. We also find that in its native Eurasian range A. thaliana exhibits continuous isolation by distance at every geographic scale without natural breaks corresponding to classical notions of populations. By contrast, in North America, where it exists as an exotic species, A. thaliana exhibits little or no population structure at a continental scale but local isolation by distance that extends hundreds of km. This suggests a pattern for the development of isolation by distance that can establish itself shortly after an organism fills a new habitat range. It also raises questions about the general applicability of many standard population genetics models. Any model based on discrete clusters of interchangeable individuals will be an uneasy fit to organisms like A. thaliana which exhibit continuous isolation by distance on many scales.

  15. Impact of small-scale structures on estuarine circulation

    Science.gov (United States)

    Liu, Zhuo; Zhang, Yinglong J.; Wang, Harry V.; Huang, Hai; Wang, Zhengui; Ye, Fei; Sisson, Mac

    2018-05-01

    We present a novel and challenging application of a 3D estuary-shelf model to the study of the collective impact of many small-scale structures (bridge pilings of 1 m × 2 m in size) on larger-scale circulation in a tributary (James River) of Chesapeake Bay. We first demonstrate that the model is capable of effectively transitioning grid resolution from 400 m down to 1 m near the pilings without introducing undue numerical artifact. We then show that despite their small sizes and collectively small area as compared to the total channel cross-sectional area, the pilings exert a noticeable impact on the large-scale circulation, and also create a rich structure of vortices and wakes around the pilings. As a result, the water quality and local sedimentation patterns near the bridge piling area are likely to be affected as well. However, when evaluating over the entire waterbody of the project area, the near field effects are weighed with the areal percentage which is small compared to that for the larger unaffected area, and therefore the impact on the lower James River as a whole becomes relatively insignificant. The study highlights the importance of the use of high resolution in assessing the near-field impact of structures.

  16. Structural studies on metal-containing enzymes: T4 endonuclease VII and D. gigas formate dehydrogenase

    NARCIS (Netherlands)

    Raaijmakers, H.C.A.

    2001-01-01

    Many biological processes require metal ions, and many of these metal-ion functions involve metalloproteins. The metal ions in metalloproteins are often critical to the protein's function, structure, or stability. This thesis focuses on two of these proteins, bacteriophage T4 endonuclease

  17. The 1s x-ray absorption pre-edge structures in transition metal oxides

    NARCIS (Netherlands)

    de Groot, Frank|info:eu-repo/dai/nl/08747610X; Vanko, Gyoergy; Glatzel, Pieter

    2009-01-01

    We develop a general procedure to analyse the pre-edges in 1s x-ray absorption near edge structure (XANES) of transition metal oxides and coordination complexes. Transition metal coordination complexes can be described from a local model with one metal ion. The 1s 3d quadrupole transitions are

  18. Effective carrier sweepout in a silicon waveguide by a metal-semiconductor-metal structure

    DEFF Research Database (Denmark)

    Ding, Yunhong; Hu, Hao; Ou, Haiyan

    2015-01-01

    We demonstrate effective carrier depletion by metal-semiconductor-metal junctions for a silicon waveguide. Photo-generated carriers are efficiently swept out by applying bias voltages, and a shortest carrier lifetime of only 55 ps is demonstrated.......We demonstrate effective carrier depletion by metal-semiconductor-metal junctions for a silicon waveguide. Photo-generated carriers are efficiently swept out by applying bias voltages, and a shortest carrier lifetime of only 55 ps is demonstrated....

  19. The effective field theory of cosmological large scale structures

    Energy Technology Data Exchange (ETDEWEB)

    Carrasco, John Joseph M. [Stanford Univ., Stanford, CA (United States); Hertzberg, Mark P. [Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States); Senatore, Leonardo [Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)

    2012-09-20

    Large scale structure surveys will likely become the next leading cosmological probe. In our universe, matter perturbations are large on short distances and small at long scales, i.e. strongly coupled in the UV and weakly coupled in the IR. To make precise analytical predictions on large scales, we develop an effective field theory formulated in terms of an IR effective fluid characterized by several parameters, such as speed of sound and viscosity. These parameters, determined by the UV physics described by the Boltzmann equation, are measured from N-body simulations. We find that the speed of sound of the effective fluid is c2s ≈ 10–6c2 and that the viscosity contributions are of the same order. The fluid describes all the relevant physics at long scales k and permits a manifestly convergent perturbative expansion in the size of the matter perturbations δ(k) for all the observables. As an example, we calculate the correction to the power spectrum at order δ(k)4. As a result, the predictions of the effective field theory are found to be in much better agreement with observation than standard cosmological perturbation theory, already reaching percent precision at this order up to a relatively short scale k ≃ 0.24h Mpc–1.

  20. Electronic structure and magnetic properties of dilute U impurities in metals

    Science.gov (United States)

    Mohanta, S. K.; Cottenier, S.; Mishra, S. N.

    2016-05-01

    The electronic structure and magnetic moment of dilute U impurity in metallic hosts have been calculated from first principles. The calculations have been performed within local density approximation of the density functional theory using Augmented plane wave+local orbital (APW+lo) technique, taking account of spin-orbit coupling and Coulomb correlation through LDA+U approach. We present here our results for the local density of states, magnetic moment and hyperfine field calculated for an isolated U impurity embedded in hosts with sp-, d- and f-type conduction electrons. The results of our systematic study provide a comprehensive insight on the pressure dependence of 5f local magnetism in metallic systems. The unpolarized local density of states (LDOS), analyzed within the frame work of Stoner model suggest the occurrence of local moment for U in sp-elements, noble metals and f-block hosts like La, Ce, Lu and Th. In contrast, U is predicted to be nonmagnetic in most transition metal hosts except in Sc, Ti, Y, Zr, and Hf consistent with the results obtained from spin polarized calculation. The spin and orbital magnetic moments of U computed within the frame of LDA+U formalism show a scaling behavior with lattice compression. We have also computed the spin and orbital hyperfine fields and a detail analysis has been carried out. The host dependent trends for the magnetic moment, hyperfine field and 5f occupation reflect pressure induced change of electronic structure with U valency changing from 3+ to 4+ under lattice compression. In addition, we have made a detailed analysis of the impurity induced host spin polarization suggesting qualitatively different roles of f-band electrons on moment stability. The results presented in this work would be helpful towards understanding magnetism and spin fluctuation in U based alloys.

  1. Acoustic method for investigation of the structural defects in metals

    International Nuclear Information System (INIS)

    Nicolaescu, I.I.; Curcaneanu, Nicoleta

    1997-01-01

    In this work an acoustic method is presented called, the resonant bar method, which is based on the interaction between ultrasound and the structural defects in high purity metals. By this method the internal dislocation friction (Q -1 ) and the propagation velocity (v) of the ultrasound in the bar is measured. Both quantities are shown to depend on the dislocation densities and the length of dislocation loop. The experimental setup is shown. It consists of the resonant bar, the excitation spool, a generator of variable frequency and amplitude, a receptor spool, a selective amplifier and the adjacent measuring and displaying apparatus. The two spools are located inside of a toroidal permanent magnet. The bar oscillations are produced by the variable electromagnetic force appearing between the whirl current induced in the sample by the generator and the field of toroidal magnet. This method is applied to nonmagnetic materials with high electric conductivity. If the bar under study consists of a insulating material then on its ends either a conducting thin layer or a metallic thin sheet is deposed. The installation allows measuring the acoustic parameters of materials (v and Q -1 ) by two procedures, the method of free damped oscillations and the method of forced oscillations. Also, the internal friction can be measured with this installation, either dependent on or independent of the generator amplitude. Measurements on aluminium samples resulted in the following values: Q -1 (3 ppm) = 10 -3 and Q -1 (150 ppm) = 10 -5 . By means of this installation internal friction can be studied in re-baked, annealed, mechanical deformed and irradiated samples or in materials submitted to other processes

  2. Metallic structural materials in the nuclear environment: some problems illustrating new methods

    International Nuclear Information System (INIS)

    Brechet, Y.

    2002-01-01

    The structural components of the nuclear industry are submitted to a number of aggressions, mechanical, chemical and physical (irradiation). As a consequence, the problem of durability and ageing of such structures is a key issue. The understanding of the phenomena involved implies the description and modelling of atomic scale events (irradiation point defects) resulting in fluxes of matter (diffusion under irradiation), in the dynamic evolution of structural defects (dislocation loops, cavities,...), with major consequences on mechanical properties (yield stress, fracture behaviour), with, in addition, phenomena coupled between mechanical behaviour and chemical environment. It is therefore the totality of materials science which is involved in understanding the behaviour of metallic structural materials in the nuclear environment. The aim of the present paper is to illustrate some examples currently under investigation, and some of the new approaches involved in the understanding of mechanical behaviour (a scale transition from the atomic to the macroscopic). The input from large computer simulations as well as the value of simple 'back of the envelope' calculations, plus the need for cautious experimental studies will be illustrated. The theme of the ageing of materials, central to this paper, finds applications in many industrial situations. (author)

  3. Bioleaching of heavy metals from soil using fungal-organic acids : bench scale testing

    Energy Technology Data Exchange (ETDEWEB)

    Cathum, S.J.; Ousmanova, D.; Somers, A.; Punt, M. [SAIC Canada, Ottawa, ON (Canada); Brown, C.E. [Environment Canada, Ottawa, ON (Canada). Emergencies Engineering Division]|[Environment Canada, Ottawa, ON (Canada). Environmental Technology Centre

    2006-07-01

    The ability of fungi to solubilize metals from solid materials may present new opportunities in environmental remediation. This paper presented details of a bench scale experiment that evaluated the leaching of heavy metals from contaminated soil using in situ fungal-generated organic acids. Rice was used as the growing media for organic acid production by A. foetidus. The cultivated fungus was placed on large pieces of potato-dextrose agar (PDA) plates and suspended in 5 L of sterilized water. The cooked rice was inoculated by pouring the 5 L spore suspension over the rice layer. Soil was obtained from a soil pile impacted with heavy metals at a private industrial site and augmented with Pb-contaminated soil. A polyethylene tub was used with a drain pipe leading to a leachate vessel. Crushed stone was spread over the bottom of the tub to assist leachate drainage. Approximately 45 kg of the contaminated soil was spread evenly over the stone layer to a depth of 10 cm. The concentrated spore suspension was sprinkled over the rice. Each week the leachate collection vessel was removed from the bioleaching system and the fine soil particles were allowed to settle. A control was run using the contaminated soil and solid substrate without fungus. Growth of A. foetidus was observed in both control experiment and test experiment after a period of 35 days. The pH of the leachate was measured as the fungal growth progressed. The process was assessed using ICP Mass Spectroscopy and electron spectroscopy, which showed that approximately 65 g of heavy metals were mobilized from 45 kg of soil, and that the biological leaching process resulted in greater mobilization of heavy metals relative to the control experiment. It was concluded that organic acids generated by A. foetidus were capable of leaching heavy metals from the soil. 30 refs., 4 tabs., 15 figs.

  4. Vitrification of noble metals containing NCAW simulant with an engineering scale melter (ESM): Campaign report

    Energy Technology Data Exchange (ETDEWEB)

    Grunewald, W.; Roth, G.; Tobie, W.; Weisenburger, S.; Weiss, K.; Elliott, M.; Eyler, L.L.

    1996-03-01

    ESM has been designed as a 10th-scale model of the DWPF-type melter, currently the reference melter for nitrification of Hanford double shell tankwaste. ESM and related equipment have been integrated to the existing mockup vitrification plant VA-WAK at KfK. On June 2-July 10, 1992, a shakedown test using 2.61 m{sup 3} of NCAW (neutralized current acid waste) simulant without noble metals was performed. On July 11-Aug. 30, 1992, 14.23 m{sup 3} of the same simulant with nominal concentrations of Ru, Rh, and Pd were vitrified. Objective was to investigate the behavior of such a melter with respect to discharge of noble metals with routine glass pouring via glass overflow. Results indicate an accumulation of noble metals in the bottom area of the flat-bottomed ESM. About 65 wt% of the noble metals fed to the melter could be drained out, whereas 35 wt% accumulated in the melter, based on analysis of glass samples from glass pouring stream in to the canisters. After the melter was drained at the end of the campaign through a bottom drain valve, glass samples were taken from the residual bottom layer. The samples had significantly increased noble metals content (factor of 20-45 to target loading). They showed also a significant decrease of the specific electric resistance compared to bulk glass (factor of 10). A decrease of 10- 15% of the resistance between he power electrodes could be seen at the run end, but the total amount of noble metals accumulated was not yet sufficient enough to disturb the Joule heating of the glass tank severely.

  5. Using the Karolinska Scales of Personality on male juvenile delinquents: relationships between scales and factor structure.

    Science.gov (United States)

    Dåderman, Anna M; Hellström, Ake; Wennberg, Peter; Törestad, Bertil

    2005-01-01

    The aim of the present study was to investigate relationships between scales from the Karolinska Scales of Personality (KSP) and the factor structure of the KSP in a sample of male juvenile delinquents. The KSP was administered to a group of male juvenile delinquents (n=55, mean age 17 years; standard deviation=1.2) from four Swedish national correctional institutions for serious offenders. As expected, the KSP showed appropriate correlations between the scales. Factor analysis (maximum likelihood) arrived at a four-factor solution in this sample, which is in line with previous research performed in a non-clinical sample of Swedish males. More research is needed in a somewhat larger sample of juvenile delinquents in order to confirm the present results regarding the factor solution.

  6. A landscape-scale approach to examining the fate of atmospherically derived industrial metals in the surficial environment.

    Science.gov (United States)

    Stromsoe, Nicola; Marx, Samuel K; McGowan, Hamish A; Callow, Nikolaus; Heijnis, Henk; Zawadzki, Atun

    2015-02-01

    of atmospherically derived metals is complex, and depends upon metal behaviour and geomorphic processes operating at landscape scales. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. Centimetre-scale micropore alignment in oriented polycrystalline metal-organic framework films via heteroepitaxial growth.

    Science.gov (United States)

    Falcaro, Paolo; Okada, Kenji; Hara, Takaaki; Ikigaki, Ken; Tokudome, Yasuaki; Thornton, Aaron W; Hill, Anita J; Williams, Timothy; Doonan, Christian; Takahashi, Masahide

    2017-03-01

    The fabrication of oriented, crystalline films of metal-organic frameworks (MOFs) is a critical step toward their application to advanced technologies such as optics, microelectronics, microfluidics and sensing. However, the direct synthesis of MOF films with controlled crystalline orientation remains a significant challenge. Here we report a one-step approach, carried out under mild conditions, that exploits heteroepitaxial growth for the rapid fabrication of oriented polycrystalline MOF films on the centimetre scale. Our methodology employs crystalline copper hydroxide as a substrate and yields MOF films with oriented pore channels on scales that primarily depend on the dimensions of the substrate. To demonstrate that an anisotropic crystalline morphology can translate to a functional property, we assembled a centimetre-scale MOF film in the presence of a dye and showed that the optical response could be switched 'ON' or 'OFF' by simply rotating the film.

  8. Comprehensive study and design of scaled metal/high-k/Ge gate stacks with ultrathin aluminum oxide interlayers

    Energy Technology Data Exchange (ETDEWEB)

    Asahara, Ryohei; Hideshima, Iori; Oka, Hiroshi; Minoura, Yuya; Hosoi, Takuji, E-mail: hosoi@mls.eng.osaka-u.ac.jp; Shimura, Takayoshi; Watanabe, Heiji [Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan); Ogawa, Shingo [Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan); Toray Research Center Inc., 3-3-7 Sonoyama, Otsu, Shiga 520-8567 (Japan); Yoshigoe, Akitaka; Teraoka, Yuden [Japan Atomic Energy Agency, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan)

    2015-06-08

    Advanced metal/high-k/Ge gate stacks with a sub-nm equivalent oxide thickness (EOT) and improved interface properties were demonstrated by controlling interface reactions using ultrathin aluminum oxide (AlO{sub x}) interlayers. A step-by-step in situ procedure by deposition of AlO{sub x} and hafnium oxide (HfO{sub x}) layers on Ge and subsequent plasma oxidation was conducted to fabricate Pt/HfO{sub 2}/AlO{sub x}/GeO{sub x}/Ge stacked structures. Comprehensive study by means of physical and electrical characterizations revealed distinct impacts of AlO{sub x} interlayers, plasma oxidation, and metal electrodes serving as capping layers on EOT scaling, improved interface quality, and thermal stability of the stacks. Aggressive EOT scaling down to 0.56 nm and very low interface state density of 2.4 × 10{sup 11 }cm{sup −2}eV{sup −1} with a sub-nm EOT and sufficient thermal stability were achieved by systematic process optimization.

  9. Advanced composite structures. [metal matrix composites - structural design criteria for spacecraft construction materials

    Science.gov (United States)

    1974-01-01

    A monograph is presented which establishes structural design criteria and recommends practices to ensure the design of sound composite structures, including composite-reinforced metal structures. (It does not discuss design criteria for fiber-glass composites and such advanced composite materials as beryllium wire or sapphire whiskers in a matrix material.) Although the criteria were developed for aircraft applications, they are general enough to be applicable to space vehicles and missiles as well. The monograph covers four broad areas: (1) materials, (2) design, (3) fracture control, and (4) design verification. The materials portion deals with such subjects as material system design, material design levels, and material characterization. The design portion includes panel, shell, and joint design, applied loads, internal loads, design factors, reliability, and maintainability. Fracture control includes such items as stress concentrations, service-life philosophy, and the management plan for control of fracture-related aspects of structural design using composite materials. Design verification discusses ways to prove flightworthiness.

  10. Finite element modeling of multilayered structures of fish scales.

    Science.gov (United States)

    Chandler, Mei Qiang; Allison, Paul G; Rodriguez, Rogie I; Moser, Robert D; Kennedy, Alan J

    2014-12-01

    The interlinked fish scales of Atractosteus spatula (alligator gar) and Polypterus senegalus (gray and albino bichir) are effective multilayered armor systems for protecting fish from threats such as aggressive conspecific interactions or predation. Both types of fish scales have multi-layered structures with a harder and stiffer outer layer, and softer and more compliant inner layers. However, there are differences in relative layer thickness, property mismatch between layers, the property gradations and nanostructures in each layer. The fracture paths and patterns of both scales under microindentation loads were different. In this work, finite element models of fish scales of A. spatula and P. senegalus were built to investigate the mechanics of their multi-layered structures under penetration loads. The models simulate a rigid microindenter penetrating the fish scales quasi-statically to understand the observed experimental results. Study results indicate that the different fracture patterns and crack paths observed in the experiments were related to the different stress fields caused by the differences in layer thickness, and spatial distribution of the elastic and plastic properties in the layers, and the differences in interface properties. The parametric studies and experimental results suggest that smaller fish such as P. senegalus may have adopted a thinner outer layer for light-weighting and improved mobility, and meanwhile adopted higher strength and higher modulus at the outer layer, and stronger interface properties to prevent ring cracking and interface cracking, and larger fish such as A. spatula and Arapaima gigas have lower strength and lower modulus at the outer layers and weaker interface properties, but have adopted thicker outer layers to provide adequate protection against ring cracking and interface cracking, possibly because weight is less of a concern relative to the smaller fish such as P. senegalus. Published by Elsevier Ltd.

  11. Nonlinear evolution of large-scale structure in the universe

    International Nuclear Information System (INIS)

    Frenk, C.S.; White, S.D.M.; Davis, M.

    1983-01-01

    Using N-body simulations we study the nonlinear development of primordial density perturbation in an Einstein--de Sitter universe. We compare the evolution of an initial distribution without small-scale density fluctuations to evolution from a random Poisson distribution. These initial conditions mimic the assumptions of the adiabatic and isothermal theories of galaxy formation. The large-scale structures which form in the two cases are markedly dissimilar. In particular, the correlation function xi(r) and the visual appearance of our adiabatic (or ''pancake'') models match better the observed distribution of galaxies. This distribution is characterized by large-scale filamentary structure. Because the pancake models do not evolve in a self-similar fashion, the slope of xi(r) steepens with time; as a result there is a unique epoch at which these models fit the galaxy observations. We find the ratio of cutoff length to correlation length at this time to be lambda/sub min//r 0 = 5.1; its expected value in a neutrino dominated universe is 4(Ωh) -1 (H 0 = 100h km s -1 Mpc -1 ). At early epochs these models predict a negligible amplitude for xi(r) and could explain the lack of measurable clustering in the Lyα absorption lines of high-redshift quasars. However, large-scale structure in our models collapses after z = 2. If this collapse precedes galaxy formation as in the usual pancake theory, galaxies formed uncomfortably recently. The extent of this problem may depend on the cosmological model used; the present series of experiments should be extended in the future to include models with Ω<1

  12. Dark matter self-interactions and small scale structure

    Science.gov (United States)

    Tulin, Sean; Yu, Hai-Bo

    2018-02-01

    We review theories of dark matter (DM) beyond the collisionless paradigm, known as self-interacting dark matter (SIDM), and their observable implications for astrophysical structure in the Universe. Self-interactions are motivated, in part, due to the potential to explain long-standing (and more recent) small scale structure observations that are in tension with collisionless cold DM (CDM) predictions. Simple particle physics models for SIDM can provide a universal explanation for these observations across a wide range of mass scales spanning dwarf galaxies, low and high surface brightness spiral galaxies, and clusters of galaxies. At the same time, SIDM leaves intact the success of ΛCDM cosmology on large scales. This report covers the following topics: (1) small scale structure issues, including the core-cusp problem, the diversity problem for rotation curves, the missing satellites problem, and the too-big-to-fail problem, as well as recent progress in hydrodynamical simulations of galaxy formation; (2) N-body simulations for SIDM, including implications for density profiles, halo shapes, substructure, and the interplay between baryons and self-interactions; (3) semi-analytic Jeans-based methods that provide a complementary approach for connecting particle models with observations; (4) merging systems, such as cluster mergers (e.g., the Bullet Cluster) and minor infalls, along with recent simulation results for mergers; (5) particle physics models, including light mediator models and composite DM models; and (6) complementary probes for SIDM, including indirect and direct detection experiments, particle collider searches, and cosmological observations. We provide a summary and critical look for all current constraints on DM self-interactions and an outline for future directions.

  13. Development of Multi-Scale Finite Element Analysis Codes for High Formability Sheet Metal Generation

    International Nuclear Information System (INIS)

    Nnakamachi, Eiji; Kuramae, Hiroyuki; Ngoc Tam, Nguyen; Nakamura, Yasunori; Sakamoto, Hidetoshi; Morimoto, Hideo

    2007-01-01

    In this study, the dynamic- and static-explicit multi-scale finite element (F.E.) codes are developed by employing the homogenization method, the crystalplasticity constitutive equation and SEM-EBSD measurement based polycrystal model. These can predict the crystal morphological change and the hardening evolution at the micro level, and the macroscopic plastic anisotropy evolution. These codes are applied to analyze the asymmetrical rolling process, which is introduced to control the crystal texture of the sheet metal for generating a high formability sheet metal. These codes can predict the yield surface and the sheet formability by analyzing the strain path dependent yield, the simple sheet forming process, such as the limit dome height test and the cylindrical deep drawing problems. It shows that the shear dominant rolling process, such as the asymmetric rolling, generates ''high formability'' textures and eventually the high formability sheet. The texture evolution and the high formability of the newly generated sheet metal experimentally were confirmed by the SEM-EBSD measurement and LDH test. It is concluded that these explicit type crystallographic homogenized multi-scale F.E. code could be a comprehensive tool to predict the plastic induced texture evolution, anisotropy and formability by the rolling process and the limit dome height test analyses

  14. Structure and nano-mechanical characteristics of surface oxide layers on a metallic glass.

    Science.gov (United States)

    Caron, A; Qin, C L; Gu, L; González, S; Shluger, A; Fecht, H-J; Louzguine-Luzgin, D V; Inoue, A

    2011-03-04

    Owing to their low elastic moduli, high specific strength and excellent processing characteristics in the undercooled liquid state, metallic glasses are promising materials for applications in micromechanical systems. With miniaturization of metallic mechanical components down to the micrometer scale, the importance of a native oxide layer on a glass surface is increasing. In this work we use TEM and XPS to characterize the structure and properties of the native oxide layer grown on Ni(62)Nb(38) metallic glass and their evolution after annealing in air. The thickness of the oxide layer almost doubled after annealing. In both cases the oxide layer is amorphous and consists predominantly of Nb oxide. We investigate the friction behavior at low loads and in ambient conditions (i.e. at T = 295 K and 60% air humidity) of both as-cast and annealed samples by friction force microscopy. After annealing the friction coefficient is found to have significantly increased. We attribute this effect to the increase of the mechanical stability of the oxide layer upon annealing.

  15. Complex modular structure of large-scale brain networks

    Science.gov (United States)

    Valencia, M.; Pastor, M. A.; Fernández-Seara, M. A.; Artieda, J.; Martinerie, J.; Chavez, M.

    2009-06-01

    Modular structure is ubiquitous among real-world networks from related proteins to social groups. Here we analyze the modular organization of brain networks at a large scale (voxel level) extracted from functional magnetic resonance imaging signals. By using a random-walk-based method, we unveil the modularity of brain webs and show modules with a spatial distribution that matches anatomical structures with functional significance. The functional role of each node in the network is studied by analyzing its patterns of inter- and intramodular connections. Results suggest that the modular architecture constitutes the structural basis for the coexistence of functional integration of distant and specialized brain areas during normal brain activities at rest.

  16. Structural Quality of Service in Large-Scale Networks

    DEFF Research Database (Denmark)

    Pedersen, Jens Myrup

    , telephony and data. To meet the requirements of the different applications, and to handle the increased vulnerability to failures, the ability to design robust networks providing good Quality of Service is crucial. However, most planning of large-scale networks today is ad-hoc based, leading to highly...... complex networks lacking predictability and global structural properties. The thesis applies the concept of Structural Quality of Service to formulate desirable global properties, and it shows how regular graph structures can be used to obtain such properties.......Digitalization has created the base for co-existence and convergence in communications, leading to an increasing use of multi service networks. This is for example seen in the Fiber To The Home implementations, where a single fiber is used for virtually all means of communication, including TV...

  17. Heavy metal remediation with Ficus microcarpa through transplantation and its environmental risks through field scale experiment.

    Science.gov (United States)

    Luo, Jie; Cai, Limei; Qi, Shihua; Wu, Jian; Gu, Xiaowen Sophie

    2018-02-01

    The phytoremediation efficiency of various metals by Ficus microcarpa was evaluated through a real scale experiment in the present study. The root biomass production of the species varied significantly from 3.68 to 5.43 g because of the spatial heterogeneity of different metals. It would take 4-93 years to purify the excess Cd of the experimental site. Mercury was the most inflexible element which can barely be phytoremediated by F. microcarpa. After the species transplanted from the polluted soil to the clean site, Cd and Cu were transferred to the rhizosphere soil to different extent while the bulk soil was barely influenced. Relative to Cd and Cu, significantly fewer amounts of Pb and Hg were released. The highest concentrations of Cd, Cu, Hg and Pb in the clean soil were far below their corresponding safe thresholds for agricultural land after 3 months of the polluted plants were cultivated and metal concentrations of plant leaves were negligible, both indicated the low ecological risk of transplantation. Results from this study suggested a feasible disposal method for metal rich plants after phytoremediation. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Insights into the photochemical disproportionation of transition metal dimers on the picosecond time scale.

    Science.gov (United States)

    Lomont, Justin P; Nguyen, Son C; Harris, Charles B

    2013-05-09

    The reactivity of five transition metal dimers toward photochemical, in-solvent-cage disproportionation has been investigated using picosecond time-resolved infrared spectroscopy. Previous ultrafast studies on [CpW(CO)3]2 established the role of an in-cage disproportionation mechanism involving electron transfer between 17- and 19-electron radicals prior to diffusion out of the solvent cage. New results from time-resolved infrared studies reveal that the identity of the transition metal complex dictates whether the in-cage disproportionation mechanism can take place, as well as the more fundamental issue of whether 19-electron intermediates are able to form on the picosecond time scale. Significantly, the in-cage disproportionation mechanism observed previously for the tungsten dimer does not characterize the reactivity of four out of the five transition metal dimers in this study. The differences in the ability to form 19-electron intermediates are interpreted either in terms of differences in the 17/19-electron equilibrium or of differences in an energetic barrier to associative coordination of a Lewis base, whereas the case for the in-cage vs diffusive disproportionation mechanisms depends on whether the 19-electron reducing agent is genuinely characterized by 19-electron configuration at the metal center or if it is better described as an 18 + δ complex. These results help to better understand the factors that dictate mechanisms of radical disproportionation and carry implications for radical chain mechanisms.

  19. Charge transport properties of metal/metal-phthalocyanine/n-Si structures

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, Afzal

    2010-12-16

    In present work the charge transport properties of metal/metal-phthalocyanine/n-Si structures with low (N{sub D} = 4 x 10{sup 14} cm{sup -3}), medium (N{sub D}=1 x 10{sup 16} cm{sup -3}) and high (N{sub D}=2 x 10{sup 19} cm{sup -3}) doped n-Si as injecting electrode and the effect of air exposure of the vacuum evaporated metal-phthalocyanine film in these structures is investigated. The results obtained through temperature dependent electrical characterizations of the structures suggest that in terms of dominant conduction mechanism in the corresponding devices Schottky-type conduction mechanism dominates the charge transport in low-bias region of these devices up to 0.8 V, 0.302 V and 0.15 V in case of low, medium and high doped n-Silicon devices. For higher voltages, in each case of devices, the space-charge-limited conduction, controlled by exponential trap distribution, is found to dominate the charge transport properties of the devices. The interface density of states at the CuPc/n-Si interface of the devices are found to be lower in case of lower work function difference at the CuPc/n-Si interface of the devices. The results also suggest that the work function difference at the CuPc/n-Si interface of these devices causes charge transfer at the interface and these phenomena results in formation of interface dipole. The width of the Schottky depletion region at the CuPc/n-Si interface of these devices is found to be higher with higher work function difference at the interface. The investigation of charge transport properties of Al/ZnPc/medium n-Si and Au/ZnPc/ medium n-Si devices suggest that the Schottky depletion region formed at the ZnPc/n-Si interface of these devices determines the charge transport in the low-bias region of both the devices. Therefore, the Schottky-type (injection limited) and the space-charge-limited (bulk limited) conduction are observed in the low and the high bias regions of these devices, respectively. The determined width of the

  20. Origin of the large scale structures of the universe

    International Nuclear Information System (INIS)

    Oaknin, David H.

    2004-01-01

    We revise the statistical properties of the primordial cosmological density anisotropies that, at the time of matter-radiation equality, seeded the gravitational development of large scale structures in the otherwise homogeneous and isotropic Friedmann-Robertson-Walker flat universe. Our analysis shows that random fluctuations of the density field at the same instant of equality and with comoving wavelength shorter than the causal horizon at that time can naturally account, when globally constrained to conserve the total mass (energy) of the system, for the observed scale invariance of the anisotropies over cosmologically large comoving volumes. Statistical systems with similar features are generically known as glasslike or latticelike. Obviously, these conclusions conflict with the widely accepted understanding of the primordial structures reported in the literature, which requires an epoch of inflationary cosmology to precede the standard expansion of the universe. The origin of the conflict must be found in the widespread, but unjustified, claim that scale invariant mass (energy) anisotropies at the instant of equality over comoving volumes of cosmological size, larger than the causal horizon at the time, must be generated by fluctuations in the density field with comparably large comoving wavelength

  1. Field-scale assessment of phytotreatment of soil contaminated with weathered hydrocarbons and heavy metals

    Energy Technology Data Exchange (ETDEWEB)

    Palmroth, M.R.T.; Koskinen, P.E.P.; Tuhkanen, T.A.; Puhakka, J.A. [Inst. of Environmental Engineering and Biotechnology, Tampere Univ. of Tech., Tampere (Finland); Pichtel, J. [Natural Resources and Environmental Management, Ball State Univ., Muncie, IN (United States); Vaajasaari, K. [Pirkanmaa Regional Environment Centre, Tampere (Finland); Joutti, A. [Finnish Environment Inst., Helsinki (Finland)

    2006-08-15

    Background, Aims, and Scope. Phytoremediation is remediation method which uses plants to remove, contain or detoxify environmental contaminants. Phytoremediation has successfully been applied for the removal of fresh hydrocarbon contamination, but removal of aged hydrocarbons has proven more difficult. Biodegradation of hydrocarbons in the subsurface can be enhanced by the presence of plant roots, i.e. the rhizosphere effect. Phytostabilization reduces heavy metal availability via immobilization in the rhizosphere. Soils contaminated by both hydrocarbons and heavy metals are abundant and may be difficult to treat. Heavy metal toxicity can inhibit the activity of hydrocarbon-degrading micro-organisms and decrease the metabolic diversity of soil bacteria. In this experiment, weathered hydrocarbon- and heavy metal-contaminated soil was treated using phytoremediation in a 39-month field study in attempts to achieve both hydrocarbon removal and heavy metal stabilization. Methods. A combination of hydrocarbon degradation and heavy metal stabilization was evaluated in a field-scale phytoremediation study of weathered contaminants. Soil had been contaminated over several years with hydrocarbons (11,400{+-}4,300 mg kg dry soil){sup -1} and heavy metals from bus maintenance activities and was geologically characterized as till. Concentrations of soil copper, lead and zinc were 170{+-}50 mgkg{sup -1}, 1,100{+-}1,500 mg kg{sup -1} and 390{+-} 340 mg kg{sup -1}, respectively. The effect of contaminants, plant species and soil amendment (NPK fertilizer or biowaste compost) on metabolic activity of soil microbiota was determined. Phytostabilization performance was investigated by analyses of metal concentrations in plants, soil and site leachate as well as acute toxicity to Vibrio fischeri and Enchtraeus albidus. Results. Over 39 months hydrocarbon concentrations did not decrease significantly (P=0.05) in non-amended soil, although 30% of initial hydrocarbon concentrations were

  2. Crack diagnosis of metallic profiles based on structural damage indicators

    International Nuclear Information System (INIS)

    Preisler, A; Schröder, K-U; Steenbock, C

    2015-01-01

    Structural Health Monitoring (SHM) faces several challenges before large-scale industrial application. First of all damage diagnosis has to be reliable. Therefore, common SHM approaches use highly advanced sensor techniques to monitor the whole structure on all possible failures. This results in an enormous amount of data gathered during service. The general effort can be drastically reduced, if the knowledge achieved during the sizing process is used. During sizing, potential failure modes and critical locations, so called hot spots, are already evaluated. A very sensitive SHM system can be developed, when the monitoring effort shifts from the damage to its impact on the structural behaviour and the so called damage indicators. These are the two main components of the SmartSHM approach, which reduces the monitoring effort significantly. Not only the amount of data is minimized, but also reliability and robustness are ensured by the SmartSHM approach.This contribution demonstrates the SmartSHM approach by a cracked four point bending beam. To show general applicability a parametric study considering different profiles (bar, box, I, C, T, L, Z), crack positions and lengths has been performed. Questions of sensitivity and minimum size of the sensor network are discussed based on the results of the parametric study. (paper)

  3. Micro Structure and Hardness Analysis of Brass Metal Welded

    Science.gov (United States)

    Lukman Faris, N.; Muljadi; Djuhana

    2018-01-01

    Brass metals are widely used for plumbing fittings. High tensile brasses are more highly alloyed and find uses in marine engineering. The welding of brass metal has been done by using electrical weld machine (SMAW). The microstructure of brass metal welded was observed by optical microscope. The result can see that the microstructure has been changed due to heat from welding. The microstructure of original brass metal is seen a fine laminar stucture, but the microstructure at HAZ appears bigger grains and some area at HAZ is seen coarser microstructure. The microstructure at weld zone can be seen that it was found some of agglomeration of materials from reaction between brass metal and electrode coating wire. According the hardness measurement, it is found highest hardness value about 301.92 HV at weld zone, and hardness value at base metal is 177.84 HV

  4. In-bed accountability of tritium in production scale metal hydride storage beds

    International Nuclear Information System (INIS)

    Klein, J.E.

    1995-01-01

    An ''in-bed accountability'' (IBA) flowing gas calorimetric measurement method has been developed and implemented to eliminate the need to remove tritium from production scale metal hydride storage beds for inventory measurement purposes. Six-point tritium IBA calibration curves have been completed for two, 390 gram tritium metal hydride storage beds. The calibration curves for the two tritium beds are similar to those obtained from the ''cold'' test program. Tritium inventory errors at the 95 percent confidence level ranged from ± 7.3 to 8.6 grams for the cold test results compared to ± 4.2 to 7.5 grams obtained for the two tritium calibrated beds

  5. Small-Scale Metal Tanks for High Pressure Storage of Fluids

    Science.gov (United States)

    London, Adam (Inventor)

    2016-01-01

    Small scale metal tanks for high-pressure storage of fluids having tank factors of more than 5000 meters and volumes of ten cubic inches or less featuring arrays of interconnected internal chambers having at least inner walls thinner than gage limitations allow. The chambers may be arranged as multiple internal independent vessels. Walls of chambers that are also portions of external tank walls may be arcuate on the internal and/or external surfaces, including domed. The tanks may be shaped adaptively and/or conformally to an application, including, for example, having one or more flat outer walls and/or having an annular shape. The tanks may have dual-purpose inlet/outlet conduits of may have separate inlet and outlet conduits. The tanks are made by fusion bonding etched metal foil layers patterned from slices of a CAD model of the tank. The fusion bonded foil stack may be further machined.

  6. Spatial structure of ion-scale plasma turbulence

    Directory of Open Access Journals (Sweden)

    Yasuhito eNarita

    2014-03-01

    Full Text Available Spatial structure of small-scale plasma turbulence is studied under different conditions of plasma parameter beta directly in the three-dimensional wave vector domain. Two independent approaches are taken: observations of turbulent magnetic field fluctuations in the solar wind measured by four Cluster spacecraft, and direct numerical simulations of plasma turbulence using the hybrid code AIKEF, both resolving turbulence on the ion kinetic scales. The two methods provide independently evidence of wave vector anisotropy as a function of beta. Wave vector anisotropy is characterized primarily by an extension of the energy spectrum in the direction perpendicular to the large-scale magnetic field. The spectrum is strongly anisotropic at lower values of beta, and is more isotropic at higher values of beta. Cluster magnetic field data analysis also provides evidence of axial asymmetry of the spectrum in the directions around the large-scale field. Anisotropy is interpreted as filament formation as plasma evolves into turbulence. Axial asymmetry is interpreted as the effect of radial expansion of the solar wind from the corona.

  7. DEMNUni: massive neutrinos and the bispectrum of large scale structures

    Science.gov (United States)

    Ruggeri, Rossana; Castorina, Emanuele; Carbone, Carmelita; Sefusatti, Emiliano

    2018-03-01

    The main effect of massive neutrinos on the large-scale structure consists in a few percent suppression of matter perturbations on all scales below their free-streaming scale. Such effect is of particular importance as it allows to constraint the value of the sum of neutrino masses from measurements of the galaxy power spectrum. In this work, we present the first measurements of the next higher-order correlation function, the bispectrum, from N-body simulations that include massive neutrinos as particles. This is the simplest statistics characterising the non-Gaussian properties of the matter and dark matter halos distributions. We investigate, in the first place, the suppression due to massive neutrinos on the matter bispectrum, comparing our measurements with the simplest perturbation theory predictions, finding the approximation of neutrinos contributing at quadratic order in perturbation theory to provide a good fit to the measurements in the simulations. On the other hand, as expected, a linear approximation for neutrino perturbations would lead to Script O(fν) errors on the total matter bispectrum at large scales. We then attempt an extension of previous results on the universality of linear halo bias in neutrino cosmologies, to non-linear and non-local corrections finding consistent results with the power spectrum analysis.

  8. Making structured metals transparent for ultrabroadband electromagnetic waves and acoustic waves

    International Nuclear Information System (INIS)

    Fan, Ren-Hao; Peng, Ru-Wen; Huang, Xian-Rong; Wang, Mu

    2015-01-01

    In this review, we present our recent work on making structured metals transparent for broadband electromagnetic waves and acoustic waves via excitation of surface waves. First, we theoretically show that one-dimensional metallic gratings can become transparent and completely antireflective for extremely broadband electromagnetic waves by relying on surface plasmons or spoof surface plasmons. Second, we experimentally demonstrate that metallic gratings with narrow slits are highly transparent for broadband terahertz waves at oblique incidence and high transmission efficiency is insensitive to the metal thickness. Further, we significantly develop oblique metal gratings transparent for broadband electromagnetic waves (including optical waves and terahertz ones) under normal incidence. In the third, we find the principles of broadband transparency for structured metals can be extended from one-dimensional metallic gratings to two-dimensional cases. Moreover, similar phenomena are found in sonic artificially metallic structures, which present the transparency for broadband acoustic waves. These investigations provide guidelines to develop many novel materials and devices, such as transparent conducting panels, antireflective solar cells, and other broadband metamaterials and stealth technologies. - Highlights: • Making structured metals transparent for ultrabroadband electromagnetic waves. • Non-resonant excitation of surface plasmons or spoof surface plasmons. • Sonic artificially metallic structures transparent for broadband acoustic waves

  9. Making structured metals transparent for ultrabroadband electromagnetic waves and acoustic waves

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Ren-Hao [National Laboratory of Solid State Microstructures and School of Physics, Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093 (China); Peng, Ru-Wen, E-mail: rwpeng@nju.edu.cn [National Laboratory of Solid State Microstructures and School of Physics, Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093 (China); Huang, Xian-Rong [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States); Wang, Mu [National Laboratory of Solid State Microstructures and School of Physics, Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093 (China)

    2015-07-15

    In this review, we present our recent work on making structured metals transparent for broadband electromagnetic waves and acoustic waves via excitation of surface waves. First, we theoretically show that one-dimensional metallic gratings can become transparent and completely antireflective for extremely broadband electromagnetic waves by relying on surface plasmons or spoof surface plasmons. Second, we experimentally demonstrate that metallic gratings with narrow slits are highly transparent for broadband terahertz waves at oblique incidence and high transmission efficiency is insensitive to the metal thickness. Further, we significantly develop oblique metal gratings transparent for broadband electromagnetic waves (including optical waves and terahertz ones) under normal incidence. In the third, we find the principles of broadband transparency for structured metals can be extended from one-dimensional metallic gratings to two-dimensional cases. Moreover, similar phenomena are found in sonic artificially metallic structures, which present the transparency for broadband acoustic waves. These investigations provide guidelines to develop many novel materials and devices, such as transparent conducting panels, antireflective solar cells, and other broadband metamaterials and stealth technologies. - Highlights: • Making structured metals transparent for ultrabroadband electromagnetic waves. • Non-resonant excitation of surface plasmons or spoof surface plasmons. • Sonic artificially metallic structures transparent for broadband acoustic waves.

  10. High pressure metallization of Mott Insulators: Magnetic, structural and electronic properties

    International Nuclear Information System (INIS)

    Pasternak, M.P.; Hearne, G.; Sterer, E.; Taylor, R.D.; Jeanloz, R.

    1993-01-01

    High pressure studies of the insulator-metal transition in the (TM)I 2 (TM = V, Fe, Co and Ni) compounds are described. Those divalent transition-metal iodides are structurally isomorphous and classified as Mott Insulators. Resistivity, X-ray diffraction and Moessbauer Spectroscopy were employed to investigate the electronic, structural, and magnetic properties as a function of pressure both on the highly correlated and on the metallic regimes

  11. Light extinction in metallic powder beds: Correlation with powder structure

    International Nuclear Information System (INIS)

    Rombouts, M.; Froyen, L.; Gusarov, A.V.; Bentefour, E.H.; Glorieux, C.

    2005-01-01

    A theoretical correlation between the effective extinction coefficient, the specific surface area, and the chord length distribution of powder beds is verified experimentally. The investigated powder beds consist of metallic particles of several tens of microns. The effective extinction coefficients are measured by a light-transmission technique at a wavelength of 540 nm. The powder structure is characterized by a quantitative image analysis of powder bed cross sections resulting in two-point correlation functions and chord length distributions. The specific surface area of the powders is estimated by laser-diffraction particle-size analysis and by the two-point correlation function. The theoretically predicted tendency of increasing extinction coefficient with specific surface area per unit void volume is confirmed by the experiments. However, a significant quantitative discrepancy is found for several powders. No clear correlation of the extinction coefficient with the powder material and particle size, and morphology is revealed, which is in line with the assumption of geometrical optics

  12. Plastic deformation and failure mechanisms in nano-scale notched metallic glass specimens under tensile loading

    Science.gov (United States)

    Dutta, Tanmay; Chauniyal, Ashish; Singh, I.; Narasimhan, R.; Thamburaja, P.; Ramamurty, U.

    2018-02-01

    In this work, numerical simulations using molecular dynamics and non-local plasticity based finite element analysis are carried out on tensile loading of nano-scale double edge notched metallic glass specimens. The effect of acuteness of notches as well as the metallic glass chemical composition or internal material length scale on the plastic deformation response of the specimens are studied. Both MD and FE simulations, in spite of the fundamental differences in their nature, indicate near-identical deformation features. Results show two distinct transitions in the notch tip deformation behavior as the acuity is increased, first from single shear band dominant plastic flow localization to ligament necking, and then to double shear banding in notches that are very sharp. Specimens with moderately blunt notches and composition showing wider shear bands or higher material length scale characterizing the interaction stress associated with flow defects display profuse plastic deformation and failure by ligament necking. These results are rationalized from the role of the interaction stress and development of the notch root plastic zones.

  13. Pyrolysis as a technique for separating heavy metals from hyperaccumulators. Part II: Lab-scale pyrolysis of synthetic hyperaccumulator biomass

    International Nuclear Information System (INIS)

    Koppolu, Lakshmi; Agblevor, F.A.; Clements, L.D.

    2003-01-01

    Synthetic hyperaccumulator biomass (SHB) impregnated with Ni, Zn, Cu, Co or Cr was used to conduct 11 experiments in a lab-scale fluidized bed reactor. Two runs with blank corn stover, with no metal added, were also conducted. The reactor was operated in an entrained mode in a oxygen-free (N 2 ) environment at 873 K and 1 atm. The apparent gas residence time through the lab-scale reactor was 0.6 s at 873 K. The material balance for the lab-scale experiments on N 2 -free basis varied between 81% and 98%. The presence of a heavy metal in the SHB decreased the char yield and increased the tar yield, compared to the blank. The char and gas yields appeared to depend on the form of the metal salt used to prepare the SHB. However, the metal distribution in the product streams did not seem to be influenced by the chemical form of the metal salt used to prepare the SHB. Greater than 98.5% of the metal in the product stream was concentrated in the char formed by pyrolyzing and gasifying the SHB in the reactor. The metal concentration in the char varied between 0.7 and 15.3% depending on the type of metal in the SHB. However, the metal concentration was increased 4 to 6 times in the char compared to the feed

  14. Dynamical Mechanism of Scaling Behaviors in Multifractal Structure

    Science.gov (United States)

    Kim, Kyungsik; Jung, Jae Won; Kim, Soo Yong

    2010-03-01

    The pattern of stone distribution in the game of Go (Baduk, Weiqi, or Igo) can be treated in the mathematical and physical languages of multifractals. The concepts of fractals and multifractals have relevance to many fields of science and even arts. A significant and fascinating feature of this approach is that it provides a proper interpretation for the pattern of the two-colored (black and white) stones in terms of the numerical values of the generalized dimension and the scaling exponent. For our case, these statistical quantities can be estimated numerically from the black, white, and mixed stones, assuming the excluded edge effect that the cell form of the Go game has the self-similar structure. The result from the multifractal structure allows us to find a definite and reliable fractal dimension, and it precisely verifies that the fractal dimension becomes larger, as the cell of grids increases. We also find the strength of multifractal structures from the difference in the scaling exponents in the black, white, and mixed stones.

  15. Structures and Intermittency in Small Scales Solar Wind Turbulence

    International Nuclear Information System (INIS)

    Sahraoui, Fouad; Goldstein, Melvyn

    2010-01-01

    Several observations in space plasmas have reported the presence of coherent structures at different plasma scales. Structure formation is believed to result from nonlinear interactions between the plasma modes, which depend strongly on their phase synchronization. Despite this important role of the phases in turbulence, very limited work has been devoted to study the phases as potential tracers of nonlinearities in comparison with the wealth of literature on power spectra of turbulence where phases are totally missed. The reason why the phases are seldom used is probably because they usually appear to be completely mixed (due to their dependence on an arbitrary time origin and to 2π periodicity). To handle the phases properly, a new method based on using surrogate data has been developed recently to detect coherent structures in magnetized plasmas [Sahraoui, PRE, 2008]. Here, we show new applications of the technique to study the nature (weak vs strong, self-similar vs intermittent) of the small scale turbulence in the solar wind using the Cluster observations.

  16. Kinetic Scale Structure of Low-frequency Waves and Fluctuations

    Energy Technology Data Exchange (ETDEWEB)

    López, Rodrigo A.; Yoon, Peter H. [Institute for Physical Science and Technology, University of Maryland, College Park, MD 20742 (United States); Viñas, Adolfo F. [NASA Goddard Space Flight Center, Heliophysics Science Division, Geospace Physics Laboratory, Mail Code 673, Greenbelt, MD 20771 (United States); Araneda, Jaime A., E-mail: rlopezh@umd.edu, E-mail: yoonp@umd.edu [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Concepción, Concepción (Chile)

    2017-08-10

    The dissipation of solar wind turbulence at kinetic scales is believed to be important for the heating of the corona and for accelerating the wind. The linear Vlasov kinetic theory is a useful tool for identifying various wave modes, including kinetic Alfvén, fast magnetosonic/whistler, and ion-acoustic (or kinetic slow), and their possible roles in the dissipation. However, the kinetic mode structure in the vicinity of ion-cyclotron modes is not clearly understood. The present paper aims to further elucidate the structure of these low-frequency waves by introducing discrete particle effects through hybrid simulations and Klimontovich formalism of spontaneous emission theory. The theory and simulation of spontaneously emitted low-frequency fluctuations are employed to identify and distinguish the detailed mode structures associated with ion-Bernstein modes versus quasi-modes. The spontaneous emission theory and simulation also confirm the findings of the Vlasov theory in that the kinetic Alfvén waves can be defined over a wide range of frequencies, including the proton cyclotron frequency and its harmonics, especially for high-beta plasmas. This implies that these low-frequency modes may play predominant roles even in the fully kinetic description of kinetic scale turbulence and dissipation despite the fact that cyclotron harmonic and Bernstein modes may also play important roles in wave–particle interactions.

  17. Divergence of perturbation theory in large scale structures

    Science.gov (United States)

    Pajer, Enrico; van der Woude, Drian

    2018-05-01

    We make progress towards an analytical understanding of the regime of validity of perturbation theory for large scale structures and the nature of some non-perturbative corrections. We restrict ourselves to 1D gravitational collapse, for which exact solutions before shell crossing are known. We review the convergence of perturbation theory for the power spectrum, recently proven by McQuinn and White [1], and extend it to non-Gaussian initial conditions and the bispectrum. In contrast, we prove that perturbation theory diverges for the real space two-point correlation function and for the probability density function (PDF) of the density averaged in cells and all the cumulants derived from it. We attribute these divergences to the statistical averaging intrinsic to cosmological observables, which, even on very large and "perturbative" scales, gives non-vanishing weight to all extreme fluctuations. Finally, we discuss some general properties of non-perturbative effects in real space and Fourier space.

  18. Crystal-Structure Contribution to the Solid Solubility in Transition Metal Alloys

    DEFF Research Database (Denmark)

    Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet

    1998-01-01

    The solution energies of 4d metals in other 4d metals as well as the bcc-hcp structural energy differences in random 4d alloys are calculated by density functional theory. It is shown that the crystal structure of the host plays a crucial role in the solid solubility. A local virtual bond...

  19. Examining Similarity Structure: Multidimensional Scaling and Related Approaches in Neuroimaging

    Directory of Open Access Journals (Sweden)

    Svetlana V. Shinkareva

    2013-01-01

    Full Text Available This paper covers similarity analyses, a subset of multivariate pattern analysis techniques that are based on similarity spaces defined by multivariate patterns. These techniques offer several advantages and complement other methods for brain data analyses, as they allow for comparison of representational structure across individuals, brain regions, and data acquisition methods. Particular attention is paid to multidimensional scaling and related approaches that yield spatial representations or provide methods for characterizing individual differences. We highlight unique contributions of these methods by reviewing recent applications to functional magnetic resonance imaging data and emphasize areas of caution in applying and interpreting similarity analysis methods.

  20. Cosmological parameters from large scale structure - geometric versus shape information

    CERN Document Server

    Hamann, Jan; Lesgourgues, Julien; Rampf, Cornelius; Wong, Yvonne Y Y

    2010-01-01

    The matter power spectrum as derived from large scale structure (LSS) surveys contains two important and distinct pieces of information: an overall smooth shape and the imprint of baryon acoustic oscillations (BAO). We investigate the separate impact of these two types of information on cosmological parameter estimation, and show that for the simplest cosmological models, the broad-band shape information currently contained in the SDSS DR7 halo power spectrum (HPS) is by far superseded by geometric information derived from the baryonic features. An immediate corollary is that contrary to popular beliefs, the upper limit on the neutrino mass m_\

  1. Testing Inflation with Large Scale Structure: Connecting Hopes with Reality

    International Nuclear Information System (INIS)

    Alvarez, Marcello; Baldauf, T.; Bond, J. Richard; Dalal, N.; Putter, R. D.; Dore, O.; Green, Daniel; Hirata, Chris; Huang, Zhiqi; Huterer, Dragan; Jeong, Donghui; Johnson, Matthew C.; Krause, Elisabeth; Loverde, Marilena; Meyers, Joel; Meeburg, Daniel; Senatore, Leonardo; Shandera, Sarah; Silverstein, Eva; Slosar, Anze; Smith, Kendrick; Zaldarriaga, Matias; Assassi, Valentin; Braden, Jonathan; Hajian, Amir; Kobayashi, Takeshi; Stein, George; Engelen, Alexander van

    2014-01-01

    The statistics of primordial curvature fluctuations are our window into the period of inflation, where these fluctuations were generated. To date, the cosmic microwave background has been the dominant source of information about these perturbations. Large-scale structure is, however, from where drastic improvements should originate. In this paper, we explain the theoretical motivations for pursuing such measurements and the challenges that lie ahead. In particular, we discuss and identify theoretical targets regarding the measurement of primordial non-Gaussianity. We argue that when quantified in terms of the local (equilateral) template amplitude floc\

  2. Factor structure of the Brief Negative Symptom Scale.

    Science.gov (United States)

    Strauss, Gregory P; Hong, L Elliot; Gold, James M; Buchanan, Robert W; McMahon, Robert P; Keller, William R; Fischer, Bernard A; Catalano, Lauren T; Culbreth, Adam J; Carpenter, William T; Kirkpatrick, Brian

    2012-12-01

    The current study examined the factor structure of the Brief Negative Symptom Scale (BNSS), a next-generation negative symptom rating instrument developed in response to the NIMH-sponsored Consensus Development Conference on Negative Symptoms. Participants included 146 individuals with a DSM-IV diagnosis of schizophrenia or schizoaffective disorder. Principal axis factoring indicated two distinct factors explaining 68.7% of the variance. Similar to previous findings, the factors reflected motivation and pleasure and emotional expressivity. These findings provide further support for the construct validity of the BNSS, and for the existence of these two negative symptom factors. Copyright © 2012 Elsevier B.V. All rights reserved.

  3. Solving large scale structure in ten easy steps with COLA

    Energy Technology Data Exchange (ETDEWEB)

    Tassev, Svetlin [Department of Astrophysical Sciences, Princeton University, 4 Ivy Lane, Princeton, NJ 08544 (United States); Zaldarriaga, Matias [School of Natural Sciences, Institute for Advanced Study, Olden Lane, Princeton, NJ 08540 (United States); Eisenstein, Daniel J., E-mail: stassev@cfa.harvard.edu, E-mail: matiasz@ias.edu, E-mail: deisenstein@cfa.harvard.edu [Center for Astrophysics, Harvard University, 60 Garden Street, Cambridge, MA 02138 (United States)

    2013-06-01

    We present the COmoving Lagrangian Acceleration (COLA) method: an N-body method for solving for Large Scale Structure (LSS) in a frame that is comoving with observers following trajectories calculated in Lagrangian Perturbation Theory (LPT). Unlike standard N-body methods, the COLA method can straightforwardly trade accuracy at small-scales in order to gain computational speed without sacrificing accuracy at large scales. This is especially useful for cheaply generating large ensembles of accurate mock halo catalogs required to study galaxy clustering and weak lensing, as those catalogs are essential for performing detailed error analysis for ongoing and future surveys of LSS. As an illustration, we ran a COLA-based N-body code on a box of size 100 Mpc/h with particles of mass ≈ 5 × 10{sup 9}M{sub s}un/h. Running the code with only 10 timesteps was sufficient to obtain an accurate description of halo statistics down to halo masses of at least 10{sup 11}M{sub s}un/h. This is only at a modest speed penalty when compared to mocks obtained with LPT. A standard detailed N-body run is orders of magnitude slower than our COLA-based code. The speed-up we obtain with COLA is due to the fact that we calculate the large-scale dynamics exactly using LPT, while letting the N-body code solve for the small scales, without requiring it to capture exactly the internal dynamics of halos. Achieving a similar level of accuracy in halo statistics without the COLA method requires at least 3 times more timesteps than when COLA is employed.

  4. FDTD method for laser absorption in metals for large scale problems.

    Science.gov (United States)

    Deng, Chun; Ki, Hyungson

    2013-10-21

    The FDTD method has been successfully used for many electromagnetic problems, but its application to laser material processing has been limited because even a several-millimeter domain requires a prohibitively large number of grids. In this article, we present a novel FDTD method for simulating large-scale laser beam absorption problems, especially for metals, by enlarging laser wavelength while maintaining the material's reflection characteristics. For validation purposes, the proposed method has been tested with in-house FDTD codes to simulate p-, s-, and circularly polarized 1.06 μm irradiation on Fe and Sn targets, and the simulation results are in good agreement with theoretical predictions.

  5. Multiple metals exposure in a small-scale artisanal gold mining community.

    Science.gov (United States)

    Basu, Niladri; Nam, Dong-Ha; Kwansaa-Ansah, Edward; Renne, Elisha P; Nriagu, Jerome O

    2011-04-01

    Urinary metals were characterized in 57 male residents of a small-scale gold mining community in Ghana. Chromium and arsenic exceeded health guideline values for 52% and 34%, respectively, of all participants. About 10-40% of the participants had urinary levels of aluminum, copper, manganese, nickel, selenium, and zinc that fell outside the U.S. reference range. Exposures appear ubiquitous across the community as none of the elements were associated with occupation, age, and diet. Copyright © 2011 Elsevier Inc. All rights reserved.

  6. Atomic scale modeling of defect production and microstructure evolution in irradiated metals

    Energy Technology Data Exchange (ETDEWEB)

    Diaz de la Rubia, T.; Soneda, N.; Shimomura, Y. [Lawrence Livermore National Lab., CA (United States)] [and others

    1997-04-01

    Irradiation effects in materials depend in a complex way on the form of the as-produced primary damage state and its spatial and temporal evolution. Thus, while collision cascades produce defects on a time scale of tens of picosecond, diffusion occurs over much longer time scales, of the order of seconds, and microstructure evolution over even longer time scales. In this report the authors present work aimed at describing damage production and evolution in metals across all the relevant time and length scales. They discuss results of molecular dynamics simulations of displacement cascades in Fe and V. They show that interstitial clusters are produced in cascades above 5 keV, but not vacancy clusters. Next, they discuss the development of a kinetic Monte Carlo model that enables calculations of damage evolution over much longer time scales (1000`s of s) than the picosecond lifetime of the cascade. They demonstrate the applicability of the method by presenting predictions on the fraction of freely migrating defects in {alpha}Fe during irradiation at 600 K.

  7. Atomic scale modeling of defect production and microstructure evolution in irradiated metals

    International Nuclear Information System (INIS)

    Diaz de la Rubia, T.; Soneda, N.; Shimomura, Y.

    1997-01-01

    Irradiation effects in materials depend in a complex way on the form of the as-produced primary damage state and its spatial and temporal evolution. Thus, while collision cascades produce defects on a time scale of tens of picosecond, diffusion occurs over much longer time scales, of the order of seconds, and microstructure evolution over even longer time scales. In this report the authors present work aimed at describing damage production and evolution in metals across all the relevant time and length scales. They discuss results of molecular dynamics simulations of displacement cascades in Fe and V. They show that interstitial clusters are produced in cascades above 5 keV, but not vacancy clusters. Next, they discuss the development of a kinetic Monte Carlo model that enables calculations of damage evolution over much longer time scales (1000's of s) than the picosecond lifetime of the cascade. They demonstrate the applicability of the method by presenting predictions on the fraction of freely migrating defects in αFe during irradiation at 600 K

  8. Electronic and atomic structure at metal-oxide heterointerfaces

    Energy Technology Data Exchange (ETDEWEB)

    Schlueter, Christoph Friedrich

    2013-07-01

    The results of a series of investigations on modern oxide materials using hard X-ray photoelectron spectroscopy (HAXPES) combined with the X-ray standing wave (XSW) method are described in this thesis. The combination of hard X-ray photoelectron spectroscopy and X-ray standing waves enables the electronic structure to be measured with a spatial resolution in the picometer range. Under suitable preparation conditions, a quasi two-dimensional electron gas (2DEG) is formed at the heterointerfaces of strontium titanate (SrTiO{sub 3}) with polar oxides, such as lanthanum aluminate (LaAlO{sub 3}) or lanthanum gallate (LaGaO{sub 3}). Samples were grown at the ESRF and in Naples and surface X-ray diffraction confirmed the excellent epitaxial quality of the films. The XSW-method was used to reconstruct images of the structure of LaAlO{sub 3} layers in real space. These images give evidence of distortions in the LaAlO{sub 3} structure which facilitate the compensation of the potential differences. Furthermore, XSW/HAXPES measurements permit the Ti and Sr,O contributions to the 2DEG close to the Fermi level to be identified unambiguously. The analysis shows that the 3d band crosses the Fermi level and that some density of states is associated with oxygen vacancies. Superlattices of SrTiO{sub 3} with polar calcium cuprate (CaCuO{sub 2}) were investigated by HAXPES. Similar to the case of SrTiO{sub 3}/LaAlO{sub 3}, the polarity of CaCuO{sub 2} should lead to a diverging surface potential. The core level spectra from Ca, Sr, and Ti show that there is a redistribution mechanism for oxygen which compensates the potential differences. When the oxygen concentration is enhanced these superstructures become superconducting (T{sub C} = 40 K). The increased oxidation of the superconducting material is revealed by the additional components in the core level spectra of the metal atoms and in the appearance of a new screening channel in Cu 2p core level spectra, which signals the hole

  9. Electronic and atomic structure at metal-oxide heterointerfaces

    International Nuclear Information System (INIS)

    Schlueter, Christoph Friedrich

    2013-01-01

    The results of a series of investigations on modern oxide materials using hard X-ray photoelectron spectroscopy (HAXPES) combined with the X-ray standing wave (XSW) method are described in this thesis. The combination of hard X-ray photoelectron spectroscopy and X-ray standing waves enables the electronic structure to be measured with a spatial resolution in the picometer range. Under suitable preparation conditions, a quasi two-dimensional electron gas (2DEG) is formed at the heterointerfaces of strontium titanate (SrTiO 3 ) with polar oxides, such as lanthanum aluminate (LaAlO 3 ) or lanthanum gallate (LaGaO 3 ). Samples were grown at the ESRF and in Naples and surface X-ray diffraction confirmed the excellent epitaxial quality of the films. The XSW-method was used to reconstruct images of the structure of LaAlO 3 layers in real space. These images give evidence of distortions in the LaAlO 3 structure which facilitate the compensation of the potential differences. Furthermore, XSW/HAXPES measurements permit the Ti and Sr,O contributions to the 2DEG close to the Fermi level to be identified unambiguously. The analysis shows that the 3d band crosses the Fermi level and that some density of states is associated with oxygen vacancies. Superlattices of SrTiO 3 with polar calcium cuprate (CaCuO 2 ) were investigated by HAXPES. Similar to the case of SrTiO 3 /LaAlO 3 , the polarity of CaCuO 2 should lead to a diverging surface potential. The core level spectra from Ca, Sr, and Ti show that there is a redistribution mechanism for oxygen which compensates the potential differences. When the oxygen concentration is enhanced these superstructures become superconducting (T C = 40 K). The increased oxidation of the superconducting material is revealed by the additional components in the core level spectra of the metal atoms and in the appearance of a new screening channel in Cu 2p core level spectra, which signals the hole doping of the CaCuO 2 blocks. Magnetoresistive

  10. Relationship between the electronic structure and the glide in the hexagonal close packed metals

    International Nuclear Information System (INIS)

    Legrand, B.; Le Hazif, R.

    1983-06-01

    In all hexagonal close-packed metals (HCP), deformation is performed by slip on a mean glide system (MGS) and on several secondary systems. There are no reliable predictions of the MGS choice. In this paper is shown the role played by the electronic structure on the choice of glide system in HCP metals. MGS is basal for all normal metals and is a function of the electron number in HCP transition metals. The different SFE's were calculated using appropriate total energy models, for different metals. Thus pseudopotentials were used (or empirical pair potentials) for normal metals, and a tight-binding model for transition metals. The most important results are the following: prismatic SFE (PSFE) is smaller than basal SFE (BSFE) for Y, Ti, Zr, Hf, Ru and Os; BSFE is smaller than PSFE for Co and all normal metals; BSFE and PSFe and about the same for RE and Tc

  11. Surface/structure functionalization of copper-based catalysts by metal-support and/or metal–metal interactions

    Energy Technology Data Exchange (ETDEWEB)

    Konsolakis, Michalis, E-mail: mkonsol@science.tuc.gr [School of Production Engineering and Management, Technical University of Crete, GR-73100 Chania, Crete (Greece); Ioakeimidis, Zisis [Department of Mechanical Engineering, University of Western Macedonia, Bakola and Sialvera, GR-50100 Kozani (Greece)

    2014-11-30

    Highlights: • The surface chemistry of Cu-based catalysts is adjusted by metal-support or metal–metal interactions. • Three series of catalysts, i.e., Cu/REOs, Cu/Ce{sub 1−x}Sm{sub x}O{sub δ} and Cu–Co/CeO{sub 2} were prepared. • The local structure of Cu sites is remarkably affected by support or active phase modification. • Useful insights toward the fundamental understanding of Cu-catalyzed reactions are provided. - Abstract: Cu-based catalysts have recently attracted great attention both in catalysis and electro-catalysis fields due to their excellent catalytic performance and low cost. Given that their performance is determined, to a great extent, by Cu sites local environment, considerable efforts have been devoted on the strategic modifications of the electronic and structural properties of Cu sites. In this regard, the feasibility of tuning the local structure of Cu entities by means of metal-support or metal–metal interactions is investigated. More specifically, the physicochemical properties of Cu entities are modified by employing: (i) different oxides (CeO{sub 2}, La{sub 2}O{sub 3}, Sm{sub 2}O{sub 3}), or (ii) ceria-based mixed oxides (Ce{sub 1−x}Sm{sub x}O{sub δ}) as supporting carriers, and (iii) a second metal (Cobalt) adjacent to Cu (bimetallic Cu–Co/CeO{sub 2}). A characterization study, involving BET, XRD, TPR, and XPS, reveal that significant modifications on structural, redox and electronic properties of Cu sites can be induced by adopting either different oxide carriers or bimetallic complexes. Fundamental insights into the tuning of Cu local environment by metal-support or metal–metal interactions are provided, paving the way for real-life industrial applications.

  12. The synthesis and structural characterization of novel transition metal fluorides

    Energy Technology Data Exchange (ETDEWEB)

    Casteel, Jr., William Jack [Univ. of California, Berkeley, CA (United States)

    1992-09-01

    High purity KMF6 and K2MF6 salts (M = Mo,Re, Ru, Os, Ir, Pt) are obtained from reduction hexafluorides. A rhombohedral unit cell is observed for KReF6. Fluoride ion capture by Lewis acids from the hexafluorometallate (IV) salts affords high purity tetrafluorides for M = Mo, Re, Ru, Os, and Pd. The structure of RuF4 is determined from X-ray synchrotron and neutron powder data. Unit cells based on theorthorhombic PdF4 type cell are derived from X-ray powder data for ReF4 and OsF4. Fluoride ion capture from KAgF4 provides the thermally unstable trifluoride as a bright, red, diamagnetic solid. The structure solution of AgF3 and redetermination of the AuF3 structure from X-ray synchrotron and neutron powder data demonstrate that the two are isostnictural. Thermal decomposition product of AgF3 is the mixed valence compound AgIIAg2IIIF8. Several new salts containing the (Ag - F)$n+\\atop{n}$ chain cation are prepared. The first linear (Ag - F)$n+\\atop{n}$ chain is observed in AgF+BF4- which crystallizes in a tetragonal unit. AgFAuF4 has a triclinic unit cell and is isostructural with CuFAuF4. AgFAuF6 has an orthorhombic unit cell and appears to be isostructural with AgFAsF6. A second mixed valence silver fluoride, AgIIAgIIIF5, is prepared, which magnetic measurements indicate is probably an AgF+ salt. Magnetic data for all of the AgF+ salts exhibit low magnitude, temperature independent paramagnetism characteristic of metallic systems. Cationic AG(II) in acidic AHF solutions is a powerful oxidizer, capable of oxidizing Xe to Xe(II) and O2 to O2+. Reactions with C6F6 and C3F6 suggest an electron capture

  13. The Multifractal Structure of Small-Scale Artificial Ionospheric Turbulence

    Directory of Open Access Journals (Sweden)

    Vybornov F. I.

    2013-03-01

    Full Text Available We present the results of investigation of a multifractal structure of the artificial ionospheric turbulence when the midlatitude ionosphere is affected by high-power radio waves. The experimental studies were performed on the basis of the SURA heating facility with the help of radio sounding of the disturbed region of ionospheric plasma by signals from the Earth’s orbital satellities. In the case of vertical radio sounding of the disturbed ionosphere region, the measured multipower and generalized multifractal spectra of turbulence coincide well with similar multifractal characteristics of the ionosperic turbulence under the natural conditions. In the case of oblique sounding of the disturbance region at small angles between the line of sight to the satellite and the direction of the Earth’s magnetic field, a nonuniform structure of the small-scale turbulence with a relatively narrow multipower spectrum and small variations in the generalized multifractal spectrum of the electron density was detected.

  14. FULL SCALE REGENERABLE HEPA FILTER DESIGN USING SINTERED METAL FILTER ELEMENTS

    International Nuclear Information System (INIS)

    Gil Ramos; Kenneth Rubow; Ronald Sekellick

    2002-01-01

    A Department of Energy funded contract involved the development of porous metal as a HEPA filter, and the subsequent design of a full-scale regenerable HEPA filtration system (RHFS). This RHFS could replace the glass fiber HEPA filters currently being used on the high level waste (HLW) tank ventilation system with a system that would be moisture tolerant, durable, and cleanable in place. The origins of the contract are a 1996 investigation at the Savannah River Technology Center (SRTC) regarding the use of porous metal as a HEPA filter material. This contract was divided into Phases I, IIA and IIB. Phase I of the contract evaluated simple filter cylinders in a simulated High Level Waste (HLW) environment and the ability to clean and regenerate the filter media after fouling. Upon the successful completion of Phase I, Phase IIA was conducted, which included lab scale prototype testing and design of a full-scale system. The work completed under Phase IIA included development of a full-scale system design, development of a filter media meeting the HEPA filtration efficiency that would also be regenerable using prescribed cleaning procedures, and the testing of a single element system prototype at Savannah River. All contract objectives were met. The filter media selected was a nickel material already under development at Mott, which met the HEPA filtration efficiency standard. The Mott nickel media met and exceeded the HEPA requirement, providing 99.99% removal against a requirement of 99.97%. Double open-ended elements of this media were provided to the Savannah River Test Center for HLW simulation testing in the single element prototype filter. These elements performed well and further demonstrated the practicality of a metallic media regenerable HEPA filter system. An evaluation of the manufacturing method on many elements demonstrated the reproducibility to meet the HEPA filtration requirement. The full-scale design of the Mott RHFS incorporated several important

  15. Full scale dynamic testing of Paks nuclear power plant structures

    International Nuclear Information System (INIS)

    Da Rin, E.M.

    1995-01-01

    This report refers to the full-scale dynamic structural testing activities that have been performed in December 1994 at the Paks (H) Nuclear Power Plant, within the framework of: the IAEA Coordinated research Programme 'Benchmark Study for the Seismic Analysis and Testing of WWER-type Nuclear Power Plants, and the nuclear research activities of ENEL-WR/YDN, the Italian National Electricity Board in Rome. The specific objective of the conducted investigation was to obtain valid data on the dynamic behaviour of the plant's major constructions, under normal operating conditions, for enabling an assessment of their actual seismic safety to be made. As described in more detail hereafter, the Paks NPP site has been subjected to low level earthquake like ground shaking, through appropriately devised underground explosions, and the dynamic response of the plant's 1 st reactor unit important structures was appropriately measured and digitally recorded. In-situ free field response was measured concurrently and, moreover, site-specific geophysical and seismological data were simultaneously acquired too. The above-said experimental data is to provide basic information on the geophysical and seismological characteristics of the Paks NPP site, together with useful reference information on the true dynamic characteristics of its main structures and give some indications on the actual dynamic soil-structure interaction effects for the case of low level excitation

  16. Systematic renormalization of the effective theory of Large Scale Structure

    International Nuclear Information System (INIS)

    Abolhasani, Ali Akbar; Mirbabayi, Mehrdad; Pajer, Enrico

    2016-01-01

    A perturbative description of Large Scale Structure is a cornerstone of our understanding of the observed distribution of matter in the universe. Renormalization is an essential and defining step to make this description physical and predictive. Here we introduce a systematic renormalization procedure, which neatly associates counterterms to the UV-sensitive diagrams order by order, as it is commonly done in quantum field theory. As a concrete example, we renormalize the one-loop power spectrum and bispectrum of both density and velocity. In addition, we present a series of results that are valid to all orders in perturbation theory. First, we show that while systematic renormalization requires temporally non-local counterterms, in practice one can use an equivalent basis made of local operators. We give an explicit prescription to generate all counterterms allowed by the symmetries. Second, we present a formal proof of the well-known general argument that the contribution of short distance perturbations to large scale density contrast δ and momentum density π(k) scale as k 2 and k, respectively. Third, we demonstrate that the common practice of introducing counterterms only in the Euler equation when one is interested in correlators of δ is indeed valid to all orders.

  17. Inflation and large scale structure formation after COBE

    International Nuclear Information System (INIS)

    Schaefer, R.K.; Shafi, Q.

    1992-06-01

    The simplest realizations of the new inflationary scenario typically give rise to primordial density fluctuations which deviate logarithmically from the scale free Harrison-Zeldovich spectrum. We consider a number of such examples and, in each case we normalize the amplitude of the fluctuations with the recent COBE measurement of the microwave background anisotropy. The predictions for the bulk velocities as well as anisotropies on smaller (1-2 degrees) angular scales are compared with the Harrison-Zeldovich case. Deviations from the latter range from a few to about 15 percent. We also estimate the redshift beyond which the quasars would not be expected to be seen. The inflationary quasar cutoff redshifts can vary by as much as 25% from the Harrison-Zeldovich case. We find that the inflationary scenario provides a good starting point for a theory of large scale structure in the universe provided the dark matter is a combination of cold plus (10-30%) hot components. (author). 27 refs, 1 fig., 1 tab

  18. The scaling structure of the global road network.

    Science.gov (United States)

    Strano, Emanuele; Giometto, Andrea; Shai, Saray; Bertuzzo, Enrico; Mucha, Peter J; Rinaldo, Andrea

    2017-10-01

    Because of increasing global urbanization and its immediate consequences, including changes in patterns of food demand, circulation and land use, the next century will witness a major increase in the extent of paved roads built worldwide. To model the effects of this increase, it is crucial to understand whether possible self-organized patterns are inherent in the global road network structure. Here, we use the largest updated database comprising all major roads on the Earth, together with global urban and cropland inventories, to suggest that road length distributions within croplands are indistinguishable from urban ones, once rescaled to account for the difference in mean road length. Such similarity extends to road length distributions within urban or agricultural domains of a given area. We find two distinct regimes for the scaling of the mean road length with the associated area, holding in general at small and at large values of the latter. In suitably large urban and cropland domains, we find that mean and total road lengths increase linearly with their domain area, differently from earlier suggestions. Scaling regimes suggest that simple and universal mechanisms regulate urban and cropland road expansion at the global scale. As such, our findings bear implications for global road infrastructure growth based on land-use change and for planning policies sustaining urban expansions.

  19. Ion-Scale Structure in Mercury's Magnetopause Reconnection Diffusion Region

    Science.gov (United States)

    Gershman, Daniel J.; Dorelli, John C.; DiBraccio, Gina A.; Raines, Jim M.; Slavin, James A.; Poh, Gangkai; Zurbuchen, Thomas H.

    2016-01-01

    The strength and time dependence of the electric field in a magnetopause diffusion region relate to the rate of magnetic reconnection between the solar wind and a planetary magnetic field. Here we use approximately 150 milliseconds measurements of energetic electrons from the Mercury Surface, Space Environment, GEochemistry, and Ranging (MESSENGER) spacecraft observed over Mercury's dayside polar cap boundary (PCB) to infer such small-scale changes in magnetic topology and reconnection rates. We provide the first direct measurement of open magnetic topology in flux transfer events at Mercury, structures thought to account for a significant portion of the open magnetic flux transport throughout the magnetosphere. In addition, variations in PCB latitude likely correspond to intermittent bursts of approximately 0.3 to 3 millivolts per meter reconnection electric fields separated by approximately 5 to10 seconds, resulting in average and peak normalized dayside reconnection rates of approximately 0.02 and approximately 0.2, respectively. These data demonstrate that structure in the magnetopause diffusion region at Mercury occurs at the smallest ion scales relevant to reconnection physics.

  20. Small-scale structure in the diffuse interstellar medium

    International Nuclear Information System (INIS)

    Meyer, D.M.

    1990-01-01

    The initial results of a study to probe the small-scale structure in the diffuse interstellar medium (ISM) through IUE and optical observations of interstellar absorption lines toward both components of resolvable binary stars is reported. The binaries (Kappa CrA, 57 Aql, 59 And, HR 1609/10, 19 Lyn, and Theta Ser) observed with IUE have projected linear separations ranging from 5700 to 700 Au. Except for Kappa CrA, the strengths of the interstellar absorption lines toward both components of these binaries agree to within 10 percent. In the case of Kappa CrA, the optically thin interstellar Mg I and Mn II lines are about 50 percent stronger toward Kappa-2 CrA than Kappa-1 CrA. Higher resolution observations of interstellar Ca II show that this difference is concentrated in the main interstellar component at V(LSR) = 9 + or - 2 km/s. Interestingly, this velocity corresponds to an intervening cloud that may be associated with the prominent Loop I shell in the local ISM. Given the separation (23 arcsec) and distance (120 pc) of Kappa CrA, the line strength variations indicate that this cloud has structure on scales of 2800 AU or less. 21 refs

  1. Probing and Manipulating the Interfacial Defects of InGaAs Dual-Layer Metal Oxides at the Atomic Scale.

    Science.gov (United States)

    Wu, Xing; Luo, Chen; Hao, Peng; Sun, Tao; Wang, Runsheng; Wang, Chaolun; Hu, Zhigao; Li, Yawei; Zhang, Jian; Bersuker, Gennadi; Sun, Litao; Pey, Kinleong

    2018-01-01

    The interface between III-V and metal-oxide-semiconductor materials plays a central role in the operation of high-speed electronic devices, such as transistors and light-emitting diodes. The high-speed property gives the light-emitting diodes a high response speed and low dark current, and they are widely used in communications, infrared remote sensing, optical detection, and other fields. The rational design of high-performance devices requires a detailed understanding of the electronic structure at this interface; however, this understanding remains a challenge, given the complex nature of surface interactions and the dynamic relationship between the morphology evolution and electronic structures. Herein, in situ transmission electron microscopy is used to probe and manipulate the structural and electrical properties of ZrO 2 films on Al 2 O 3 and InGaAs substrate at the atomic scale. Interfacial defects resulting from the spillover of the oxygen-atom conduction-band wavefunctions are resolved. This study unearths the fundamental defect-driven interfacial electric structure of III-V semiconductor materials and paves the way to future high-speed and high-reliability devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Impact of metal pollution on fungal diversity and community structures.

    Science.gov (United States)

    Op De Beeck, Michiel; Lievens, Bart; Busschaert, Pieter; Rineau, Francois; Smits, Mark; Vangronsveld, Jaco; Colpaert, Jan V

    2015-06-01

    The impact of metal pollution on plant communities has been studied extensively in the past, but little is known about the effects of metal pollution on fungal communities that occur in metal-polluted soils. Metal-tolerant ecotypes of the ectomycorrhizal fungus Suillus luteus are frequently found in pioneer pine forests in the Campine region in Belgium on metal-polluted soils. We hypothesized that metal pollution would play an important role in shaping below-ground fungal communities that occur in these soils and that Suillus luteus would be a dominant player. To test these hypotheses, the fungal communities in a young pine plantation in soil polluted with zinc, and cadmium were studied using 454 amplicon pyrosequencing. Results show that zinc, cadmium and soil organic matter content were strongly correlated with the fungal community composition, but no effects on fungal diversity were observed. As hypothesized, S. luteus was found to be a dominant member of the studied fungal communities. However, other dominant fungal species, such as Sistotrema sp., Wilcoxina mikolae and Cadophora finlandica were found as well. Their presence in metal-polluted sites is discussed. © 2014 Society for Applied Microbiology and John Wiley & Sons Ltd.

  3. Probing galaxy growth through metallicity scaling relations over the past 12 Gyr of cosmic history

    Science.gov (United States)

    Sanders, Ryan; MOSDEF team

    2018-01-01

    A primary goal of galaxy evolution studies is to understand the processes governing the growth of the baryonic content of galaxies over cosmic history. Observations of galaxy metallicity scaling relations and their evolution with redshift, in combination with chemical evolution models, provide unique insight into the interplay between star formation, gas accretion, and feedback/outflows. I present measurements of the stellar mass-gas phase metallicity relation and its evolution over the past 12 Gyr from z~0 to z~3.5, utilizing data from the Mosfire Deep Evolution Field survey that uniquely provides rest-frame optical spectra of >1000 uniformly-selected galaxies at z=1.3-3.8. We find evolution towards lower metallicity at fixed stellar mass with increasing redshift that is consistent with current cosmological simulations including chemical evolution, with a large evolution of ~0.3 dex from z~0 to z~2.5 and minor evolution of 2, and discuss the potential of current and next-generation observational facilities to obtain statistical auroral-line samples at high redshifts.

  4. DETERMINING THE LARGE-SCALE ENVIRONMENTAL DEPENDENCE OF GAS-PHASE METALLICITY IN DWARF GALAXIES

    International Nuclear Information System (INIS)

    Douglass, Kelly A.; Vogeley, Michael S.

    2017-01-01

    We study how the cosmic environment affects galaxy evolution in the universe by comparing the metallicities of dwarf galaxies in voids with dwarf galaxies in more dense regions. Ratios of the fluxes of emission lines, particularly those of the forbidden [O iii] and [S ii] transitions, provide estimates of a region’s electron temperature and number density. From these two quantities and the emission line fluxes [O ii] λ 3727, [O iii] λ 4363, and [O iii] λλ 4959, 5007, we estimate the abundance of oxygen with the direct T e  method. We estimate the metallicity of 42 blue, star-forming void dwarf galaxies and 89 blue, star-forming dwarf galaxies in more dense regions using spectroscopic observations from the Sloan Digital Sky Survey Data Release 7, as reprocessed in the MPA-JHU value-added catalog. We find very little difference between the two sets of galaxies, indicating little influence from the large-scale environment on their chemical evolution. Of particular interest are a number of extremely metal-poor dwarf galaxies that are less prevalent in voids than in the denser regions.

  5. A Systematic Transport and Thermodynamic Study of Heavy Transition Metal Oxides with Hexagonal Structure

    Science.gov (United States)

    Butrouna, Kamal

    There is no apparent, dominant interaction in heavy transition metal oxides (TMO), especially in 5d-TMO, where all relevant interactions are of comparable energy scales, and therefore strongly compete. In particular, the spin-orbit interaction (SOI) strongly competes with the electron-lattice and on-site Coulomb interaction (U). Therefore, any tool that allows one to tune the relative strengths of SOI and U is expected to offer an opportunity for the discovery and study of novel materials. BaIrO3 is a magnetic insulator driven by SOI, whereas the isostructural BaRuO3 is a paramagnetic metal. The contrasting ground states have been shown to result from the critical role of SOI in the iridate. This dissertation thoroughly examines a wide array of newly observed novel phenomena induced by adjusting the relative strengths of SOI and U via a systematic chemical substitution of the Ru4+(4d 4) ions for Ir4+(5d5) ions in BaIrO3, i.e., in high quality single crystals of BaIr1--x RuxO3(0.0 ≤ x ≤ 1.0). Our investigation of structural, magnetic, transport and thermal properties reveals that Ru substitution directly rebalances the competing energies so profoundly that it generates a rich phase diagram for BaIr 1--xRuxO 3 featuring two major effects: (1) Light Ru doping (0 ≤ x ≤ 0.15) prompts a simultaneous and precipitous drop in both the magnetic ordering temperature TC and the electrical resistivity, which exhibits metal-insulator transition at around TC. (2) Heavier Ru doping (0.41 ≤ x ≤ 0.82) induces a robust metallic and spin frustration state. For comparison and contrast, we also substituted Rh4+(4d 5) ions for Ir4+(5d5) ions in BaIrO3, i.e. in BaIr1--xRhxO 3(0.0 ≤ x ≤ 0.1), where Rh only reduces the SOI, but without altering the band filling. Hence, this system remains tuned at the Mott instability and is very susceptible to disorder scattering which gives rise to Anderson localization. KEYWORDS: spin-orbit interaction, heavy transition metal oxides

  6. Perspective on Structural Evolution and Relations with Thermophysical Properties of Metallic Liquids.

    Science.gov (United States)

    Wang, Xiao-Dong; Jiang, Jian-Zhong

    2017-11-01

    The relationship between the structural evolution and properties of metallic liquids is a long-standing hot issue in condensed-matter physics and materials science. Here, recent progress is reviewed in several fundamental aspects of metallic liquids, including the methods to study their atomic structures, liquid-liquid transition, physical properties, fragility, and their correlations with local structures, together with potential applications of liquid metals at room temperature. Involved with more experimentally and theoretically advanced techniques, these studies provide more in-depth understanding of the structure-property relationship of metallic liquids and promote the design of new metallic materials with superior properties. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Using Moss to Detect Fine-Scaled Deposition of Heavy Metals in Urban Environments

    Science.gov (United States)

    Jovan, S.; Donovan, G.; Demetrios, G.; Monleon, V. J.; Amacher, M. C.

    2017-12-01

    Mosses are commonly used as bio-indicators of heavy metal deposition to forests. Their application in urban airsheds is relatively rare. Our objective was to develop fine-scaled, city-wide maps for heavy metals in Portland, Oregon, to identify pollution "hotspots" and serve as a screening tool for more effective placement of air quality monitoring instruments. In 2013 we measured twenty-two elements in epiphytic moss sampled on a 1km x1km sampling grid (n = 346). We detected large hotspots of cadmium and arsenic in two neighborhoods associated with stained glass manufacturers. Air instruments deployed by local regulators measured cadmium concentrations 49 times and arsenic levels 155 times the state health benchmarks. Moss maps also detected a large nickel hotspot in a neighborhood near a forge where air instruments later measured concentrations 4 times the health benchmark. In response, the facilities implemented new pollution controls, air quality improved in all three affected neighborhoods, revision of regulations for stained glass furnace emissions are underway, and Oregon's governor launched an initiative to develop health-based (vs technology-based) regulations for air toxics in the state. The moss maps also indicated a couple dozen smaller hotspots of heavy metals, including lead, chromium, and cobalt, in Portland neighborhoods. Ongoing follow-up work includes: 1) use of moss sampling by local regulators to investigate source and extent of the smaller hotspots, 2) use of lead isotopes to determine origins of higher lead levels observed in moss collected from the inner city, and 3) co-location of air instruments and moss sampling to determine accuracy, timeframe represented, and seasonality of heavy metals in moss.

  8. Structural systematics of some metal complexes with 4,5 ...

    Indian Academy of Sciences (India)

    study reveals that each metal(II) centre in the four complexes adopts distorted octahedral geometry with MN6 ... potassium permanganate (E Merck, India), potassium. 717 ... The final reaction solu- ..... ble in water, methanol, acetonitrile, etc.

  9. The electronic structure of normal metal-superconductor bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Halterman, Klaus; Elson, J Merle [Sensor and Signal Sciences Division, Naval Air Warfare Center, China Lake, CA 93355 (United States)

    2003-09-03

    We study the electronic properties of ballistic thin normal metal-bulk superconductor heterojunctions by solving the Bogoliubov-de Gennes equations in the quasiclassical and microscopic 'exact' regimes. In particular, the significance of the proximity effect is examined through a series of self-consistent calculations of the space-dependent pair potential {delta}(r). It is found that self-consistency cannot be neglected for normal metal layer widths smaller than the superconducting coherence length {xi}{sub 0}, revealing its importance through discernible features in the subgap density of states. Furthermore, the exact self-consistent treatment yields a proximity-induced gap in the normal metal spectrum, which vanishes monotonically when the normal metal length exceeds {xi}{sub 0}. Through a careful analysis of the excitation spectra, we find that quasiparticle trajectories with wavevectors oriented mainly along the interface play a critical role in the destruction of the energy gap.

  10. On soft limits of large-scale structure correlation functions

    International Nuclear Information System (INIS)

    Sagunski, Laura

    2016-08-01

    Large-scale structure surveys have the potential to become the leading probe for precision cosmology in the next decade. To extract valuable information on the cosmological evolution of the Universe from the observational data, it is of major importance to derive accurate theoretical predictions for the statistical large-scale structure observables, such as the power spectrum and the bispectrum of (dark) matter density perturbations. Hence, one of the greatest challenges of modern cosmology is to theoretically understand the non-linear dynamics of large-scale structure formation in the Universe from first principles. While analytic approaches to describe the large-scale structure formation are usually based on the framework of non-relativistic cosmological perturbation theory, we pursue another road in this thesis and develop methods to derive generic, non-perturbative statements about large-scale structure correlation functions. We study unequal- and equal-time correlation functions of density and velocity perturbations in the limit where one of their wavenumbers becomes small, that is, in the soft limit. In the soft limit, it is possible to link (N+1)-point and N-point correlation functions to non-perturbative 'consistency conditions'. These provide in turn a powerful tool to test fundamental aspects of the underlying theory at hand. In this work, we first rederive the (resummed) consistency conditions at unequal times by using the so-called eikonal approximation. The main appeal of the unequal-time consistency conditions is that they are solely based on symmetry arguments and thus are universal. Proceeding from this, we direct our attention to consistency conditions at equal times, which, on the other hand, depend on the interplay between soft and hard modes. We explore the existence and validity of equal-time consistency conditions within and beyond perturbation theory. For this purpose, we investigate the predictions for the soft limit of the

  11. On soft limits of large-scale structure correlation functions

    Energy Technology Data Exchange (ETDEWEB)

    Sagunski, Laura

    2016-08-15

    Large-scale structure surveys have the potential to become the leading probe for precision cosmology in the next decade. To extract valuable information on the cosmological evolution of the Universe from the observational data, it is of major importance to derive accurate theoretical predictions for the statistical large-scale structure observables, such as the power spectrum and the bispectrum of (dark) matter density perturbations. Hence, one of the greatest challenges of modern cosmology is to theoretically understand the non-linear dynamics of large-scale structure formation in the Universe from first principles. While analytic approaches to describe the large-scale structure formation are usually based on the framework of non-relativistic cosmological perturbation theory, we pursue another road in this thesis and develop methods to derive generic, non-perturbative statements about large-scale structure correlation functions. We study unequal- and equal-time correlation functions of density and velocity perturbations in the limit where one of their wavenumbers becomes small, that is, in the soft limit. In the soft limit, it is possible to link (N+1)-point and N-point correlation functions to non-perturbative 'consistency conditions'. These provide in turn a powerful tool to test fundamental aspects of the underlying theory at hand. In this work, we first rederive the (resummed) consistency conditions at unequal times by using the so-called eikonal approximation. The main appeal of the unequal-time consistency conditions is that they are solely based on symmetry arguments and thus are universal. Proceeding from this, we direct our attention to consistency conditions at equal times, which, on the other hand, depend on the interplay between soft and hard modes. We explore the existence and validity of equal-time consistency conditions within and beyond perturbation theory. For this purpose, we investigate the predictions for the soft limit of the

  12. Nonlinear Analysis and Scaling Laws for Noncircular Composite Structures Subjected to Combined Loads

    Science.gov (United States)

    Hilburger, Mark W.; Rose, Cheryl A.; Starnes, James H., Jr.

    2001-01-01

    Results from an analytical study of the response of a built-up, multi-cell noncircular composite structure subjected to combined internal pressure and mechanical loads are presented. Nondimensional parameters and scaling laws based on a first-order shear-deformation plate theory are derived for this noncircular composite structure. The scaling laws are used to design sub-scale structural models for predicting the structural response of a full-scale structure representative of a portion of a blended-wing-body transport aircraft. Because of the complexity of the full-scale structure, some of the similitude conditions are relaxed for the sub-scale structural models. Results from a systematic parametric study are used to determine the effects of relaxing selected similitude conditions on the sensitivity of the effectiveness of using the sub-scale structural model response characteristics for predicting the full-scale structure response characteristics.

  13. Multi-Scale Modification of Metallic Implants With Pore Gradients, Polyelectrolytes and Their Indirect Monitoring In vivo

    OpenAIRE

    Vrana, Nihal E.; Dupret-Bories, Agnes; Chaubaroux, Christophe; Rieger, Elisabeth; Debry, Christian; Vautier, Dominique; Metz-Boutigue, Marie-Helene; Lavalle, Philippe

    2013-01-01

    Metallic implants, especially titanium implants, are widely used in clinical applications. Tissue in-growth and integration to these implants in the tissues are important parameters for successful clinical outcomes. In order to improve tissue integration, porous metallic implants have being developed. Open porosity of metallic foams is very advantageous, since the pore areas can be functionalized without compromising the mechanical properties of the whole structure. Here we describe such modi...

  14. Broadband Structural Dynamics: Understanding the Impulse-Response of Structures Across Multiple Length and Time Scales

    Science.gov (United States)

    2010-08-18

    Spectral domain response calculated • Time domain response obtained through inverse transform Approach 4: WASABI Wavelet Analysis of Structural Anomalies...differences at unity scale! Time Function Transform Apply Spectral Domain Transfer Function Time Function Inverse Transform Transform Transform  mtP

  15. Metal Oxide Nanomaterial QNAR Models: Available Structural Descriptors and Understanding of Toxicity Mechanisms

    Directory of Open Access Journals (Sweden)

    Jiali Ying

    2015-10-01

    Full Text Available Metal oxide nanomaterials are widely used in various areas; however, the divergent published toxicology data makes it difficult to determine whether there is a risk associated with exposure to metal oxide nanomaterials. The application of quantitative structure activity relationship (QSAR modeling in metal oxide nanomaterials toxicity studies can reduce the need for time-consuming and resource-intensive nanotoxicity tests. The nanostructure and inorganic composition of metal oxide nanomaterials makes this approach different from classical QSAR study; this review lists and classifies some structural descriptors, such as size, cation charge, and band gap energy, in recent metal oxide nanomaterials quantitative nanostructure activity relationship (QNAR studies and discusses the mechanism of metal oxide nanomaterials toxicity based on these descriptors and traditional nanotoxicity tests.

  16. Nano-structured noble metal catalysts based on hexametallate architecture for the reforming of hydrocarbon fuels

    Science.gov (United States)

    Gardner, Todd H.

    2015-09-15

    Nano-structured noble metal catalysts based on hexametallate lattices, of a spinel block type, and which are resistant to carbon deposition and metal sulfide formation are provided. The catalysts are designed for the reforming of hydrocarbon fuels to synthesis gas. The hexametallate lattices are doped with noble metals (Au, Pt, Rh, Ru) which are atomically dispersed as isolated sites throughout the lattice and take the place of hexametallate metal ions such as Cr, Ga, In, and/or Nb. Mirror cations in the crystal lattice are selected from alkali metals, alkaline earth metals, and the lanthanide metals, so as to reduce the acidity of the catalyst crystal lattice and enhance the desorption of carbon deposit forming moieties such as aromatics. The catalysts can be used at temperatures as high as 1000.degree. C. and pressures up to 30 atmospheres. A method for producing these catalysts and applications of their use also is provided.

  17. Analysis of fluid lubrication mechanisms in metal forming at mesoscopic scale

    DEFF Research Database (Denmark)

    Dubar, L.; Hubert, C.; Christiansen, Peter

    2012-01-01

    The lubricant entrapment and escape phenomena in metal forming are studied experimentally as well as numerically. Experiments are carried out in strip reduction of aluminium sheet applying a transparent die to study the fluid flow between mesoscopic cavities. The numerical analysis involves two...... computation steps. The first one is a fully coupled fluid-structure Finite Element computation, where pockets in the surface are plastically deformed leading to the pressurization of the entrapped fluid. The second step computes the fluid exchange between cavities through the plateaus of asperity contacts...

  18. A new model of dispersion for metals leading to a more accurate modeling of plasmonic structures using the FDTD method

    Energy Technology Data Exchange (ETDEWEB)

    Vial, A.; Dridi, M.; Cunff, L. le [Universite de Technologie de Troyes, Institut Charles Delaunay, CNRS UMR 6279, Laboratoire de Nanotechnologie et d' Instrumentation Optique, 12, rue Marie Curie, BP-2060, Troyes Cedex (France); Laroche, T. [Universite de Franche-Comte, Institut FEMTO-ST, CNRS UMR 6174, Departement de Physique et de Metrologie des Oscillateurs, Besancon Cedex (France)

    2011-06-15

    We present FDTD simulations results obtained using the Drude critical points model. This model enables spectroscopic studies of metallic structures over wider wavelength ranges than usually used, and it facilitates the study of structures made of several metals. (orig.)

  19. Current-Voltage Characteristics of the Metal / Organic Semiconductor / Metal Structures: Top and Bottom Contact Configuration Case

    Directory of Open Access Journals (Sweden)

    Šarūnas MEŠKINIS

    2013-03-01

    Full Text Available In present study five synthesized organic semiconductor compounds have been used for fabrication of the planar metal / organic semiconductor / metal structures. Both top electrode and bottom electrode configurations were used. Current-voltage (I-V characteristics of the samples were investigated. Effect of the hysteresis of the I-V characteristics was observed for all the investigated samples. However, strength of the hysteresis was dependent on the organic semiconductor used. Study of I-V characteristics of the top contact Al/AT-RB-1/Al structures revealed, that in (0 – 500 V voltages range average current of the samples measured in air is only slightly higher than current measured in nitrogen ambient. Deposition of the ultra-thin diamond like carbon interlayer resulted in both decrease of the hysteresis of I-V characteristics of top contact Al/AT-RB-1/Al samples. However, decreased current and decreased slope of the I-V characteristics of the samples with diamond like carbon interlayer was observed as well. I-V characteristic hysteresis effect was less pronounced in the case of the bottom contact metal/organic semiconductor/metal samples. I-V characteristics of the bottom contact samples were dependent on electrode metal used.DOI: http://dx.doi.org/10.5755/j01.ms.19.1.3816

  20. Magneto-Induced ac Electrical Permittivity of Metal-Dielectric Composites with a Two Characteristic Length Scales Periodic Microstructure

    International Nuclear Information System (INIS)

    Strelniker, Y.M.; Bergman, D.J.

    1998-01-01

    A new effect was recently predicted in conducting composites that have a periodic microstructure: an induced strongly anisotropic dc magneto-resistance. This phenomenon is already verified on high mobility n-GaAs films. Here we discuss the possibility of observing analogous behavior in the ac electric permittivity of a metal-dielectric composite with a periodic microstructure in the presence of a strong magnetic field. We developed new analytical and numerical methods to treat the low-frequency magneto-optical properties in composite media with both disordered and periodic conducting micro-structures. Those methods allow us to study composites with inclusions of arbitrary shape (and arbitrary volume fraction) at arbitrarily strong magnetic field. This is exploited in order to calculate an effective dielectric tensor for this system as a function of applied magnetic field and ac frequency. We show that in a non-dilute metal-dielectric composite medium the magneto-plasma resonance and the cyclotron resonance depend upon both the applied magnetic field as well as on the geometric shape of the inclusion. Near such a resonance, it is possible to achieve large values for the ratio of the off-diagonal-to-diagonal electric permittivity tensor components, ε xy /ε xx , (since ε xx →0, while ε xy ≠0), which is analogous to similar ratio of the resistivity tensor components, ρ xy /ρ xx , in the case of dc magneto-transport problem. Motivated by this observation and by results of previous studies of dc magneto-transport in composite conductors, we then performed a numerical study of the ac magneto-electric properties of a particular metal-dielectric composite film with a periodic columnar microstructure which has a two characteristic length scales. The unit cell of such composite is prepared as follows: We placed the conducting square (in cross section) rods (first characteristic length scale) along the perimeter of the unit cell in order to create a dielectric host

  1. Ionochromic effects and structures of metalated poly(p-phenylenevinylene) polymers incorporating 2,2'-bipyridines

    International Nuclear Information System (INIS)

    Chen, L.X.; Jager, W.J.H.; Gosztola, D.J.; Niemczyk, M.P.; Wasielewski, M.R.

    2000-01-01

    The effects of metal ion chelation to the 2,2'-bipyridine (bpy) groups on the photophysics and exciton dynamics of two conjugated polymers 1 and 2 in solution are investigated. The structures of polymers 1 and 2 have 2,2'-bipyridyl-5-vinylene units that alternate with one and three 2,5-bis(n-decyloxy)-1,4-phenylenevinylene monomer units, respectively. The photophysics and exciton dynamics of metalated polymers 1 and 2 are compared to those of the metal-free polymers (Chen et al. J. Phys. Chem. A 1999, 103, 4341-4351). The origins of ionochromic effects due the metal ion chelation were studied using both steady-state and transient optical spectroscopy, and the results indicate that both conformational flattening and participation of Jr electrons from the metal in the π-conjugation of the polymer backbone play important roles in metal ion binding induced red shifts in absorption and photoluminescence spectra. The photoluminescence properties of the metalated polymers are determined by the metal ion electronic structures, where the closed shell Zn 2+ -bound polymer 2 has an increased photoluminescence quantum yield and the corresponding open shell Ni 2+ - or Fe 3+ -bound polymers have quenched photoluminescence due to spin-orbit coupling. The dual character of metalated polymer 2 as a conjugated polymer and as a metal-bpy complex is discussed. In addition, the structures of metal ion binding sites are studied via X-ray absorption fine structure (XAFS) and are related to the photophysical properties of the metalated polymers

  2. Factor structure and concurrent validity of the world assumptions scale.

    Science.gov (United States)

    Elklit, Ask; Shevlin, Mark; Solomon, Zahava; Dekel, Rachel

    2007-06-01

    The factor structure of the World Assumptions Scale (WAS) was assessed by means of confirmatory factor analysis. The sample was comprised of 1,710 participants who had been exposed to trauma that resulted in whiplash. Four alternative models were specified and estimated using LISREL 8.72. A correlated 8-factor solution was the best explanation of the sample data. The estimates of reliability of eight subscales of the WAS ranged from .48 to .82. Scores from five subscales correlated significantly with trauma severity as measured by the Harvard Trauma Questionnaire, although the magnitude of the correlations was low to modest, ranging from .08 to -.43. It is suggested that the WAS has adequate psychometric properties for use in both clinical and research settings.

  3. Towards a 'standard model' of large scale structure formation

    International Nuclear Information System (INIS)

    Shafi, Q.

    1994-01-01

    We explore constraints on inflationary models employing data on large scale structure mainly from COBE temperature anisotropies and IRAS selected galaxy surveys. In models where the tensor contribution to the COBE signal is negligible, we find that the spectral index of density fluctuations n must exceed 0.7. Furthermore the COBE signal cannot be dominated by the tensor component, implying n > 0.85 in such models. The data favors cold plus hot dark matter models with n equal or close to unity and Ω HDM ∼ 0.2 - 0.35. Realistic grand unified theories, including supersymmetric versions, which produce inflation with these properties are presented. (author). 46 refs, 8 figs

  4. Testing Inflation with Large Scale Structure: Connecting Hopes with Reality

    Energy Technology Data Exchange (ETDEWEB)

    Alvarez, Marcello [Univ. of Toronto, ON (Canada); Baldauf, T. [Inst. of Advanced Studies, Princeton, NJ (United States); Bond, J. Richard [Univ. of Toronto, ON (Canada); Canadian Inst. for Advanced Research, Toronto, ON (Canada); Dalal, N. [Univ. of Illinois, Urbana-Champaign, IL (United States); Putter, R. D. [Jet Propulsion Lab., Pasadena, CA (United States); California Inst. of Technology (CalTech), Pasadena, CA (United States); Dore, O. [Jet Propulsion Lab., Pasadena, CA (United States); California Inst. of Technology (CalTech), Pasadena, CA (United States); Green, Daniel [Univ. of Toronto, ON (Canada); Canadian Inst. for Advanced Research, Toronto, ON (Canada); Hirata, Chris [The Ohio State Univ., Columbus, OH (United States); Huang, Zhiqi [Univ. of Toronto, ON (Canada); Huterer, Dragan [Univ. of Michigan, Ann Arbor, MI (United States); Jeong, Donghui [Pennsylvania State Univ., University Park, PA (United States); Johnson, Matthew C. [York Univ., Toronto, ON (Canada); Perimeter Inst., Waterloo, ON (Canada); Krause, Elisabeth [Stanford Univ., CA (United States); Loverde, Marilena [Univ. of Chicago, IL (United States); Meyers, Joel [Univ. of Toronto, ON (Canada); Meeburg, Daniel [Univ. of Toronto, ON (Canada); Senatore, Leonardo [Stanford Univ., CA (United States); Shandera, Sarah [Pennsylvania State Univ., University Park, PA (United States); Silverstein, Eva [Stanford Univ., CA (United States); Slosar, Anze [Brookhaven National Lab. (BNL), Upton, NY (United States); Smith, Kendrick [Perimeter Inst., Waterloo, Toronto, ON (Canada); Zaldarriaga, Matias [Univ. of Toronto, ON (Canada); Assassi, Valentin [Cambridge Univ. (United Kingdom); Braden, Jonathan [Univ. of Toronto, ON (Canada); Hajian, Amir [Univ. of Toronto, ON (Canada); Kobayashi, Takeshi [Perimeter Inst., Waterloo, Toronto, ON (Canada); Univ. of Toronto, ON (Canada); Stein, George [Univ. of Toronto, ON (Canada); Engelen, Alexander van [Univ. of Toronto, ON (Canada)

    2014-12-15

    The statistics of primordial curvature fluctuations are our window into the period of inflation, where these fluctuations were generated. To date, the cosmic microwave background has been the dominant source of information about these perturbations. Large-scale structure is, however, from where drastic improvements should originate. In this paper, we explain the theoretical motivations for pursuing such measurements and the challenges that lie ahead. In particular, we discuss and identify theoretical targets regarding the measurement of primordial non-Gaussianity. We argue that when quantified in terms of the local (equilateral) template amplitude f$loc\\atop{NL}$ (f$eq\\atop{NL}$), natural target levels of sensitivity are Δf$loc, eq\\atop{NL}$ ≃ 1. We highlight that such levels are within reach of future surveys by measuring 2-, 3- and 4-point statistics of the galaxy spatial distribution. This paper summarizes a workshop held at CITA (University of Toronto) on October 23-24, 2014.

  5. Factor structure of the Japanese Interpersonal Competence Scale.

    Science.gov (United States)

    Matsudaira, Tomomi; Fukuhara, Taihei; Kitamura, Toshinori

    2008-04-01

    Assessing social competence is important for clinical and preventive interventions of depression. The aim of the present paper was to examine the factor structure of the Japanese Interpersonal Competence Scale (JICS). Exploratory and confirmatory factor analysis was performed on the survey responses of 730 participants. Simultaneous multigroup analyses were conducted to confirm factor stability across psychological health status and sex differences. Two factors, which represent Perceptive Ability and Self-Restraint, were confirmed to show a moderate correlation. Perceptive Ability involves a more cognitive aspect of social competence, while Self-Restraint involves a more behavioral aspect, both of which are considered to reflect the emotion-based relating style specific to the Japanese people: indulgent dependence (amae) and harmony (wa). In addition, Self-Restraint may be linked to social functioning. Both constructs may confound a respondent's perceived confidence. Despite its shortcomings, the JICS is a unique measure of social competence in the Japanese cultural context.

  6. Cosmological perturbations from quantum fluctuations to large scale structure

    International Nuclear Information System (INIS)

    Bardeen, J.M.

    1988-01-01

    Classical perturbation theory is developed from the 3 + 1 form of the Einstein equations. A somewhat unusual form of the perturbation equations in the synchronous gauge is recommended for carrying out computations, but interpretation is based on certain hypersurface-invariant combinations of the variables. The formalism is used to analyze the origin of density perturbations from quantum fluctuations during inflation, with particular emphasis on dealing with 'double inflation' and deviations from the Zel'dovich spectrum. The evolution of the density perturbation to the present gives the final density perturbation power spectrum, whose relationship to observed large scale structure is discussed in the context of simple cold-dark-matter biasing schemes. 86 refs

  7. Iron phosphate glasses: Bulk properties and atomic scale structure

    Energy Technology Data Exchange (ETDEWEB)

    Joseph, Kitheri; Stennett, Martin C.; Hyatt, Neil C.; Asuvathraman, R.; Dube, Charu L.; Gandy, Amy S.; Govindan Kutty, K. V.; Jolley, Kenny; Vasudeva Rao, P. R.; Smith, Roger

    2017-10-01

    Bulk properties such as glass transition temperature, density and thermal expansion of iron phosphate glass compositions, with replacement of Cs by Ba, are investigated as a surrogate for the transmutation of 137Cs to 137Ba, relevant to the immobilisation of Cs in glass. These studies are required to establish the appropriate incorporation rate of 137Cs in iron phosphate glass. Density and glass transition temperature increases with the addition of BaO indicating the shrinkage and reticulation of the iron phosphate glass network. The average thermal expansion coefficient reduces from 19.8 × 10-6 K-1 to 13.4 × 10-6 K-1, when 25 wt. % of Cs2O was replaced by 25 wt. % of BaO in caesium loaded iron phosphate glass. In addition to the above bulk properties, the role of Ba as a network modifier in the structure of iron phosphate glass is examined using various spectroscopic techniques. The FeII content and average coordination number of iron in the glass network was estimated using Mössbauer spectroscopy. The FeII content in the un-doped iron phosphate glass and barium doped iron phosphate glasses was 20, 21 and 22 ± 1% respectively and the average Fe coordination varied from 5.3 ± 0.2 to 5.7 ± 0.2 with increasing Ba content. The atomic scale structure was further probed by Fe K-edge X-ray absorption spectroscopy. The average coordination number provided by extended X-ray absorption fine structure spectroscopy and X-ray absorption near edge structure was in good agreement with that given by the Mössbauer data.

  8. Inflationary tensor fossils in large-scale structure

    Energy Technology Data Exchange (ETDEWEB)

    Dimastrogiovanni, Emanuela [School of Physics and Astronomy, University of Minnesota, Minneapolis, MN 55455 (United States); Fasiello, Matteo [Department of Physics, Case Western Reserve University, Cleveland, OH 44106 (United States); Jeong, Donghui [Department of Astronomy and Astrophysics, The Pennsylvania State University, University Park, PA 16802 (United States); Kamionkowski, Marc, E-mail: ema@physics.umn.edu, E-mail: mrf65@case.edu, E-mail: duj13@psu.edu, E-mail: kamion@jhu.edu [Department of Physics and Astronomy, 3400 N. Charles St., Johns Hopkins University, Baltimore, MD 21218 (United States)

    2014-12-01

    Inflation models make specific predictions for a tensor-scalar-scalar three-point correlation, or bispectrum, between one gravitational-wave (tensor) mode and two density-perturbation (scalar) modes. This tensor-scalar-scalar correlation leads to a local power quadrupole, an apparent departure from statistical isotropy in our Universe, as well as characteristic four-point correlations in the current mass distribution in the Universe. So far, the predictions for these observables have been worked out only for single-clock models in which certain consistency conditions between the tensor-scalar-scalar correlation and tensor and scalar power spectra are satisfied. Here we review the requirements on inflation models for these consistency conditions to be satisfied. We then consider several examples of inflation models, such as non-attractor and solid-inflation models, in which these conditions are put to the test. In solid inflation the simplest consistency conditions are already violated whilst in the non-attractor model we find that, contrary to the standard scenario, the tensor-scalar-scalar correlator probes directly relevant model-dependent information. We work out the predictions for observables in these models. For non-attractor inflation we find an apparent local quadrupolar departure from statistical isotropy in large-scale structure but that this power quadrupole decreases very rapidly at smaller scales. The consistency of the CMB quadrupole with statistical isotropy then constrains the distance scale that corresponds to the transition from the non-attractor to attractor phase of inflation to be larger than the currently observable horizon. Solid inflation predicts clustering fossils signatures in the current galaxy distribution that may be large enough to be detectable with forthcoming, and possibly even current, galaxy surveys.

  9. Ferromagnetism and temperature-dependent electronic structure in metallic films

    International Nuclear Information System (INIS)

    Herrmann, T.

    1999-01-01

    In this work the influence of the reduced translational symmetry on the magnetic properties of thin itinerant-electron films and surfaces is investigated within the strongly correlated Hubbard model. Firstly, the possibility of spontaneous ferromagnetism in the Hubbard model is discussed for the case of systems with full translational symmetry. Different approximation schemes for the solution of the many-body problem of the Hubbard model are introduced and discussed in detail. It is found that it is vital for a reasonable description of spontaneous ferromagnetism to be consistent with exact results concerning the general shape of the single-electron spectral density in the limit of strong Coulomb interaction between the electrons. The temperature dependence of the ferromagnetic solutions is discussed in detail by use of the magnetization curves as well as the spin-dependent quasi particle spectrum. For the investigation of thin films and surfaces the approximation schemes for the bulk system have to be generalized to deal with the reduced translational symmetry. The magnetic behavior of thin Hubbard films is investigated by use of the layer dependent magnetization as a function of temperature as well as the thickness of the film. The Curie-temperature is calculated as a function of the film thickness. Further, the magnetic stability at the surface is discussed in detail. Here it is found that for strong Coulomb interaction the magnetic stability at finite temperatures is reduced at the surface compared to the inner layers. This observation clearly contradicts the well-known Stoner picture of band magnetism and can be explained in terms of general arguments which are based on exact results in the limit of strong Coulomb interaction. The magnetic behavior of the Hubbard films can be analyzed in detail by inspecting the local quasi particle density of states as well as the wave vector dependent spectral density. The electronic structure is found to be strongly spin

  10. EFT of large scale structures in redshift space

    Science.gov (United States)

    Lewandowski, Matthew; Senatore, Leonardo; Prada, Francisco; Zhao, Cheng; Chuang, Chia-Hsun

    2018-03-01

    We further develop the description of redshift-space distortions within the effective field theory of large scale structures. First, we generalize the counterterms to include the effect of baryonic physics and primordial non-Gaussianity. Second, we evaluate the IR resummation of the dark matter power spectrum in redshift space. This requires us to identify a controlled approximation that makes the numerical evaluation straightforward and efficient. Third, we compare the predictions of the theory at one loop with the power spectrum from numerical simulations up to ℓ=6 . We find that the IR resummation allows us to correctly reproduce the baryon acoustic oscillation peak. The k reach—or, equivalently, the precision for a given k —depends on additional counterterms that need to be matched to simulations. Since the nonlinear scale for the velocity is expected to be longer than the one for the overdensity, we consider a minimal and a nonminimal set of counterterms. The quality of our numerical data makes it hard to firmly establish the performance of the theory at high wave numbers. Within this limitation, we find that the theory at redshift z =0.56 and up to ℓ=2 matches the data at the percent level approximately up to k ˜0.13 h Mpc-1 or k ˜0.18 h Mpc-1 , depending on the number of counterterms used, with a potentially large improvement over former analytical techniques.

  11. Evolution of grain structure in nickel oxide scales

    International Nuclear Information System (INIS)

    Atkinson, H.V.

    1987-01-01

    In systems such as the oxidation of nickel, in which grain-boundary diffusion in the oxide can control the rate of oxidation, understanding of the factors governing the grain structure is of importance. High-purity mechanically polished polycrystalline nickel was oxidized at 700 0 C, 800 0 C, and 1000 0 C for times up to 20 hr in 1 atm O 2 . The scale microstructures were examined by parallel and transverse cross section transmission electron microscopy (TEM) and scanning electron microscopy (SEM). Texture coefficients were found by x-ray diffraction (XRD). Each grain in the transverse section grain boundary networks was systematically analyzed for width parallel to the Ni-NiO interface and perpendicular length, for boundary radius of curvature and for number of sides. The variation of these parameters with depth in the scale was examined. In particular, grains were increasingly columnar (i.e., with ratio of grain length to width > 1) at higher temperatures and longer times. Columnar grain boundaries tended to be fairly static; the columnar grain width was less than the rate controlling grain size predicted from the oxidation rate. The mean boundary curvature per grain provided a guide to the tendency for grain growth, except in the region of the Ni-NiO interface, where the boundaries were thought to be pinned

  12. Validity and factor structure of the bodybuilding dependence scale.

    Science.gov (United States)

    Smith, D; Hale, B

    2004-04-01

    To investigate the factor structure, validity, and reliability of the bodybuilding dependence scale and to investigate differences in bodybuilding dependence between men and women and competitive and non-competitive bodybuilders. Seventy two male competitive bodybuilders, 63 female competitive bodybuilders, 87 male non-competitive bodybuilders, and 63 non-competitive female bodybuilders completed the bodybuilding dependence scale (BDS), the exercise dependence questionnaire (EDQ), and the muscle dysmorphia inventory (MDI). Confirmatory factor analysis of the BDS supported a three factor model of bodybuilding dependence, consisting of social dependence, training dependence, and mastery dependence (Q = 3.16, CFI = 0.98, SRMR = 0.04). Internal reliability of all three subscales was high (Cronbach's alpha = 0.92, 0.92, and 0.93 respectively). Significant (pbodybuilders scored significantly (pbodybuilders. However, there were no significant sex differences on any of the BDS subscales (p>0.05). The three factor BDS appears to be a reliable and valid measure of bodybuilding dependence. Symptoms of bodybuilding dependence are more prevalent in competitive bodybuilders than non-competitive ones, but there are no significant sex differences in bodybuilding dependence.

  13. Large-Scale Structure Behind The Milky Way with ALFAZOA

    Science.gov (United States)

    Sanchez Barrantes, Monica; Henning, Patricia A.; Momjian, Emmanuel; McIntyre, Travis; Minchin, Robert F.

    2018-06-01

    The region of the sky behind the Milky Way (the Zone of Avoidance; ZOA) is not well studied due to high obscuration from gas and dust in our galaxy as well as stellar confusion, which results in low detection rate of galaxies in this region. Because of this, little is known about the distribution of galaxies in the ZOA, and other all sky redshift surveys have incomplete maps (e.g. the 2MASS Redshift survey in NIR has a gap of 5-8 deg around the Galactic plane). There is still controversy about the dipole anisotropy calculated from the comparison between the CMB and galaxy and redshift surveys, in part due to the incomplete sky mapping and redshift depth of these surveys. Fortunately, there is no ZOA at radio wavelengths because such wavelengths can pass unimpeded through dust and are not affected by stellar confusion. Therefore, we can detect and make a map of the distribution of obscured galaxies that contain the 21cm neutral hydrogen emission line, and trace the large-scale structure across the Galactic plane. The Arecibo L-Band Feed Array Zone of Avoidance (ALFAZOA) survey is a blind HI survey for galaxies behind the Milky Way that covers more than 1000 square degrees of the sky, conducted in two phases: shallow (completed) and deep (ongoing). We show the results of the finished shallow phase of the survey, which mapped a region between the galactic longitude l=30-75 deg, and latitude b <|10 deg|, and detected 418 galaxies to about 12,000 km/s, including galaxy properties and mapped large-scale structure. We do the same for new results from the deep phase, which is ongoing and covers 30 < l < 75 deg and b < |2| deg for the inner galaxy and 175 < l < 207 deg, with -2 < b < 1 for the outer galaxy.

  14. Kinetic and structural fragility—a correlation between structures and dynamics in metallic liquids and glasses

    International Nuclear Information System (INIS)

    Kelton, K F

    2017-01-01

    The liquid phase remains poorly understood. In many cases, the densities of liquids and their crystallized solid phases are similar, but since they are amorphous they lack the spatial order of the solid. Their dynamical properties change remarkably over a very small temperature range. At high temperatures, near their melting temperature, liquids flow easily under shear. However, only a few hundred degrees lower flow effectively ceases, as the liquid transforms into a solid-like glass. This temperature-dependent dynamical behavior is frequently characterized by the concept of kinetic fragility (or, generally, simply fragility). Fragility is believed to be an important quantity in glass formation, making it of significant practical interest. The microscopic origin of fragility remains unclear, however, making it also of fundamental interest. It is widely (although not uniformly) believed that the dynamical behavior is linked to the atomic structure of the liquid, yet experimental studies show that although the viscosity changes by orders of magnitude with temperature, the structural change is barely perceptible. In this article the concept of fragility is discussed, building to a discussion of recent results in metallic glass-forming liquids that demonstrate the presumed connection between structural and dynamical changes. In particular, it becomes possible to define a structural fragility parameter that can be linked with the kinetic fragility. (topical review)

  15. Physical masking process for integrating micro metallic structures on polymer substrate

    DEFF Research Database (Denmark)

    Islam, Mohammad Aminul; Hansen, Hans Nørgaard

    2009-01-01

    plasmon devices need micro metallic structures on a polymer substrate with an uniform metal layer thickness in the nanometer range. A well known fabrication process to achieve such metallic surface pattern on polymer substrate is photolithography which involves an expensive mask and toxic chemicals......Integration of micro metallic structures in polymer devices is a broad multi-disciplinary research field, consisting of various combinations of mechanical, chemical and physical fabrication methods. Each of the methods has its specific advantages and disadvantages. Some applications like surface....... The current study shows a novel approach for fabricating thin micro metallic structures on polymer substrates using a simple physical mask and a PVD equipment. The new process involves fewer process steps, it is cost effective and suitable for high volume industrial production. Current study suggests...

  16. Determination of pollutant elements and heavy metals in petroleum sludge and scale at Heglig field Sudan

    International Nuclear Information System (INIS)

    Amir, N. T.

    2012-02-01

    The release of pollutant metals from petroleum industry in to ecosystems represents a serious hazard for the biosphere, because of their toxicity. The objective of this study was to determine the levels of some elements in petroleum sludge and scales collected from petroleum production area in Heglig oil field located in South Kordofan State. The concentration of Ca, Fe, V, Mn,Ni, Cu, Zn, Cs, Sr, Zr, Y and Pb in sludge and scale samples have been determined using energy dispersive x-ray fluorescence (EDXRF) equipped with a point source of 1 09C d. The concentration of Ca and Fe in scale samples were found to fall in range of 15,49-23.28% and 0.98-5.13%, respectively. The a verge elemental concentrations of Ti, Mn, Ni, Cu, Zn, Sr,Y, and Pb in scale samples were 2917.8, 567.74, 23.21, 23.05, 101.67, 31.38, 177.06 and 24.12 (mg/kg), respectively. The concentrations of Ca and Fe in sludge samples ranged from 1.98-8.82% and 0.71-5.19%, respectively and the a verge elemental concentrations of Cs, V, Mn,Cu, Zn, Pb, Sr, Y and Zr were 7.44, 92,59, 557.36, 7.67, 162.72,28.67, 65.02, 45.64 and 52.15 (mg/kg), respectively. Correlation analysis revealed lock of any significant correlation between elemental concentrations in sludge and scales. (Author)

  17. The cavitation erosion of ultrasonic sonotrode during large-scale metallic casting: Experiment and simulation.

    Science.gov (United States)

    Tian, Yang; Liu, Zhilin; Li, Xiaoqian; Zhang, Lihua; Li, Ruiqing; Jiang, Ripeng; Dong, Fang

    2018-05-01

    Ultrasonic sonotrodes play an essential role in transmitting power ultrasound into the large-scale metallic casting. However, cavitation erosion considerably impairs the in-service performance of ultrasonic sonotrodes, leading to marginal microstructural refinement. In this work, the cavitation erosion behaviour of ultrasonic sonotrodes in large-scale castings was explored using the industry-level experiments of Al alloy cylindrical ingots (i.e. 630 mm in diameter and 6000 mm in length). When introducing power ultrasound, severe cavitation erosion was found to reproducibly occur at some specific positions on ultrasonic sonotrodes. However, there is no cavitation erosion present on the ultrasonic sonotrodes that were not driven by electric generator. Vibratory examination showed cavitation erosion depended on the vibration state of ultrasonic sonotrodes. Moreover, a finite element (FE) model was developed to simulate the evolution and distribution of acoustic pressure in 3-D solidification volume. FE simulation results confirmed that significant dynamic interaction between sonotrodes and melts only happened at some specific positions corresponding to severe cavitation erosion. This work will allow for developing more advanced ultrasonic sonotrodes with better cavitation erosion-resistance, in particular for large-scale castings, from the perspectives of ultrasonic physics and mechanical design. Copyright © 2018 Elsevier B.V. All rights reserved.

  18. Theoretical calculations of hardness and metallicity for multibond hexagonal 5d transition metal diborides with ReB2 structure

    International Nuclear Information System (INIS)

    Yang Jun; Gao Fa-Ming; Liu Yong-Shan

    2017-01-01

    The hardness, electronic, and elastic properties of 5d transition metal diborides with ReB 2 structure are studied theoretically by using the first principles calculations. The calculated results are in good agreement with the previous experimental and theoretical results. Empirical formulas for estimating the hardness and partial number of effective free electrons for each bond in multibond compounds with metallicity are presented. Based on the formulas, IrB 2 has the largest hardness of 21.8 GPa, followed by OsB 2 (21.0 GPa) and ReB 2 (19.7 GPa), indicating that they are good candidates as hard materials. (paper)

  19. Reconstructing Information in Large-Scale Structure via Logarithmic Mapping

    Science.gov (United States)

    Szapudi, Istvan

    We propose to develop a new method to extract information from large-scale structure data combining two-point statistics and non-linear transformations; before, this information was available only with substantially more complex higher-order statistical methods. Initially, most of the cosmological information in large-scale structure lies in two-point statistics. With non- linear evolution, some of that useful information leaks into higher-order statistics. The PI and group has shown in a series of theoretical investigations how that leakage occurs, and explained the Fisher information plateau at smaller scales. This plateau means that even as more modes are added to the measurement of the power spectrum, the total cumulative information (loosely speaking the inverse errorbar) is not increasing. Recently we have shown in Neyrinck et al. (2009, 2010) that a logarithmic (and a related Gaussianization or Box-Cox) transformation on the non-linear Dark Matter or galaxy field reconstructs a surprisingly large fraction of this missing Fisher information of the initial conditions. This was predicted by the earlier wave mechanical formulation of gravitational dynamics by Szapudi & Kaiser (2003). The present proposal is focused on working out the theoretical underpinning of the method to a point that it can be used in practice to analyze data. In particular, one needs to deal with the usual real-life issues of galaxy surveys, such as complex geometry, discrete sam- pling (Poisson or sub-Poisson noise), bias (linear, or non-linear, deterministic, or stochastic), redshift distortions, pro jection effects for 2D samples, and the effects of photometric redshift errors. We will develop methods for weak lensing and Sunyaev-Zeldovich power spectra as well, the latter specifically targetting Planck. In addition, we plan to investigate the question of residual higher- order information after the non-linear mapping, and possible applications for cosmology. Our aim will be to work out

  20. Alignment between galaxies and large-scale structure

    International Nuclear Information System (INIS)

    Faltenbacher, A.; Li Cheng; White, Simon D. M.; Jing, Yi-Peng; Mao Shude; Wang Jie

    2009-01-01

    Based on the Sloan Digital Sky Survey DR6 (SDSS) and the Millennium Simulation (MS), we investigate the alignment between galaxies and large-scale structure. For this purpose, we develop two new statistical tools, namely the alignment correlation function and the cos(2θ)-statistic. The former is a two-dimensional extension of the traditional two-point correlation function and the latter is related to the ellipticity correlation function used for cosmic shear measurements. Both are based on the cross correlation between a sample of galaxies with orientations and a reference sample which represents the large-scale structure. We apply the new statistics to the SDSS galaxy catalog. The alignment correlation function reveals an overabundance of reference galaxies along the major axes of red, luminous (L ∼ * ) galaxies out to projected separations of 60 h- 1 Mpc. The signal increases with central galaxy luminosity. No alignment signal is detected for blue galaxies. The cos(2θ)-statistic yields very similar results. Starting from a MS semi-analytic galaxy catalog, we assign an orientation to each red, luminous and central galaxy, based on that of the central region of the host halo (with size similar to that of the stellar galaxy). As an alternative, we use the orientation of the host halo itself. We find a mean projected misalignment between a halo and its central region of ∼ 25 deg. The misalignment decreases slightly with increasing luminosity of the central galaxy. Using the orientations and luminosities of the semi-analytic galaxies, we repeat our alignment analysis on mock surveys of the MS. Agreement with the SDSS results is good if the central orientations are used. Predictions using the halo orientations as proxies for central galaxy orientations overestimate the observed alignment by more than a factor of 2. Finally, the large volume of the MS allows us to generate a two-dimensional map of the alignment correlation function, which shows the reference

  1. Using ensemble models to identify and apportion heavy metal pollution sources in agricultural soils on a local scale

    International Nuclear Information System (INIS)

    Wang, Qi; Xie, Zhiyi; Li, Fangbai

    2015-01-01

    This study aims to identify and apportion multi-source and multi-phase heavy metal pollution from natural and anthropogenic inputs using ensemble models that include stochastic gradient boosting (SGB) and random forest (RF) in agricultural soils on the local scale. The heavy metal pollution sources were quantitatively assessed, and the results illustrated the suitability of the ensemble models for the assessment of multi-source and multi-phase heavy metal pollution in agricultural soils on the local scale. The results of SGB and RF consistently demonstrated that anthropogenic sources contributed the most to the concentrations of Pb and Cd in agricultural soils in the study region and that SGB performed better than RF. - Highlights: • Ensemble models including stochastic gradient boosting and random forest are used. • The models were verified by cross-validation and SGB performed better than RF. • Heavy metal pollution sources on a local scale are identified and apportioned. • Models illustrate good suitability in assessing sources in local-scale agricultural soils. • Anthropogenic sources contributed most to soil Pb and Cd pollution in our case. - Multi-source and multi-phase pollution by heavy metals in agricultural soils on a local scale were identified and apportioned.

  2. Probing cosmology with the homogeneity scale of the Universe through large scale structure surveys

    International Nuclear Information System (INIS)

    Ntelis, Pierros

    2017-01-01

    . It is thus possible to reconstruct the distribution of matter in 3 dimensions in gigantic volumes. We can then extract various statistical observables to measure the BAO scale and the scale of homogeneity of the universe. Using Data Release 12 CMASS galaxy catalogs, we obtained precision on the homogeneity scale reduced by 5 times compared to Wiggle Z measurement. At large scales, the universe is remarkably well described in linear order by the ΛCDM-model, the standard model of cosmology. In general, it is not necessary to take into account the nonlinear effects which complicate the model at small scales. On the other hand, at large scales, the measurement of our observables becomes very sensitive to the systematic effects. This is particularly true for the analysis of cosmic homogeneity, which requires an observational method so as not to bias the measurement. In order to study the homogeneity principle in a model independent way, we explore a new way to infer distances using cosmic clocks and type Ia Supernovae. This establishes the Cosmological Principle using only a small number of a priori assumption, i.e. the theory of General Relativity and astrophysical assumptions that are independent from Friedmann Universes and in extend the homogeneity assumption. This manuscript is as follows. After a short presentation of the knowledge in cosmology necessary for the understanding of this manuscript, presented in Chapter 1, Chapter 2 will deal with the challenges of the Cosmological Principle as well as how to overcome those. In Chapter 3, we will discuss the technical characteristics of the large scale structure surveys, in particular focusing on BOSS and eBOSS galaxy surveys. Chapter 4 presents the detailed analysis of the measurement of cosmic homogeneity and the various systematic effects likely to impact our observables. Chapter 5 will discuss how to use the cosmic homogeneity as a standard ruler to constrain dark energy models from current and future surveys. In

  3. An Assessment of Binary Metallic Glasses: Correlations Between Structure, Glass Forming Ability and Stability (Preprint)

    Science.gov (United States)

    2011-07-01

    volume (via indentation, relaxation or positron annihilation ) are expected to significantly clarify structural descriptions. Further insights may be... applicability of the concept of smaller spheres filling the interstices of larger spheres diminishes with decreasing difference in size, the efficient...alloys observed by Mossbauer spectroscopy and calorimetry’, Rapidly Quenched Metals, Proc. 4th International Conference on Rapidly Quenched Metals

  4. Application of the model of micro inhomogeneous structure of liquid metals to calculation of their viscosity

    International Nuclear Information System (INIS)

    Gavrilin, I.V.; Ershov, G.S.

    1979-01-01

    A method was developed for calculating the dynamic viscosity coefficient of liquid metals based on the assumption of the microinhomogeneity of their structure. The functions eta=f(T) were calculated accordingly using computers both for the refractory (Fe, Ni, Co, Cu) and the readily melting (Al, An, Cd) metals. The experimental and the calculated values eta=f(T) agreed satisfactorily

  5. Predicted stability, structures, and magnetism of 3d transition metal nitrides: the M4N phases

    NARCIS (Netherlands)

    Fang, C.M.; Koster, R.S.; Li, W.F.; van Huis, M.A.

    2014-01-01

    The 3d transition metal nitrides M4N (Sc4N, Ti4N, V4N, Cr4N, Mn4N, Fe4N, Co4N, Ni4N, and Cu4N) have unique phase relationships, crystal structures, and electronic and magnetic properties. Here we present a systematic density functional theory (DFT) study on these transition metal nitrides, assessing

  6. Bipolar resistive switching in graphene oxide based metal insulator metal structure for non-volatile memory applications

    Science.gov (United States)

    Singh, Rakesh; Kumar, Ravi; Kumar, Anil; Kashyap, Rajesh; Kumar, Mukesh; Kumar, Dinesh

    2018-05-01

    Graphene oxide based devices have attracted much attention recently because of their possible application in next generation electronic devices. In this study, bipolar resistive switching characteristics of graphene oxide based metal insulator metal structure were investigated for nonvolatile memories. The graphene oxide was prepared by the conventional Hummer's method and deposited on ITO coated glass by spin-coating technique. The dominant mechanism of resistive switching is the formation and rupture of the conductive filament inside the graphene oxide. The conduction mechanism for low and high resistance states are dominated by two mechanism the ohmic conduction and space charge limited current (SCLC) mechanism, respectively. Atomic Force Microscopy, X-ray diffraction, Cyclic-Voltammetry were conducted to observe the morphology, structure and behavior of the material. The fabricated device with Al/GO/ITO structure exhibited reliable bipolar resistive switching with set & reset voltage of -2.3 V and 3V respectively.

  7. Metal Matrix Composite Enchanced Aluminum Structures, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed research pursues a path for reducing structural weight, increasing structural performance, and reducing fabrication cost while also minimizing...

  8. Metal Matrix Composite Enchanced Aluminum Structures, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed research pursues a path for reducing structural weight, increasing structural performance, and reducing fabrication cost while also minimizing...

  9. Large scale structures in liquid crystal/clay colloids

    Science.gov (United States)

    van Duijneveldt, Jeroen S.; Klein, Susanne; Leach, Edward; Pizzey, Claire; Richardson, Robert M.

    2005-04-01

    Suspensions of three different clays in K15, a thermotropic liquid crystal, have been studied by optical microscopy and small angle x-ray scattering. The three clays were claytone AF, a surface treated natural montmorillonite, laponite RD, a synthetic hectorite, and mined sepiolite. The claytone and laponite were sterically stabilized whereas sepiolite formed a relatively stable suspension in K15 without any surface treatment. Micrographs of the different suspensions revealed that all three suspensions contained large scale structures. The nature of these aggregates was investigated using small angle x-ray scattering. For the clays with sheet-like particles, claytone and laponite, the flocs contain a mixture of stacked and single platelets. The basal spacing in the stacks was independent of particle concentration in the suspension and the phase of the solvent. The number of platelets in the stack and their percentage in the suspension varied with concentration and the aspect ratio of the platelets. The lath shaped sepiolite did not show any tendency to organize into ordered structures. Here the aggregates are networks of randomly oriented single rods.

  10. Large scale structures in liquid crystal/clay colloids

    International Nuclear Information System (INIS)

    Duijneveldt, Jeroen S van; Klein, Susanne; Leach, Edward; Pizzey, Claire; Richardson, Robert M

    2005-01-01

    Suspensions of three different clays in K15, a thermotropic liquid crystal, have been studied by optical microscopy and small angle x-ray scattering. The three clays were claytone AF, a surface treated natural montmorillonite, laponite RD, a synthetic hectorite, and mined sepiolite. The claytone and laponite were sterically stabilized whereas sepiolite formed a relatively stable suspension in K15 without any surface treatment. Micrographs of the different suspensions revealed that all three suspensions contained large scale structures. The nature of these aggregates was investigated using small angle x-ray scattering. For the clays with sheet-like particles, claytone and laponite, the flocs contain a mixture of stacked and single platelets. The basal spacing in the stacks was independent of particle concentration in the suspension and the phase of the solvent. The number of platelets in the stack and their percentage in the suspension varied with concentration and the aspect ratio of the platelets. The lath shaped sepiolite did not show any tendency to organize into ordered structures. Here the aggregates are networks of randomly oriented single rods

  11. Scale-adaptive surface modeling of vascular structures

    Directory of Open Access Journals (Sweden)

    Ma Xin

    2010-11-01

    Full Text Available Abstract Background The effective geometric modeling of vascular structures is crucial for diagnosis, therapy planning and medical education. These applications require good balance with respect to surface smoothness, surface accuracy, triangle quality and surface size. Methods Our method first extracts the vascular boundary voxels from the segmentation result, and utilizes these voxels to build a three-dimensional (3D point cloud whose normal vectors are estimated via covariance analysis. Then a 3D implicit indicator function is computed from the oriented 3D point cloud by solving a Poisson equation. Finally the vessel surface is generated by a proposed adaptive polygonization algorithm for explicit 3D visualization. Results Experiments carried out on several typical vascular structures demonstrate that the presented method yields both a smooth morphologically correct and a topologically preserved two-manifold surface, which is scale-adaptive to the local curvature of the surface. Furthermore, the presented method produces fewer and better-shaped triangles with satisfactory surface quality and accuracy. Conclusions Compared to other state-of-the-art approaches, our method reaches good balance in terms of smoothness, accuracy, triangle quality and surface size. The vessel surfaces produced by our method are suitable for applications such as computational fluid dynamics simulations and real-time virtual interventional surgery.

  12. Small-Scale Fabrication of Biomimetic Structures for Periodontal Regeneration

    Science.gov (United States)

    Green, David W.; Lee, Jung-Seok; Jung, Han-Sung

    2016-01-01

    The periodontium is the supporting tissues for the tooth organ and is vulnerable to destruction, arising from overpopulating pathogenic bacteria and spirochaetes. The presence of microbes together with host responses can destroy large parts of the periodontium sometimes leading tooth loss. Permanent tissue replacements are made possible with tissue engineering techniques. However, existing periodontal biomaterials cannot promote proper tissue architectures, necessary tissue volumes within the periodontal pocket and a “water-tight” barrier, to become clinically acceptable. New kinds of small-scale engineered biomaterials, with increasing biological complexity are needed to guide proper biomimetic regeneration of periodontal tissues. So the ability to make compound structures with small modules, filled with tissue components, is a promising design strategy for simulating the anatomical complexity of the periodotium attachment complexes along the tooth root and the abutment with the tooth collar. Anatomical structures such as, intima, adventitia, and special compartments such as the epithelial cell rests of Malassez or a stellate reticulum niche need to be engineered from the start of regeneration to produce proper periodontium replacement. It is our contention that the positioning of tissue components at the origin is also necessary to promote self-organizing cell–cell connections, cell–matrix connections. This leads to accelerated, synchronized and well-formed tissue architectures and anatomies. This strategy is a highly effective preparation for tackling periodontitis, periodontium tissue resorption, and to ultimately prevent tooth loss. Furthermore, such biomimetic tissue replacements will tackle problems associated with dental implant support and perimimplantitis. PMID:26903872

  13. Small-Scale Fabrication of Biomimetic Structures for Periodontal Regeneration

    Directory of Open Access Journals (Sweden)

    David William Green

    2016-02-01

    Full Text Available The periodontium is the supporting tissues for the tooth organ and is vulnerable to destruction, arising from overpopulating pathogenic bacteria and spirochaetes. The presence of microbes together with host responses can destroy large parts of the periodontium sometimes leading tooth loss. Permanent tissue replacements are made possible with tissue engineering techniques. However, existing periodontal biomaterials cannot promote proper tissue architectures, necessary tissue volumes within the periodontal pocket and a water-tight barrier, to become clinically acceptable. New kinds of small-scale engineered biomaterials, with increasing biological complexity are needed to guide proper biomimetic regeneration of periodontal tissues. So the ability to make compound structures with small modules, filled with tissue components, is a promising design strategy for simulating the anatomical complexity of the periodotium attachement complexes along the tooth root and the abutment with the tooth collar. Anatomical structures such as, intima, adventitia and special compartments such as the epithelial cell rests of Malassez or a stellate reticulum niche need to be engineered from the start of regeneration to produce proper periodontium replacement.. It is our contention that the positioning of tissue components at the origin is also necessary to promote self-organising cell-cell connections, cell-matrix connections. This leads to accelerated, synchronized and well-formed tissue architectures and anatomies. This strategy is a highly effective preparation for tackling periodontitis, periodontium tissue resorption and to ultimately prevent tooth loss. Furthermore, such biomimetic tissue replacements will tackle problems associated with dental implant support and perimimplantitis.

  14. Apoprotein Structure and Metal Binding Characterization of a de Novo Designed Peptide, α3DIV, that Sequesters Toxic Heavy Metals.

    Science.gov (United States)

    Plegaria, Jefferson S; Dzul, Stephen P; Zuiderweg, Erik R P; Stemmler, Timothy L; Pecoraro, Vincent L

    2015-05-12

    De novo protein design is a biologically relevant approach that provides a novel process in elucidating protein folding and modeling the metal centers of metalloproteins in a completely unrelated or simplified fold. An integral step in de novo protein design is the establishment of a well-folded scaffold with one conformation, which is a fundamental characteristic of many native proteins. Here, we report the NMR solution structure of apo α3DIV at pH 7.0, a de novo designed three-helix bundle peptide containing a triscysteine motif (Cys18, Cys28, and Cys67) that binds toxic heavy metals. The structure comprises 1067 NOE restraints derived from multinuclear multidimensional NOESY, as well as 138 dihedral angles (ψ, φ, and χ1). The backbone and heavy atoms of the 20 lowest energy structures have a root mean square deviation from the mean structure of 0.79 (0.16) Å and 1.31 (0.15) Å, respectively. When compared to the parent structure α3D, the substitution of Leu residues to Cys enhanced the α-helical content of α3DIV while maintaining the same overall topology and fold. In addition, solution studies on the metalated species illustrated metal-induced stability. An increase in the melting temperatures was observed for Hg(II), Pb(II), or Cd(II) bound α3DIV by 18-24 °C compared to its apo counterpart. Further, the extended X-ray absorption fine structure analysis on Hg(II)-α3DIV produced an average Hg(II)-S bond length at 2.36 Å, indicating a trigonal T-shaped coordination environment. Overall, the structure of apo α3DIV reveals an asymmetric distorted triscysteine metal binding site, which offers a model for native metalloregulatory proteins with thiol-rich ligands that function in regulating toxic heavy metals, such as ArsR, CadC, MerR, and PbrR.

  15. A novel nonlinear nano-scale wear law for metallic brake pads.

    Science.gov (United States)

    Patil, Sandeep P; Chilakamarri, Sri Harsha; Markert, Bernd

    2018-05-03

    In the present work, molecular dynamics simulations were carried out to investigate the temperature distribution as well as the fundamental friction characteristics such as the coefficient of friction and wear in a disc-pad braking system. A wide range of constant velocity loadings was applied on metallic brake pads made of aluminium, copper and iron with different rotating speeds of a diamond-like carbon brake disc. The average temperature of Newtonian atoms and the coefficient of friction of the brake pad were investigated. The resulting relationship of the average temperature with the speed of the disc as well as the applied loading velocity can be described by power laws. The quantitative description of the volume lost from the brake pads was investigated, and it was found that the volume lost increases linearly with the sliding distance. Our results show that Archard's linear wear law is not applicable to a wide range of normal loads, e.g., in cases of low normal load where the wear rate was increased considerably and in cases of high load where there was a possibility of severe wear. In this work, a new formula for the brake pad wear in a disc brake assembly is proposed, which displays a power law relationship between the lost volume of the metallic brake pads per unit sliding distance and the applied normal load with an exponent of 0.62 ± 0.02. This work provides new insights into the fundamental understanding of the wear mechanism at the nano-scale leading to a new bottom-up wear law for metallic brake pads.

  16. Investigation on three new metal carboxydiphosphonates: Syntheses, structures, magnetic and luminescent properties

    Energy Technology Data Exchange (ETDEWEB)

    Tang Sifu; Pan Xiaobo; Lv Xiaoxia [Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); Zhao Xuebo, E-mail: zhaoxb@qibebt.ac.cn [Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China)

    2013-01-15

    A new multifunctionalized phosphoric acid, (2-(diphosphonomethylamino)nicotinic acid, Py(COOH)(NHCH--(PO{sub 3}H{sub 2}){sub 2}), H{sub 5}L{sup 1}), has been employed as ligand for the construction of new metal phosphonates. By reacting it with different metal chlorides under hydrothermal condition, three new transition metal phosphonates, namely, [Co{sub 2}(HL{sup 1})(H{sub 2}O){sub 5}][H{sub 2}O]{sub 3} (1), Zn(H{sub 3}L{sup 1}) (2) and [Cd(H{sub 3}L{sup 1})(H{sub 2}O){sub 2}][H{sub 2}O] (3) were successfully obtained. The single-crystal structure measurements indicated that the coordination mode of ligand H{sub 5}L{sup 1} is metal-dependant and results in different structures. For compound 1, it features 2D layered structure. Whereas compounds 2 and 3 have 1D chain structures. Under the excitation of 250 nm light, both compounds 2 and 3 show intraligand and ligand to metal charge transfer (LMCT) emission bands at about 415 and 420 nm, respectively. Magnetic study shows that compound 1 displays antiferromagnetic behavior. - Graphical abstract: Three new metal phosphonates were synthesized from a multifunctionalized phosphonate ligand and different metal chlorides. Their structures, thermal stabilities, luminescent and magnetic properties were characterized. Highlights: Black-Right-Pointing-Pointer Three new metal phosphonates were synthesized under hydrothermal conditions. Black-Right-Pointing-Pointer Compound 1 exhibits 2D layered structure. Black-Right-Pointing-Pointer Compounds 2 and 3 have 1D infinite chain structures. Black-Right-Pointing-Pointer Compound 1 displays antiferromagnetic behavior. Black-Right-Pointing-Pointer Compounds 2 and 3 show intraligand and ligand to metal charge transfer emission bands.

  17. High frequency measurements of shot noise suppression in atomic-scale metal contacts

    Science.gov (United States)

    Wheeler, Patrick J.; Evans, Kenneth; Russom, Jeffrey; King, Nicholas; Natelson, Douglas

    2009-03-01

    Shot noise provides a means of assessing the number and transmission coefficients of transmitting channels in atomic- and molecular-scale junctions. Previous experiments at low temperatures in metal and semiconductor point contacts have demonstrated the expected suppression of shot noise when junction conductance is near an integer multiple of the conductance quantum, G0≡2e^2/h. Using high frequency techniques, we demonstrate the high speed acquisition of such data at room temperature in mechanical break junctions. In clean Au contacts conductance histograms with clear peaks at G0, 2G0, and 3G0 are acquired within hours, and histograms of simultaneous measurements of the shot noise show clear suppression at those conductance values. We describe the dependence of the noise on bias voltage and analyze the noise vs. conductance histograms in terms of a model that averages over transmission coefficients.

  18. The linearly scaling 3D fragment method for large scale electronic structure calculations

    Energy Technology Data Exchange (ETDEWEB)

    Zhao Zhengji [National Energy Research Scientific Computing Center (NERSC) (United States); Meza, Juan; Shan Hongzhang; Strohmaier, Erich; Bailey, David; Wang Linwang [Computational Research Division, Lawrence Berkeley National Laboratory (United States); Lee, Byounghak, E-mail: ZZhao@lbl.go [Physics Department, Texas State University (United States)

    2009-07-01

    The linearly scaling three-dimensional fragment (LS3DF) method is an O(N) ab initio electronic structure method for large-scale nano material simulations. It is a divide-and-conquer approach with a novel patching scheme that effectively cancels out the artificial boundary effects, which exist in all divide-and-conquer schemes. This method has made ab initio simulations of thousand-atom nanosystems feasible in a couple of hours, while retaining essentially the same accuracy as the direct calculation methods. The LS3DF method won the 2008 ACM Gordon Bell Prize for algorithm innovation. Our code has reached 442 Tflop/s running on 147,456 processors on the Cray XT5 (Jaguar) at OLCF, and has been run on 163,840 processors on the Blue Gene/P (Intrepid) at ALCF, and has been applied to a system containing 36,000 atoms. In this paper, we will present the recent parallel performance results of this code, and will apply the method to asymmetric CdSe/CdS core/shell nanorods, which have potential applications in electronic devices and solar cells.

  19. Synthetically chemical-electrical mechanism for controlling large scale reversible deformation of liquid metal objects

    Science.gov (United States)

    Zhang, Jie; Sheng, Lei; Liu, Jing

    2014-11-01

    Reversible deformation of a machine holds enormous promise across many scientific areas ranging from mechanical engineering to applied physics. So far, such capabilities are still hard to achieve through conventional rigid materials or depending mainly on elastomeric materials, which however own rather limited performances and require complicated manipulations. Here, we show a basic strategy which is fundamentally different from the existing ones to realize large scale reversible deformation through controlling the working materials via the synthetically chemical-electrical mechanism (SCHEME). Such activity incorporates an object of liquid metal gallium whose surface area could spread up to five times of its original size and vice versa under low energy consumption. Particularly, the alterable surface tension based on combination of chemical dissolution and electrochemical oxidation is ascribed to the reversible shape transformation, which works much more flexible than many former deformation principles through converting electrical energy into mechanical movement. A series of very unusual phenomena regarding the reversible configurational shifts are disclosed with dominant factors clarified. This study opens a generalized way to combine the liquid metal serving as shape-variable element with the SCHEME to compose functional soft machines, which implies huge potential for developing future smart robots to fulfill various complicated tasks.

  20. FULL-SCALE TREATMENT WETLANDS FOR METAL REMOVAL FROM INDUSTRIAL WASTEWATER

    International Nuclear Information System (INIS)

    Nelson, E; John Gladden, J

    2007-01-01

    The A-01 NPDES outfall at the Savannah River Site receives process wastewater discharges and stormwater runoff from the Savannah River National Laboratory. Routine monitoring indicated that copper concentrations were regularly higher than discharge permit limit, and water routinely failed toxicity tests. These conditions necessitated treatment of nearly one million gallons of water per day plus storm runoff. Washington Savannah River Company personnel explored options to bring process and runoff waters into compliance with the permit conditions, including source reduction, engineering solutions, and biological solutions. A conceptual design for a constructed wetland treatment system (WTS) was developed and the full-scale system was constructed and began operation in 2000. The overall objective of our research is to better understand the mechanisms of operation of the A-01 WTS in order to provide better input to design of future systems. The system is a vegetated surface flow wetland with a hydraulic retention time of approximately 48 hours. Copper, mercury, and lead removal efficiencies are very high, all in excess of 80% removal from water passing through the wetland system. Zinc removal is 60%, and nickel is generally unaffected. Dissolved organic carbon in the water column is increased by the system and reduces toxicity of the effluent. Concentrations of metals in the A-01 WTS sediments generally decrease with depth and along the flow path through the wetland. Sequential extraction results indicate that most metals are tightly bound to wetland sediments

  1. FULL-SCALE TREATMENT WETLANDS FOR METAL REMOVAL FROM INDUSTRIAL WASTEWATER

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, E; John Gladden, J

    2007-03-22

    The A-01 NPDES outfall at the Savannah River Site receives process wastewater discharges and stormwater runoff from the Savannah River National Laboratory. Routine monitoring indicated that copper concentrations were regularly higher than discharge permit limit, and water routinely failed toxicity tests. These conditions necessitated treatment of nearly one million gallons of water per day plus storm runoff. Washington Savannah River Company personnel explored options to bring process and runoff waters into compliance with the permit conditions, including source reduction, engineering solutions, and biological solutions. A conceptual design for a constructed wetland treatment system (WTS) was developed and the full-scale system was constructed and began operation in 2000. The overall objective of our research is to better understand the mechanisms of operation of the A-01 WTS in order to provide better input to design of future systems. The system is a vegetated surface flow wetland with a hydraulic retention time of approximately 48 hours. Copper, mercury, and lead removal efficiencies are very high, all in excess of 80% removal from water passing through the wetland system. Zinc removal is 60%, and nickel is generally unaffected. Dissolved organic carbon in the water column is increased by the system and reduces toxicity of the effluent. Concentrations of metals in the A-01 WTS sediments generally decrease with depth and along the flow path through the wetland. Sequential extraction results indicate that most metals are tightly bound to wetland sediments.

  2. Oxidation resistant filler metals for direct brazing of structural ceramics

    Science.gov (United States)

    Moorhead, Arthur J.

    1986-01-01

    A method of joining ceramics and metals to themselves and to one another is described using essentially pure trinickel aluminide and trinickel aluminide containing small amounts of carbon. This method produces strong joints that can withstand high service temperatures and oxidizing environments.

  3. Positron studies of metal-oxide-semiconductor structures

    Science.gov (United States)

    Au, H. L.; Asoka-Kumar, P.; Nielsen, B.; Lynn, K. G.

    1993-03-01

    Positron annihilation spectroscopy provides a new probe to study the properties of interface traps in metal-oxide semiconductors (MOS). Using positrons, we have examined the behavior of the interface traps as a function of gate bias. We propose a simple model to explain the positron annihilation spectra from the interface region of a MOS capacitor.

  4. Electronic structure of metallic alloys through Auger and photoemission spectroscopy

    International Nuclear Information System (INIS)

    Kleiman, G.G.; Rogers, J.D.; Sundaram, V.S.

    1981-01-01

    A review is presented of experimental results of electron spectroscopy studies for various series of transition metal alloys as well as a model for their interpretation which leads to the possibility for the first time to determine independently relative variations in the dipole barrier and Fermi energy contributions to the work function. (L.C.) [pt

  5. Structural variations in layered alkaline earth metal cyclohexyl ...

    Indian Academy of Sciences (India)

    Administrator

    because of the entrance of the guest molecules between the layers, there will be a change in the interlayer distance (Alberti 1978). Although M(IV) organo-phos- phonates are well documented, the chemistry of M(II) organophosphonates especially the alkaline earth metal organophosphonates has been explored marginally ...

  6. Competitive adsorption of dyes and heavy metals on zeolitic structures.

    Science.gov (United States)

    Hernández-Montoya, V; Pérez-Cruz, M A; Mendoza-Castillo, D I; Moreno-Virgen, M R; Bonilla-Petriciolet, A

    2013-02-15

    The adsorption of Acid blue 25, basic blue 9, basic violet 3, Pb(2+), Ni(2+), Zn(2+) and Cd(2+) ions has been studied in single and dye-metal binary solutions using two mineral materials: Clinoptilolite (CL) and ER (Erionite). These zeolites were characterized by FT-IR spectroscopy; potentiometric titration and nitrogen adsorption isotherms at 77 K to obtain their textural parameters. Results indicated that ER has an acidic character and a high specific surface (401 m(2) g(-1)) in contrast with the zeolite CL (21 m(2) g(-1)). Surprisingly, the removal of dyes was very similar for the two zeolites and they showed a considerable selectivity by the basic dyes in comparison with the acid dyes. In the case of heavy metals, ER was more effective in the adsorption process showing a selectivity of: Pb(2+) > Ni(2+) > Zn(2+) > Cd(2+). In the multicomponent adsorption experiments an antagonistic effect was observed in the removal of basic dyes and heavy metals. Particularly, the adsorbed amount of basic violet 3 decreased more significantly when the heavy metals are presents in contrast with the basic blue 9. Copyright © 2012 Elsevier Ltd. All rights reserved.

  7. Length scale-dependent structural relaxation in Zr{sub 57.5}Ti{sub 7.5}Nb{sub 5}Cu{sub 12.5}Ni{sub 10}Al{sub 7.5} metallic glass

    Energy Technology Data Exchange (ETDEWEB)

    Scudino, S., E-mail: s.scudino@ifw-dresden.de [IFW Dresden, Institut für Komplexe Materialien, Helmholtzstraße 20, D-01069 Dresden (Germany); Stoica, M. [IFW Dresden, Institut für Komplexe Materialien, Helmholtzstraße 20, D-01069 Dresden (Germany); Kaban, I. [IFW Dresden, Institut für Komplexe Materialien, Helmholtzstraße 20, D-01069 Dresden (Germany); TU Dresden, Institut für Werkstoffwissenschaft, D-01062 Dresden (Germany); Prashanth, K.G. [IFW Dresden, Institut für Komplexe Materialien, Helmholtzstraße 20, D-01069 Dresden (Germany); Vaughan, G.B.M. [European Synchrotron Radiation Facilities ESRF, BP 220, 38043 Grenoble (France); Eckert, J. [IFW Dresden, Institut für Komplexe Materialien, Helmholtzstraße 20, D-01069 Dresden (Germany); TU Dresden, Institut für Werkstoffwissenschaft, D-01062 Dresden (Germany)

    2015-08-05

    Highlights: • Structural relaxation of metallic glasses studied by high-energy X-ray diffraction. • Free volume is not uniformly distributed across the atoms. • Annihilation of free volume (i.e. shrinking) during heating is observed in the MRO. • Increase of free volume (i.e. expansion) during heating occurs in the SRO. • First diffraction maximum in reciprocal space describes structural changes in MRO. - Abstract: Structural relaxation in ball-milled Zr{sub 57.5}Ti{sub 7.5}Nb{sub 5}Cu{sub 12.5}Ni{sub 10}Al{sub 7.5} glassy powders has been investigated by in-situ high-energy X-ray diffraction. The studies in reciprocal and real space reveal a contrasting behavior between medium- (MRO) and short-range order (SRO). The free volume is not uniformly distributed across the atoms: annihilation of free volume (i.e. shrinking) during heating is observed in the MRO, whereas an increase of free volume (i.e. expansion) occurs in the SRO, implying a denser SRO in the as-milled powder compared to the structurally relaxed material. This behavior is in agreement with the concepts of free volume and anti-free volume and can be attributed to the change of the coordination number in the first nearest-neighbor shell. Finally, the results demonstrate that the first diffuse diffraction maximum in reciprocal space is a reliable indicator to evaluate the structural changes occurring in the MRO.

  8. Technical Meeting on Liquid Metal Reactor Concepts: Core Design and Structural Materials. Presentations

    International Nuclear Information System (INIS)

    2013-01-01

    The objective of the Technical Meeting is to present and discuss innovative liquid metal fast reactor (LMFR) core designs with special focus on the choice, development, testing and qualification of advanced reactor core structural materials

  9. Reliability Analysis-Based Numerical Calculation of Metal Structure of Bridge Crane

    Directory of Open Access Journals (Sweden)

    Wenjun Meng

    2013-01-01

    Full Text Available The study introduced a finite element model of DQ75t-28m bridge crane metal structure and made finite element static analysis to obtain the stress response of the dangerous point of metal structure in the most extreme condition. The simulated samples of the random variable and the stress of the dangerous point were successfully obtained through the orthogonal design. Then, we utilized BP neural network nonlinear mapping function trains to get the explicit expression of stress in response to the random variable. Combined with random perturbation theory and first-order second-moment (FOSM method, the study analyzed the reliability and its sensitivity of metal structure. In conclusion, we established a novel method for accurately quantitative analysis and design of bridge crane metal structure.

  10. Automated Design and Analysis Tool for CLV/CEV Composite and Metallic Structural Components, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — The innovation of the proposed effort is a unique automated process for the analysis, design, and sizing of CLV/CEV composite and metallic structures. This developed...

  11. Electronic structures and magnetic/optical properties of metal phthalocyanine complexes

    Energy Technology Data Exchange (ETDEWEB)

    Baba, Shintaro; Suzuki, Atsushi, E-mail: suzuki@mat.usp.ac.jp; Oku, Takeo [Department of Materials Science, The University of Shiga Prefecture. 2500 Hassaka, Hikone, Shiga 522-8533 (Japan)

    2016-02-01

    Electronic structures and magnetic / optical properties of metal phthalocyanine complexes were studied by quantum calculations using density functional theory. Effects of central metal and expansion of π orbital on aromatic ring as conjugation system on the electronic structures, magnetic, optical properties and vibration modes of infrared and Raman spectra of metal phthalocyanines were investigated. Electron and charge density distribution and energy levels near frontier orbital and excited states were influenced by the deformed structures varied with central metal and charge. The magnetic parameters of chemical shifts in {sup 13}C-nuclear magnetic resonance ({sup 13}C-NMR), principle g-tensor, A-tensor, V-tensor of electric field gradient and asymmetry parameters derived from the deformed structures with magnetic interaction of nuclear quadruple interaction based on electron and charge density distribution with a bias of charge near ligand under crystal field.

  12. The dynamic properties of sandwich structures based on metal-ceramic foams.

    Science.gov (United States)

    2014-01-01

    The present research program has studied the fracture properties of closed pore metal-ceramic foams for their potential applications as core systems in sandwich structures. The composite foams were created at Fireline, Inc. (Youngstown, OH) using the...

  13. Multiple-scale structures: from Faraday waves to soft-matter quasicrystals

    Directory of Open Access Journals (Sweden)

    Samuel Savitz

    2018-05-01

    Full Text Available For many years, quasicrystals were observed only as solid-state metallic alloys, yet current research is now actively exploring their formation in a variety of soft materials, including systems of macromolecules, nanoparticles and colloids. Much effort is being invested in understanding the thermodynamic properties of these soft-matter quasicrystals in order to predict and possibly control the structures that form, and hopefully to shed light on the broader yet unresolved general questions of quasicrystal formation and stability. Moreover, the ability to control the self-assembly of soft quasicrystals may contribute to the development of novel photonics or other applications based on self-assembled metamaterials. Here a path is followed, leading to quantitative stability predictions, that starts with a model developed two decades ago to treat the formation of multiple-scale quasiperiodic Faraday waves (standing wave patterns in vibrating fluid surfaces and which was later mapped onto systems of soft particles, interacting via multiple-scale pair potentials. The article reviews, and substantially expands, the quantitative predictions of these models, while correcting a few discrepancies in earlier calculations, and presents new analytical methods for treating the models. In so doing, a number of new stable quasicrystalline structures are found with octagonal, octadecagonal and higher-order symmetries, some of which may, it is hoped, be observed in future experiments.

  14. Multiple-scale structures: from Faraday waves to soft-matter quasicrystals.

    Science.gov (United States)

    Savitz, Samuel; Babadi, Mehrtash; Lifshitz, Ron

    2018-05-01

    For many years, quasicrystals were observed only as solid-state metallic alloys, yet current research is now actively exploring their formation in a variety of soft materials, including systems of macromolecules, nanoparticles and colloids. Much effort is being invested in understanding the thermodynamic properties of these soft-matter quasicrystals in order to predict and possibly control the structures that form, and hopefully to shed light on the broader yet unresolved general questions of quasicrystal formation and stability. Moreover, the ability to control the self-assembly of soft quasicrystals may contribute to the development of novel photonics or other applications based on self-assembled metamaterials. Here a path is followed, leading to quantitative stability predictions, that starts with a model developed two decades ago to treat the formation of multiple-scale quasiperiodic Faraday waves (standing wave patterns in vibrating fluid surfaces) and which was later mapped onto systems of soft particles, interacting via multiple-scale pair potentials. The article reviews, and substantially expands, the quantitative predictions of these models, while correcting a few discrepancies in earlier calculations, and presents new analytical methods for treating the models. In so doing, a number of new stable quasicrystalline structures are found with octagonal, octadecagonal and higher-order symmetries, some of which may, it is hoped, be observed in future experiments.

  15. Principles and practices of lean production applied in a metal structures production system

    OpenAIRE

    Carvalho, Rogério; Alves, Anabela Carvalho; Lopes, Isabel da Silva

    2011-01-01

    This paper presents a work undertaken in a metal structures production system in a company producing several assorted products for the civil construction. The work aim was to improve the production process, solving several productive problems encountered in the production system, such as: deliveries delays, long lead times, too many material handling, high stocks, errors and defects in metal structures assembly and production, and unnecessary motions. The identified problems were analyzed and...

  16. Multiscale models of metal behaviour and structural change under the action of high-current electron irradiation

    International Nuclear Information System (INIS)

    Mayer, A E; Krasnikov, V S; Mayer, P N; Pogorelko, V V

    2017-01-01

    We present our models of the tensile fracture of metals in the solid and molten states, the melting and the plastic deformation of the solid metals. Also we discuss implementation of these models for simulation of the high current electron beam impact on metals. The models are constructed in the following way: the atomistic simulations are used at the first stage for investigation of dynamics and kinetics of structural defects in material (voids, dislocations, melting cites); equations describing evolution of such defects are constructed, verified, and their parameters are identified by means of comparison with the atomistic simulation result; finally, the defects evolution equations are incorporated into the continuum model of the substance behaviour on the macroscopic scale. The obtained continuum models with accounting of defects subsystems are tested in comparison with the experimental results known from literature. The proposed models not only allow one to describe the metal behaviour under the conditions of intensive electron irradiation, but they also allow one to determine the structural changes in the irradiated material. (paper)

  17. Structural basis for expanding the application of bioligand in metal bioremediation: A review.

    Science.gov (United States)

    Sharma, Virbala; Pant, Deepak

    2018-03-01

    Bioligands (BL) present in plant and microbes are primarily responsible for their use in metal decontamination. Both primary (proteins and amino acid) and secondary (proliferated) response in the form of BL is possible in plants and microbes toward metal bioremediation. Structure of these BL have specific requirement for preferential binding towards a particular metal in biomass. The aim of this review is to explore various templates from BL (as metal host) for the metal detoxification/decontamination and associated bioremediation. Mechanistic explanation for bioremediation may involve the various processes like: (i) electron transfer; (ii) translocation; and (iii) coordination number variation. HSAB (hard and soft acid and base) concept can act as guiding principle for many such processes. It is possible to investigate various structural homolog of BL (similar to secondary response in living stage) for the possible improvement in bioremediation process. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Residual stress determination in oxide layers at different length scales combining Raman spectroscopy and X-ray diffraction: Application to chromia-forming metallic alloys

    Science.gov (United States)

    Guerain, Mathieu; Grosseau-Poussard, Jean-Luc; Geandier, Guillaume; Panicaud, Benoit; Tamura, Nobumichi; Kunz, Martin; Dejoie, Catherine; Micha, Jean-Sebastien; Thiaudière, Dominique; Goudeau, Philippe

    2017-11-01

    In oxidizing environments, the protection of metals and alloys against further oxidation at high temperature is provided by the oxide film itself. This protection is efficient only if the formed film adheres well to the metal (substrate), i.e., without microcracks and spalls induced by thermomechanical stresses. In this study, the residual stresses at both macroscopic and microscopic scales in the oxide film adhering to the substrate and over the damaged areas have been rigorously determined on the same samples for both techniques. Ni-30Cr and Fe-47Cr alloys have been oxidized together at 900 and 1000 °C, respectively, to create films with a thickness of a few microns. A multi-scale approach was adopted: macroscopic stress was determined by conventional X-ray diffraction and Raman spectroscopy, while microscopic residual stress mappings were performed over different types of bucklings using Raman micro-spectroscopy and synchrotron micro-diffraction. A very good agreement is found at macro- and microscales between the residual stress values obtained with both techniques, giving confidence on the reliability of the measurements. In addition, relevant structural information at the interface between the metallic substrate and the oxide layer was collected by micro-diffraction, a non-destructive technique that allows mapping through the oxide layer, and both the grain size and the crystallographic orientation of the supporting polycrystalline metal located either under a buckling or not were measured.

  19. 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.

  20. Metal concentrations in stream biofilm and sediments and their potential to explain biofilm microbial community structure

    International Nuclear Information System (INIS)

    Ancion, Pierre-Yves; Lear, Gavin; Dopheide, Andrew; Lewis, Gillian D.

    2013-01-01

    Concentrations of metals associated with sediments have traditionally been analysed to assess the extent of heavy metal contamination in freshwater environments. Stream biofilms present an alternative medium for this assessment which may be more relevant to the risk incurred by stream ecosystems as they are intensively grazed by aquatic organisms at a higher trophic level. Therefore, we investigated zinc, copper and lead concentrations in biofilms and sediments of 23 stream sites variously impacted by urbanisation. Simultaneously, biofilm bacterial and ciliate protozoan community structure was analysed by Automated Ribosomal Intergenic Spacer Analysis and Terminal Restriction Fragment Length Polymorphism, respectively. Statistical analysis revealed that biofilm associated metals explained a greater proportion of the variations observed in bacterial and ciliate communities than did sediment associated-metals. This study suggests that the analysis of metal concentrations in biofilms provide a good assessment of detrimental effects of metal contaminants on aquatic biota. - Highlights: ► Zn, Cu and Pb concentrations in biofilm and sediments from 23 streams were assessed. ► Bacteria and ciliate protozoa were simultaneously used as biological indicators. ► Zn and Cu were generally enriched in biofilm compared to sediments. ► Metals in biofilm provide a useful assessment of freshwater ecosystem contamination. ► Results highlight the likely ecological importance of biofilm associated metals. - Metal concentrations in stream biofilms provide a good assessment of the effects of trace metal contaminants on freshwater ecosystems.

  1. Particle morphology and mineral structure of heavy metal-contaminated kaolin soil before and after electrokinetic remediation.

    Science.gov (United States)

    Roach, Nicole; Reddy, Krishna R; Al-Hamdan, Ashraf Z

    2009-06-15

    This study aims to characterize the physical distribution of heavy metals in kaolin soil and the chemical and structural changes in kaolinite minerals that result from electrokinetic remediation. Three bench-scale electrokinetic experiments were conducted on kaolin that was spiked with Cr(VI) alone, Ni (II) alone, and a combination of Cr(VI), Ni(II) and Cd(II) under a constant electric potential of 1VDC/cm for a total duration of 4 days. Transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDX), and X-ray diffraction (XRD) analyses were performed on the soil samples before and after electrokinetic remediation. Results showed that the heavy metal contaminant distribution in the soil samples was not observable using TEM and EDX. EDX detected nickel and chromium on some kaolinite particles and titanium-rich, high-contrast particles, but no separate phases containing the metal contaminants were detected. Small amounts of heavy metal contaminants that were detected by EDX in the absence of a visible phase suggest that ions are adsorbed to kaolinite particle surfaces as a thin coating. There was also no clear correlation between semiquantitative analysis of EDX spectra and measured total metal concentrations, which may be attributed to low heavy metal concentrations and small size of samples used. X-ray diffraction analyses were aimed to detect any structural changes in kaolinite minerals resulting from EK. The diffraction patterns showed a decrease in peak height with decreasing soil pH value, which indicates possible dissolution of kaolinite minerals during electrokinetic remediation. Overall this study showed that the changes in particle morphology were found to be insignificant, but a relationship was found between the crystallinity of kaolin and the pH changes induced by the applied electric potential.

  2. Particle morphology and mineral structure of heavy metal-contaminated kaolin soil before and after electrokinetic remediation

    International Nuclear Information System (INIS)

    Roach, Nicole; Reddy, Krishna R.; Al-Hamdan, Ashraf Z.

    2009-01-01

    This study aims to characterize the physical distribution of heavy metals in kaolin soil and the chemical and structural changes in kaolinite minerals that result from electrokinetic remediation. Three bench-scale electrokinetic experiments were conducted on kaolin that was spiked with Cr(VI) alone, Ni (II) alone, and a combination of Cr(VI), Ni(II) and Cd(II) under a constant electric potential of 1 VDC/cm for a total duration of 4 days. Transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDX), and X-ray diffraction (XRD) analyses were performed on the soil samples before and after electrokinetic remediation. Results showed that the heavy metal contaminant distribution in the soil samples was not observable using TEM and EDX. EDX detected nickel and chromium on some kaolinite particles and titanium-rich, high-contrast particles, but no separate phases containing the metal contaminants were detected. Small amounts of heavy metal contaminants that were detected by EDX in the absence of a visible phase suggest that ions are adsorbed to kaolinite particle surfaces as a thin coating. There was also no clear correlation between semiquantitative analysis of EDX spectra and measured total metal concentrations, which may be attributed to low heavy metal concentrations and small size of samples used. X-ray diffraction analyses were aimed to detect any structural changes in kaolinite minerals resulting from EK. The diffraction patterns showed a decrease in peak height with decreasing soil pH value, which indicates possible dissolution of kaolinite minerals during electrokinetic remediation. Overall this study showed that the changes in particle morphology were found to be insignificant, but a relationship was found between the crystallinity of kaolin and the pH changes induced by the applied electric potential.

  3. Structural and functional studies of heavy metal ATPases

    DEFF Research Database (Denmark)

    Sitsel, Oleg

    2015-01-01

    to handle heavy metal ions. LpCopA is then compared to its two human homologues ATP7A and ATP7B, which cause the severe Menkes and Wilson diseases when malfunctioning. The differences between the three proteins are described and disease-causing mutations in the human proteins are analyzed. The crystal......Copper and zinc are trace elements that are crucial for the well-being of all cells and are an indispensable part of many proteins. At the same time, the intracellular levels of these metals require careful regulation, as an excess or deficiency may be lethal. P1B-ATPases are key players in Cu......+ and Zn2+ homeostasis that belong to the superfamily of P-type ATPases, transmembrane proteins which are present in virtually all lifeforms, with functions ranging from membrane potential generation to muscle relaxation. The goal of this thesis is to improve our understanding of P1B-ATPases by focusing...

  4. Liquid metal systems development: reactor vessel support structure evaluation

    International Nuclear Information System (INIS)

    McEdwards, J.A.

    1981-01-01

    Results of an evaluation of support structures for the reactor vessel are reported. The U ring, box ring, integral ring, tee ring and tangential beam supports were investigated. The U ring is the recommended vessel support structure configuration

  5. Factor Structure of the Conflict Tactics Scale 1

    Directory of Open Access Journals (Sweden)

    Kaori Baba

    2017-07-01

    Full Text Available Background: The Conflict Tactics Scale 1 (CTS1 is a widely used self-report measure of abusive attitudes of parents towards children. The factor structure of the CTS1 still remains to be clarified. The aim of this study was to examine the factor structure of the Japanese version of the CTS1 for postpartum women in community settings. Method: The data in this study came from the Okayama and Kumamoto’s study. These were part of a larger survey using longitudinal questionnaire studies conducted in Japan from 2001 to 2002 and in 2011, respectively. In both study sites, the participant mothers were asked to fill in the CTS1 one month after delivery when they attended for check-up at the out-patient clinic. Results: A total of 1,150 questionnaires were collected, excluding the participants with missing values in the CTS1. Finally, 1,078 were included in the statistical analyses. Data of 1,078 women were divided into two parts. In the first halved sample (n=578, an exploratory factor analysis was conducted for the CTS1 items after exluding nine items with extremely low prevalence. It revealed 2-factor or 3-factor models. Then, we conducted a model comparison with the second halved sample (n=500, using confirmatory factor analysis. In terms of goodness-of-fit indeces, the 2-factor model was superior. Its subscales were Reasoning and Psycholosical Aggression. Conclusion: The 2-factor model of the CTS1 consisting of Reasoning and Psychological Aggression was superior to the 3-factor model. This is not inconsistent with the original authors’ theoretical model.

  6. Fundamental structure of steady plastic shock waves in metals

    OpenAIRE

    Molinari, A.; Ravichandran, G.

    2004-01-01

    The propagation of steady plane shock waves in metallic materials is considered. Following the constitutive framework adopted by R. J. Clifton [Shock Waves and the Mechanical Properties of Solids, edited by J. J. Burke and V. Weiss (Syracuse University Press, Syracuse, N.Y., 1971), p. 73] for analyzing elastic–plastic transient waves, an analytical solution of the steady state propagation of plastic shocks is proposed. The problem is formulated in a Lagrangian setting appropriate for large de...

  7. Effect of the coupling between electronic structure and crystalline structure on some properties of transition metals

    International Nuclear Information System (INIS)

    Nastar, M.

    1994-01-01

    The elastic constants, energetic stabilities and vacancy formation energies in transition metals are calculated within a Tight Binding model. In order to outline the effect of the electronic structure, these properties are represented as functions of band filling. The variation of the shear elastic constants of hexagonal close packed (HCP), body centered cubic (BCC) and face centered cubic (FCC) structures, is in contrast with the roughly parabolic behavior of bulk modulus. The general trends are in very good agreement with available experimental and 'ab initio' data. The vacancy formation energy in the BCC structure shows strong deviations from bell shape behavior with a maximum corresponding approximately to the band filling of group 6. This band filling effect contributes to the noticeable decrease of the self diffusion rate between group 4 and group 6. We demonstrate that the abrupt increase of the C' elastic constant, the NT 1 (0.-1.1) phonon frequency, the energy differences between BCC and HCP and between FCC and HCP as well as the vacancy formation energy, that occurs when going from Zr to Mo, is related to the presence of a pseudo-gap in the density of states of the BCC structure. Using the recursion method, we show that the general trends of these properties are correctly reproduced when considering only a few moments of the density of states (about 6). On the other hand, details such as the elastic constant singularities, are displayed only with an exact calculation of the density of states. (Author). 173 refs., 84 figs., 5 tabs

  8. Gradient plasticity for thermo-mechanical processes in metals with length and time scales

    Science.gov (United States)

    Voyiadjis, George Z.; Faghihi, Danial

    2013-03-01

    A thermodynamically consistent framework is developed in order to characterize the mechanical and thermal behavior of metals in small volume and on the fast transient time. In this regard, an enhanced gradient plasticity theory is coupled with the application of a micromorphic approach to the temperature variable. A physically based yield function based on the concept of thermal activation energy and the dislocation interaction mechanisms including nonlinear hardening is taken into consideration in the derivation. The effect of the material microstructural interface between two materials is also incorporated in the formulation with both temperature and rate effects. In order to accurately address the strengthening and hardening mechanisms, the theory is developed based on the decomposition of the mechanical state variables into energetic and dissipative counterparts which endowed the constitutive equations to have both energetic and dissipative gradient length scales for the bulk material and the interface. Moreover, the microstructural interaction effect in the fast transient process is addressed by incorporating two time scales into the microscopic heat equation. The numerical example of thin film on elastic substrate or a single phase bicrystal under uniform tension is addressed here. The effects of individual counterparts of the framework on the thermal and mechanical responses are investigated. The model is also compared with experimental results.

  9. Structural studies on metal-serum albumin. 4

    International Nuclear Information System (INIS)

    Zhou Yongquia; Hu Xuying; Dou Chao; Liu Hong; Wang Sheyi; Shen Panwen

    1992-01-01

    There have been no detailed and reliable studies on the environment and configuration of Zn(II), Cd(II) and Hg(II) in the metal centers of human serum albumin and bovine serum albumin to date. In this paper the authentic evidence for the involvement of the cystinyl sulfur atoms in the ligation to the zinc group ions has been obtained from the X-ray photoelectron spectra. To belief that each of the zinc group ions possesses several binding sites in human- and bovine serum albumin and is bound to the deprotonated thiol group (-RS - ) of the cysteinyl residues to form tetrahedral and linear metal centers has been further confirmed by the treatment of ligand to metal charge transfer data with Jorgensen's method. According to these results, it was inferred that these binding sites may be located at the 17 disulfide bridges, most likely at the 7 pairs of adjacent disulfide bridges between positions 75 and 567, in the serum albumin. (author). 42 refs.; 5 figs

  10. Electrochemical and Friction Characteristics of Metallic Glass Composites at the Microstructural Length-scales.

    Science.gov (United States)

    Ayyagari, Aditya; Hasannaeimi, Vahid; Arora, Harpreet; Mukherjee, Sundeep

    2018-01-17

    Metallic glass composites represent a unique alloy design strategy comprising of in situ crystalline dendrites in an amorphous matrix to achieve damage tolerance unseen in conventional structural materials. They are promising for a range of advanced applications including spacecraft gears, high-performance sporting goods and bio-implants, all of which demand high surface degradation resistance. Here, we evaluated the phase-specific electrochemical and friction characteristics of a Zr-based metallic glass composite, Zr 56.2 Ti 13.8 Nb 5.0 Cu 6.9 Ni 5.6 Be 12.5 , which comprised roughly of 40% by volume crystalline dendrites in an amorphous matrix. The amorphous matrix showed higher hardness and friction coefficient compared to the crystalline dendrites. But sliding reciprocating tests for the composite revealed inter-phase delamination rather than preferred wearing of one phase. Pitting during potentiodynamic polarization in NaCl solution was prevalent at the inter-phase boundary, confirming that galvanic coupling was the predominant corrosion mechanism. Scanning vibration electrode technique demonstrated that the amorphous matrix corroded much faster than the crystalline dendrites due to its unfavorable chemistry. Relative work function values measured using scanning kelvin probe showed the amorphous matrix to be more electropositive, which explain its preferred corrosion over the crystalline dendrites as well as its characteristic friction behavior. This study paves the way for careful partitioning of elements between the two phases in a metallic glass composite to tune its surface degradation behavior for a range of advanced applications.

  11. Atomic-level structures and physical properties of magnetic CoSiB metallic glasses

    International Nuclear Information System (INIS)

    Shan, Guangcun; Liang Zhang, Ji; Li, Jiong; Zhang, Shuo; Jiang, Zheng; Huang, Yuying; Shek, Chan-Hung

    2014-01-01

    Two CoSiB metallic glasses of low Co contents, which consist of different clusters, have recently been developed by addition of solute atoms. In this work, the atomic structure and the magnetic properties of the two CoBSi metallic glasses were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) computational techniques. Besides, the origin of these magnetic behaviors was discussed in view of the EXAFS results and atomic structures of the metallic glasses. - Graphical abstract: The atomic structure and the origins of the magnetic properties of two ternary CoBSi metallic glasses were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) techniques. - Highlights: • The atomic structure and the origins of the magnetic properties of two ternary CoBSi metallic glasses were revealed. • The atomic structures were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) techniques. • The experimental spectra were in good agreement with the predictions of ab initio full multiple scattering theory using the FEFF8.4 code. • The origin of these magnetic behaviors was discussed in view of the EXAFS results and atomic structures of the metallic glasses. • These two metallic glasses consist of different clusters, and hence different magnetic properties, which are dominated by short-range orders (SROs)

  12. The fundamental structural factor in determining the glass-forming ability and mechanical behavior in the Cu-Zr metallic glasses

    International Nuclear Information System (INIS)

    Sha, Z.D.; Feng, Y.P.; Li, Y.

    2011-01-01

    Research highlights: → A weak but significant hump in trend of the coordinate number and density was observed, respectively. → Our findings indicate our simulation is more accurate to describe the atomic structure of Cu-Zr MGs. The composition-structure-properties correlation was established. → And the effective structural unit for this correlation is the Cu-centered full icosahedra. - Abstract: Using the large-scale atomic/molecular massively parallel simulator, the quantitative composition-structure-properties (including glass-forming ability (GFA) and mechanical behavior) correlations in the Cu-Zr metallic glasses were established. The atomic-level origin of these correlations was tracked down. It was found that the Cu-centered full icosahedron is the microscopic factor that fundamentally influences both GFA and mechanical behavior. Our findings have implications for understanding the nature, forming ability and properties of metallic glasses, and for searching novel metallic glasses with unique functional properties.

  13. First-principles calculation of the structural stability of 6d transition metals

    International Nuclear Information System (INIS)

    Oestlin, A.; Vitos, L.

    2011-01-01

    The phase stability of the 6d transition metals (elements 103-111) is investigated using first-principles electronic-structure calculations. Comparison with the lighter transition metals reveals that the structural sequence trend is broken at the end of the 6d series. To account for this anomalous behavior, the effect of relativity on the lattice stability is scrutinized, taking different approximations into consideration. It is found that the mass-velocity and Darwin terms give important contributions to the electronic structure, leading to changes in the interstitial charge density and, thus, in the structural energy difference.

  14. Characterizing unknown systematics in large scale structure surveys

    International Nuclear Information System (INIS)

    Agarwal, Nishant; Ho, Shirley; Myers, Adam D.; Seo, Hee-Jong; Ross, Ashley J.; Bahcall, Neta; Brinkmann, Jonathan; Eisenstein, Daniel J.; Muna, Demitri; Palanque-Delabrouille, Nathalie; Yèche, Christophe; Pâris, Isabelle; Petitjean, Patrick; Schneider, Donald P.; Streblyanska, Alina; Weaver, Benjamin A.

    2014-01-01

    Photometric large scale structure (LSS) surveys probe the largest volumes in the Universe, but are inevitably limited by systematic uncertainties. Imperfect photometric calibration leads to biases in our measurements of the density fields of LSS tracers such as galaxies and quasars, and as a result in cosmological parameter estimation. Earlier studies have proposed using cross-correlations between different redshift slices or cross-correlations between different surveys to reduce the effects of such systematics. In this paper we develop a method to characterize unknown systematics. We demonstrate that while we do not have sufficient information to correct for unknown systematics in the data, we can obtain an estimate of their magnitude. We define a parameter to estimate contamination from unknown systematics using cross-correlations between different redshift slices and propose discarding bins in the angular power spectrum that lie outside a certain contamination tolerance level. We show that this method improves estimates of the bias using simulated data and further apply it to photometric luminous red galaxies in the Sloan Digital Sky Survey as a case study

  15. Large-Scale Structure of the Carina Nebula.

    Science.gov (United States)

    Smith; Egan; Carey; Price; Morse; Price

    2000-04-01

    Observations obtained with the Midcourse Space Experiment (MSX) satellite reveal for the first time the complex mid-infrared morphology of the entire Carina Nebula (NGC 3372). On the largest size scale of approximately 100 pc, the thermal infrared emission from the giant H ii region delineates one coherent structure: a (somewhat distorted) bipolar nebula with the major axis perpendicular to the Galactic plane. The Carina Nebula is usually described as an evolved H ii region that is no longer actively forming stars, clearing away the last vestiges of its natal molecular cloud. However, the MSX observations presented here reveal numerous embedded infrared sources that are good candidates for sites of current star formation. Several compact infrared sources are located at the heads of dust pillars or in dark globules behind ionization fronts. Because their morphology suggests a strong interaction with the peculiar collection of massive stars in the nebula, we speculate that these new infrared sources may be sites of triggered star formation in NGC 3372.

  16. On soft limits of large-scale structure correlation functions

    International Nuclear Information System (INIS)

    Ben-Dayan, Ido; Konstandin, Thomas; Porto, Rafael A.; Sagunski, Laura

    2014-11-01

    We study soft limits of correlation functions for the density and velocity fields in the theory of structure formation. First, we rederive the (resummed) consistency conditions at unequal times using the eikonal approximation. These are solely based on symmetry arguments and are therefore universal. Then, we explore the existence of equal-time relations in the soft limit which, on the other hand, depend on the interplay between soft and hard modes. We scrutinize two approaches in the literature: The time-flow formalism, and a background method where the soft mode is absorbed into a locally curved cosmology. The latter has been recently used to set up (angular averaged) 'equal-time consistency relations'. We explicitly demonstrate that the time-flow relations and 'equal-time consistency conditions' are only fulfilled at the linear level, and fail at next-to-leading order for an Einstein de-Sitter universe. While applied to the velocities both proposals break down beyond leading order, we find that the 'equal-time consistency conditions' quantitatively approximates the perturbative results for the density contrast. Thus, we generalize the background method to properly incorporate the effect of curvature in the density and velocity fluctuations on short scales, and discuss the reasons behind this discrepancy. We conclude with a few comments on practical implementations and future directions.

  17. Auxiliary basis expansions for large-scale electronic structure calculations.

    Science.gov (United States)

    Jung, Yousung; Sodt, Alex; Gill, Peter M W; Head-Gordon, Martin

    2005-05-10

    One way to reduce the computational cost of electronic structure calculations is to use auxiliary basis expansions to approximate four-center integrals in terms of two- and three-center integrals, usually by using the variationally optimum Coulomb metric to determine the expansion coefficients. However, the long-range decay behavior of the auxiliary basis expansion coefficients has not been characterized. We find that this decay can be surprisingly slow. Numerical experiments on linear alkanes and a toy model both show that the decay can be as slow as 1/r in the distance between the auxiliary function and the fitted charge distribution. The Coulomb metric fitting equations also involve divergent matrix elements for extended systems treated with periodic boundary conditions. An attenuated Coulomb metric that is short-range can eliminate these oddities without substantially degrading calculated relative energies. The sparsity of the fit coefficients is assessed on simple hydrocarbon molecules and shows quite early onset of linear growth in the number of significant coefficients with system size using the attenuated Coulomb metric. Hence it is possible to design linear scaling auxiliary basis methods without additional approximations to treat large systems.

  18. Characterizing unknown systematics in large scale structure surveys

    Energy Technology Data Exchange (ETDEWEB)

    Agarwal, Nishant; Ho, Shirley [McWilliams Center for Cosmology, Department of Physics, Carnegie Mellon University, Pittsburgh, PA 15213 (United States); Myers, Adam D. [Department of Physics and Astronomy, University of Wyoming, Laramie, WY 82071 (United States); Seo, Hee-Jong [Berkeley Center for Cosmological Physics, LBL and Department of Physics, University of California, Berkeley, CA 94720 (United States); Ross, Ashley J. [Institute of Cosmology and Gravitation, University of Portsmouth, Portsmouth, PO1 3FX (United Kingdom); Bahcall, Neta [Princeton University Observatory, Peyton Hall, Princeton, NJ 08544 (United States); Brinkmann, Jonathan [Apache Point Observatory, P.O. Box 59, Sunspot, NM 88349 (United States); Eisenstein, Daniel J. [Harvard-Smithsonian Center for Astrophysics, 60 Garden St., Cambridge, MA 02138 (United States); Muna, Demitri [Department of Astronomy, Ohio State University, Columbus, OH 43210 (United States); Palanque-Delabrouille, Nathalie; Yèche, Christophe [CEA, Centre de Saclay, Irfu/SPP, F-91191 Gif-sur-Yvette (France); Pâris, Isabelle [Departamento de Astronomía, Universidad de Chile, Casilla 36-D, Santiago (Chile); Petitjean, Patrick [Université Paris 6 et CNRS, Institut d' Astrophysique de Paris, 98bis blvd. Arago, 75014 Paris (France); Schneider, Donald P. [Department of Astronomy and Astrophysics, Pennsylvania State University, University Park, PA 16802 (United States); Streblyanska, Alina [Instituto de Astrofisica de Canarias (IAC), E-38200 La Laguna, Tenerife (Spain); Weaver, Benjamin A., E-mail: nishanta@andrew.cmu.edu [Center for Cosmology and Particle Physics, New York University, New York, NY 10003 (United States)

    2014-04-01

    Photometric large scale structure (LSS) surveys probe the largest volumes in the Universe, but are inevitably limited by systematic uncertainties. Imperfect photometric calibration leads to biases in our measurements of the density fields of LSS tracers such as galaxies and quasars, and as a result in cosmological parameter estimation. Earlier studies have proposed using cross-correlations between different redshift slices or cross-correlations between different surveys to reduce the effects of such systematics. In this paper we develop a method to characterize unknown systematics. We demonstrate that while we do not have sufficient information to correct for unknown systematics in the data, we can obtain an estimate of their magnitude. We define a parameter to estimate contamination from unknown systematics using cross-correlations between different redshift slices and propose discarding bins in the angular power spectrum that lie outside a certain contamination tolerance level. We show that this method improves estimates of the bias using simulated data and further apply it to photometric luminous red galaxies in the Sloan Digital Sky Survey as a case study.

  19. Far field scattering pattern of differently structured butterfly scales

    NARCIS (Netherlands)

    Giraldo, M. A.; Yoshioka, S.; Stavenga, D. G.

    The angular and spectral reflectance of single scales of five different butterfly species was measured and related to the scale anatomy. The scales of the pierids Pieris rapae and Delias nigrina scatter white light randomly, in close agreement with Lambert's cosine law, which can be well understood

  20. Femtosecond structural dynamics on the atomic length scale

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Dongfang

    2014-03-15

    This thesis reports on the development and application of two different but complementary ultrafast electron diffraction setups built at the Max Planck Research Department for Structural Dynamics. One is an ultra-compact femtosecond electron diffraction (FED) setup (Egun300), which is currently operational (with a maximum electron energy of 150 keV) and provides ultrashort (∝300 fs) and bright (∝10 e/μm{sup 2}) electron bunches. The other one, named as Relativistic Electron Gun for Atomic Exploration (REGAE) is a radio frequency driven 2 to 5 MeV FED setup built in collaboration with different groups from DESY. REGAE was developed as a facility that will provide high quality diffraction with sufficient coherence to even address structural protein dynamics and with electron pulses as short as 20 fs (FWHM). As one of the first students in Prof. R.J. Dwayne Miller's group, I led the femtosecond (fs) laser sub-group at REGAE being responsible for the construction of different key optical elements required to drive both of aforementioned FED systems. A third harmonic generation (THG) and a nonlinear optical parametric amplifier (NOPA) have been used for the photo-generation of ultrashort electron bursts as well as sample laser excitation. Different diagnostic tools have been constructed to monitor the performance of the fs optical system. A fast autocorrelator was developed to provide on the fly pulse duration correction. A transient-grating frequency-resolved optical gating (TG-FROG) was built to obtain detail information about the characteristics of fs optical pulse, i.e. phase and amplitude of its spectral components. In addition to these optical setups, I developed a fs optical pump-probe system, which supports broadband probe pulses. This setup was successfully applied to investigate the semiconductor-to-metal photoinduced phase transition in VO{sub 2} and the ultrafast photo-reduction mechanism of graphene oxide. In regard to FED setups, I have been