Nature of the metal-support interface in supported metal catalysts: results from x-ray absorption spectroscopy

NARCIS (Netherlands)

Koningsberger, D.C.; Gates, B.C.

1992-01-01

X-ray absorption spectra characterizing the metal-support interface in supported metal complexes and supported metal catalysts are summarized and evaluated with 29 refs. Mononuclear transition metal complexes on non-reducible metal oxide supports are bonded with metal-oxygen bonds of .apprx.2.15

NMR evidence of metal-support interaction in syngas conversion catalyst Co-TiO2

International Nuclear Information System (INIS)

Murty, A.N.; Seamster, M.; Thorpe, A.N.; Obermyer, R.T.; Rao, V.U.S.

1990-01-01

To examine the relation between catalytic and magnetic properties, the zero-field NMR spectra and hysteresis loops of cobalt supported on silica, alumina, magnesia, titania, and ZSM-5 with and without the promoter thoria were investigated. Cobalt was incorporated on the support by simple physical admixture of precipitated cobalt and support, and by aqueous impregnation technique. Our studies indicate that the particle sizes are consistently lower in the presence of thoria. Of all the catalysts examined, the Co/Th/TiO 2 catalyst exhibits a high saturation magnetization value---about 20% higher than pure cobalt. In addition, the NMR spectrum of the aqueous impregnation Co/TiO 2 catalyst is distinctly different from the rest. All the NMR lines are shifted to a higher frequency by about 4 MHz. These two features---enhancement of the magnetic moment of cobalt atoms and increases in the hyperfine field at the Co nucleus---clearly indicate that there occurs strong metal-support interaction between cobalt and titania support. The higher hydrocarbon yields observed by the earlier investigators with Co/TiO 2 catalysts might be related to this phenomenon

Trace Metal Requirements and Interactions in Symbiodinium kawagutii

Directory of Open Access Journals (Sweden)

Irene B. Rodriguez

2018-02-01

Full Text Available Photosynthetic organisms need trace metals for various biological processes and different groups of microalgae have distinctive obligate necessities due to their respective biochemical requirements and ecological niches. We have previously shown that the dinoflagellate Symbiodinium kawagutii requires high concentrations of bioavailable Fe to achieve optimum growth. Here, we further explored the trace metal requirements of S. kawagutii with intensive focus on the effect of individual metal and its interaction with other divalent metals. We found that low Zn availability significantly decreases growth rates and results in elevated intracellular Mn, Co, Ni, and Fe quotas in the dinoflagellate. The results highlight the complex interaction among trace metals in S. kawagutii and suggest either metal replacement strategy to counter low Zn availability or enhanced uptake of other metals by non-specific divalent metal transporters. In this work, we also examined the Fe requirement of S. kawagutii using continuous cultures. We validated that 500 pM of Fe′ was sufficient to support maximum cell density during steady state growth period either at 26 or 28°C. This study shows that growth of S. kawagutii was limited by metal availability in the following order, Fe > Zn > Mn > Cu > Ni > Co. The fundamental information obtained for the free-living Symbiodinium shall provide insights into how trace metal availability, either from ambient seawater or hosts, affects growth and proliferation of symbiotic dinoflagellates and the interaction between symbiont and their hosts.

Femtosecond laser-plasma interaction with prepulse-generated liquid metal microjets

International Nuclear Information System (INIS)

Uryupina, D. S.; Ivanov, K. A.; Savel'ev, A. B.; Volkov, R. V.; Brantov, A. V.; Bychenkov, V. Yu.; Povarnitsyn, M. E.; Tikhonchuk, V. T.

2012-01-01

Ultrashort laser pulse interaction with a microstructured surface of a melted metal is a promising source of hard x-ray radiation. Microstructuring is achieved by a weak prepulse that produces narrow high-density microjets. As an x-ray source, the interaction of the main laser pulse with such jets is shown to be nearly two orders of magnitude more efficient than the interaction with ordinary metal targets. This paper presents the results of optical and x-ray studies of laser-plasma interaction physics under such conditions supported by numerical simulations of microjet formation and fast-electron generation.

Femtosecond laser-plasma interaction with prepulse-generated liquid metal microjets

Energy Technology Data Exchange (ETDEWEB)

Uryupina, D. S.; Ivanov, K. A.; Savel' ev, A. B.; Volkov, R. V. [Faculty of Physics and International Laser Center of M.V. Lomonosov Moscow State University, 119991 Moscow, Leninskie Gory (Russian Federation); Brantov, A. V.; Bychenkov, V. Yu. [P. N. Lebedev Physical Institute, Russian Academy of Sciences, 119991 Moscow (Russian Federation); Povarnitsyn, M. E. [Joint Institute for High Temperatures, Russian Academy of Sciences, 125412 Moscow (Russian Federation); Tikhonchuk, V. T. [CELIA, University of Bordeaux - CNRS - CEA, 33405 Talence (France)

2012-01-15

Ultrashort laser pulse interaction with a microstructured surface of a melted metal is a promising source of hard x-ray radiation. Microstructuring is achieved by a weak prepulse that produces narrow high-density microjets. As an x-ray source, the interaction of the main laser pulse with such jets is shown to be nearly two orders of magnitude more efficient than the interaction with ordinary metal targets. This paper presents the results of optical and x-ray studies of laser-plasma interaction physics under such conditions supported by numerical simulations of microjet formation and fast-electron generation.

Selective CO Methanation on Ru/TiO2 Catalysts: Role and Influence of Metal-Support Interactions

DEFF Research Database (Denmark)

Abdel-Mageed, Ali M.; Widmann, D.; Olesen, Sine Ellemann

2015-01-01

Aiming at a detailed understanding of the role of metal-support interactions in the selective methanation of CO in CO2-rich reformate gases, we have investigated the catalytic performance of a set of Ru/TiO2 catalysts with comparable Ru loading, Ru particle size, and TiO2 phase composition but very...... different surface areas (ranging from 20 to 235 m2 g-1) in this reaction. The activity for CO methanation, under steady-state conditions, was found to strongly depend on the TiO2 support surface area, increasing first with increasing surface area up to a maximum activity for the Ru/TiO2 catalyst...... with a surface area of 121 m2 g-1 and then decreasing for an even higher surface area; however, the selectivity is mainly determined by the Ru particle size, which slightly decreases with increasing support surface area. This goes along with an increase in selectivity for CO methanation, in agreement...

Strategies to prepare TiO2 thin films, doped with transition metal ions, that exhibit specific physicochemical properties to support osteoblast cell adhesion and proliferation

International Nuclear Information System (INIS)

Dhayal, Marshal; Kapoor, Renu; Sistla, Pavana Goury; Pandey, Ravi Ranjan; Kar, Satabisha; Saini, Krishan Kumar; Pande, Gopal

2014-01-01

Metal ion doped titanium oxide (TiO 2 ) thin films, as bioactive coatings on metal or other implantable materials, can be used as surfaces for studying the cell biological properties of osteogenic and other cell types. Bulk crystallite phase distribution and surface carbon–oxygen constitution of thin films, play an important role in determining the biological responses of cells that come in their contact. Here we present a strategy to control the polarity of atomic interactions between the dopant metal and TiO 2 molecules and obtain surfaces with smaller crystallite phases and optimal surface carbon–oxygen composition to support the maximum proliferation and adhesion of osteoblast cells. Our results suggest that surfaces, in which atomic interactions between the dopant metals and TiO 2 were less polar, could support better adhesion, spreading and proliferation of cells. - Highlights: • Electrochemical properties of dopants control the nature of TiO 2 thin films. • A model explains the correlation of dopant properties and behaviour of TiO 2 films. • Dopants with less polar interaction with TiO 2 exhibit better biological activity

Polymer-supported reagents with enhanced metal ion recognition: Application to separations science

International Nuclear Information System (INIS)

Alexandratos, S.D.

1993-01-01

The design and development of polymer-supported reagents with ever-increasing specificities for targeted metal ions remains an important areas of research. The need for efficient separation schemes for both ions and molecules has been outlined in a report by the National Research Council (King) and will gain increased emphasis as environmental restoration is pursued. Polymer-supported reagents are unique in their ability to be applied in an environmentally benign manner to a host of challenges. Such reagents, in the form of beads, can be applied to continuous separation processes ranging from the removal of metal ions in water to the recovery of medicinal drugs produced through biotechnological means. The application of polymer-supported reagents to metal ion separations still requires developing a fundamental understanding of ligand-metal interactions, the role of the polymer in those interactions, and the methods of synthesizing such polymeric reagents in a readily applicable form. Ion exchange resins with sulfonic acid ligands are the prototypical polymer-supported reagents, and their properties have been exhaustively studied (Helfferich). The high acidity of the sulfonic acid group, however, precludes much selectivity, and it displays a very limited range of reaction free energy values with different metal ions (Boyd et al.). The carboxylic acid ligand, present in the acrylate resins, is more selective, though its weak acidity requires relatively high pH solutions for it to be effective. Research has thus been focused on the preparation of polymer-supported reagents with high levels of specificity for targeted metal ions

A control on hydrophobic and hydrophilic interactions between HEWL and metal Schiff-base complexes comprising of different metal ions and ligands

Energy Technology Data Exchange (ETDEWEB)

Koley Seth, Banabithi; Ray, Aurkie; Basu, Samita, E-mail: samita.basu@saha.ac.in

2015-05-15

The structural effects of different copper(II) and nickel(II) Schiff base complexes on hen egg white lysozyme (HEWL) have been investigated through steady state and time resolved absorption and fluorescence, and circular dichroism spectroscopy. The Schiff base ligands with N{sub 4} donor atoms show both hydrophobic and hydrophilic interactions, however hydrophilic interaction prevails with ligands having N{sub 2}O{sub 2} donor atoms. Variation of metal ions from Cu{sup 2+} to Ni{sup 2+} with each type of Schiff base ligand increases the probability of hydrophilic over hydrophobic interactions, which supports their significance in regulating the binding affinity between HEWL and metal complexes. On photo-excitation the complexes comprising of Cu{sup 2+} ion instead of Ni{sup 2+} ion and ligands with N{sub 4} donor system rather than N{sub 2}O{sub 2} donor system, increases the probability of intersystem crossing to populate the corresponding triplet state as observed from laser flash photolysis study. The better binding affinity of nickel complexes with different selectivities compared to copper complexes towards HEWL emphasizes the potentiality of less explored nickel complexes in drug–protein interactions. - Highlights: • Ni{sup II} and Cu{sup II} -Schiff base complexes bind hen egg white lysozyme spontaneously. • Both hydrophobic and hydrophilic interactions are effective for N{sub 4} ligands. • For N{sub 2}O{sub 2} ligands the hydrophilic is predominant over hydrophobic interaction. • Binding affinity and selectivity of Ni{sup II}-complexes are better than Cu{sup II}-complexes. • Replacement of Cu{sup 2+} by Ni{sup 2+} in a ligand enhances chance of hydrophilic interaction.

Transition-Metal-Controlled Inorganic Ligand-Supported Non-Precious Metal Catalysts for the Aerobic Oxidation of Amines to Imines.

Science.gov (United States)

Yu, Han; Zhai, Yongyan; Dai, Guoyong; Ru, Shi; Han, Sheng; Wei, Yongge

2017-10-09

Most state-of-art transition-metal catalysts usually require organic ligands, which are essential for controlling the reactivity and selectivity of reactions catalyzed by transition metals. However, organic ligands often suffer from severe problems including cost, toxicity, air/moisture sensitivity, and being commercially unavailable. Herein, we show a simple, mild, and efficient aerobic oxidation procedure of amines using inorganic ligand-supported non-precious metal catalysts 1, (NH 4 ) n [MMo 6 O 18 (OH) 6 ] (M=Cu 2+ ; Fe 3+ ; Co 3+ ; Ni 2+ ; Zn 2+ , n=3 or 4), synthesized by a simple one-step method in water at 100 °C, demonstrating that the catalytic activity and selectivity can be significantly improved by changing the central metal atom. In the presence of these catalysts, the catalytic oxidation of primary and secondary amines, as well as the coupling of alcohols and amines, can smoothly proceed to afford various imines with O 2 (1 atm) as the sole oxidant. In particular, the catalysts 1 have transition-metal ion core, and the planar arrangement of the six Mo VI centers at their highest oxidation states around the central heterometal can greatly enhance the Lewis acidity of catalytically active sites, and also enable the electrons in the center to delocalize onto the six edge-sharing MO 6 units, in the same way as ligands in traditional organometallic complexes. The versatility of this methodology maybe opens a path to catalytic oxidation through inorganic ligand-coordinated metal catalysis. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Enhanced and tunable electric dipole-dipole interactions near a planar metal film

Science.gov (United States)

Zhou, Lei-Ming; Yao, Pei-Jun; Zhao, Nan; Sun, Fang-Wen

2017-08-01

We investigate the enhanced electric dipole-dipole interaction of surface plasmon polaritons (SPPs) supported by a planar metal film waveguide. By taking two nitrogen-vacancy (NV) center electric dipoles in diamond as an example, both the coupling strength and collective relaxation of two dipoles are studied with the numerical Green Function method. Compared to two-dipole coupling on a planar surface, metal film provides stronger and tunable coupling coefficients. Enhancement of the interaction between coupled NV center dipoles could have applications in both quantum information and energy transfer investigation. Our investigation provides systematic results for experimental applications based on a dipole-dipole interaction mediated with SPPs on a planar metal film.

Controlling Thermal Expansion: A Metal-Organic Frameworks Route.

Science.gov (United States)

Balestra, Salvador R G; Bueno-Perez, Rocio; Hamad, Said; Dubbeldam, David; Ruiz-Salvador, A Rabdel; Calero, Sofia

2016-11-22

Controlling thermal expansion is an important, not yet resolved, and challenging problem in materials research. A conceptual design is introduced here, for the first time, for the use of metal-organic frameworks (MOFs) as platforms for controlling thermal expansion devices that can operate in the negative, zero, and positive expansion regimes. A detailed computer simulation study, based on molecular dynamics, is presented to support the targeted application. MOF-5 has been selected as model material, along with three molecules of similar size and known differences in terms of the nature of host-guest interactions. It has been shown that adsorbate molecules can control, in a colligative way, the thermal expansion of the solid, so that changing the adsorbate molecules induces the solid to display positive, zero, or negative thermal expansion. We analyze in depth the distortion mechanisms, beyond the ligand metal junction, to cover the ligand distortions, and the energetic and entropic effect on the thermo-structural behavior. We provide an unprecedented atomistic insight on the effect of adsorbates on the thermal expansion of MOFs as a basic tool toward controlling the thermal expansion.

A physical model for laser metal vapour interactions and laser supported detonation waves

International Nuclear Information System (INIS)

Liu Chenghai; Pei Wenbing; Yan Jun; Fan Furu

1990-05-01

A physical model for laser metal-vapour interactions has been developed in this paper. The model developed by authors has been used to study numerically the Laser Supported Detonation Waves (LSDWs) in vapour in front of metal targets, and some good results about LSDWs, such as ignition mechanism, threshold, propagation law and so on, have been obtained numerically with the model. In the model developed, a assumption for non-equilibrium between electrons and ions has been taken, and the target vapour has been discribed with two-temperature hydrodynamic equations of electrons and ions in the Euler space. The ionization-equilibrium assumption has been taken, and the Saha equations have been solved. The laser energy is absorbed due to inverse bremsstrahlung. Energy exchange between electrons and ions is by Coulomb scattering, and energy exchange between electrons and neutral particles is by way of electron-neutral elastic scattering. Electron and ion (including neutral particle) thermal conductions are taken respectively. The LSDWs threshold obtained is in agreement with experement reasonably, and a power law between LSDWs threshold and laser pulse duration, I th ∞τ p -1/2 , has been obtained. Some useful results about the LSDWs shield effects have also been obtained. In the developping phase of LSDWs, the optical thickness of front of LSDWs may reach 5 ∼ 10 in order of magnitude. It is shown that the LSDWs are able to play a very strong shield role

Sustainable preparation of supported metal nanoparticles and their applications in catalysis.

Science.gov (United States)

Campelo, Juan M; Luna, Diego; Luque, Rafael; Marinas, José M; Romero, Antonio A

2009-01-01

Metal nanoparticles have attracted much attention over the last decade owing to their unique properties as compared to their bulk metal equivalents, including a large surface-to-volume ratio and tunable shapes. To control the properties of nanoparticles with particular respect to shape, size and dispersity is imperative, as these will determine the activity in the desired application. Supported metal nanoparticles are widely employed in catalysis. Recent advances in controlling the shape and size of nanoparticles have opened the possibility to optimise the particle geometry for enhanced catalytic activity, providing the optimum size and surface properties for specific applications. This Review describes the state of the art with respect to the preparation and use of supported metal nanoparticles in catalysis. The main groups of such nanoparticles (noble and transition metal nanoparticles) are highlighted and future prospects are discussed.

Strong Metal Support Interaction of Pt and Ru Nanoparticles Deposited on HOPG Probed by the H-D Exchange Reaction

DEFF Research Database (Denmark)

Fiordaliso, Elisabetta M.; Dahl, Søren; Chorkendorff, Ib

2012-01-01

The interaction between metals and support is investigated in the case of 50 Å Pt and 50 Å Ru films deposited on a HOPG substrate. The films are prepared by electron beam physical vapor deposition and annealed in UHV to temperatures up to 700 °C. The equilibrium hydrogen exchange rate between...... adsorbed and gas phase at 1 bar is measured before and after annealing. The rate is measured in the temperature range of 40–200 °C at 1 bar, by utilization of the H-D exchange reaction. Experiments are performed on fresh cleaved and sputtered HOPG, which give similar results. We find that annealing...... the films from 150 up to 700 °C increases the amount of carbon present in the films up to 95%, as derived by surface analysis, indicating the formation of a carbon layer on top of the metal films. The exchange rate decreases dramatically with increasing carbon content on the films for both metals, pointing...

A Discovery of Strong Metal-Support Bonding in Nanoengineered Au-Fe3O4 Dumbbell-like Nanoparticles by in Situ Transmission Electron Microscopy.

Science.gov (United States)

Han, Chang Wan; Choksi, Tej; Milligan, Cory; Majumdar, Paulami; Manto, Michael; Cui, Yanran; Sang, Xiahan; Unocic, Raymond R; Zemlyanov, Dmitry; Wang, Chao; Ribeiro, Fabio H; Greeley, Jeffrey; Ortalan, Volkan

2017-08-09

The strength of metal-support bonding in heterogeneous catalysts determines their thermal stability, therefore, a tremendous amount of effort has been expended to understand metal-support interactions. Herein, we report the discovery of an anomalous "strong metal-support bonding" between gold nanoparticles and "nano-engineered" Fe 3 O 4 substrates by in situ microscopy. During in situ vacuum annealing of Au-Fe 3 O 4 dumbbell-like nanoparticles, synthesized by the epitaxial growth of nano-Fe 3 O 4 on Au nanoparticles, the gold nanoparticles transform into the gold thin films and wet the surface of nano-Fe 3 O 4 , as the surface reduction of nano-Fe 3 O 4 proceeds. This phenomenon results from a unique coupling of the size-and shape-dependent high surface reducibility of nano-Fe 3 O 4 and the extremely strong adhesion between Au and the reduced Fe 3 O 4 . This strong metal-support bonding reveals the significance of controlling the metal oxide support size and morphology for optimizing metal-support bonding and ultimately for the development of improved catalysts and functional nanostructures.

Interaction between demand-control and social support in the occurrence of common mental disorders

Directory of Open Access Journals (Sweden)

Amália Ivine Santana Mattos

Full Text Available ABSTRACT OBJECTIVE To analyze the interaction between the psychosocial aspects of work and the occurrence of common mental disorders among health workers. METHODS This is a cross-sectional study conducted with a representative sample of workers of the primary health care of five municipalities of the State of Bahia, Brazil, in 2012. The variable of outcome were the common mental disorders evaluated by the SRQ-20, and the variables of exposure were high demand (high psychological demand and low control over the work and low social support in the workplace. Interaction was checked by the deviation of the additivity of the effects for the factors studied from the calculation of excess risk from interaction, proportion of cases attributed to interaction, and the synergy index. RESULTS The global prevalence of common mental disorders was 21%. The group of combined exposure has shown higher magnitude (high demand and low social support, reaching 28% when compared to the 17% in the situation of no exposure (low demand and high social support. CONCLUSIONS The results strengthen the hypothesis of interaction between the factors investigated, directing to the synergy of the effects.

A spectroscopic and catalytic investigation of active phase-support interactions

Energy Technology Data Exchange (ETDEWEB)

Haller, G.L.

1991-01-01

Active catalytic phases (metal, mixed metals, oxide or mixed oxides) interacting with oxide support on which the active phase is dispersed can affect the percentage exposed, the morphology of supported particles, the degree of reducibility of cations, etc., in a variety of ways. Our objective is to characterize the physical chemistry of the active phase-oxide support by spectroscopic methods and to correlate this structure with catalytic function. The three systems discussed in this progress report are Ag/TiO{sub 2}, Ru-Cu/SiO{sub 2} and SiO{sub 2}/Al{sub 2}O{sub 3}. 24 refs., 3 figs., 2 tabs.

Practical considerations and effects of metallic screen fluorescence and backscatter control in gamma computed radiography

International Nuclear Information System (INIS)

Mango, Steven

2016-01-01

It is a fairly common misconception that the role of metallic screens used with computed radiography is primarily that of scatter control, and that any amplification of the image signal is minimal. To the contrary, this paper shows how the physical interaction between gamma rays and front metallic screens can yield a significant boost in signal and whether that increased signal is, in fact, beneficial or detrimental to image quality. For rear metallic screens, this signal boost is differentiated from backscatter, and image quality considerations should be more carefully thought out because of the separation between the screen and the imaging layer provided by the imaging plate support. Various physical interactions are explained, and a series of practical experiments show the various changes in signal level and image quality with various thicknesses of lead and copper screens. Recommendations are made for the configuration of the imaging plate and screens for optimum image quality and for the control and monitoring of scatter.

Metal interactions with boron clusters

International Nuclear Information System (INIS)

Grimes, R.N.

1982-01-01

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

Toehold-mediated internal control to probe the near-field interaction between the metallic nanoparticle and the fluorophore

Science.gov (United States)

Ang, Y. S.; Yung, L. Y. L.

2014-10-01

Metallic nanoparticles (MNPs) are known to alter the emission of vicinal fluorophores through the near-field interaction, leading to either fluorescence quenching or enhancement. Much ambiguity remains in the experimental outcome of such a near-field interaction, particularly for bulk colloidal solution. It is hypothesized that the strong far-field interference from the inner filter effect of the MNPs could mask the true near-field MNP-fluorophore interaction significantly. Thus, in this work, a reliable internal control capable of decoupling the near-field interaction from far-field interference is established by the use of the DNA toehold concept to mediate the in situ assembly and disassembly of the MNP-fluorophore conjugate. A model gold nanoparticle (AuNP)-Cy3 system is used to investigate our proposed toehold-mediated internal control system. The maximum fluorescence enhancement is obtained for large-sized AuNP (58 nm) separated from Cy3 at an intermediate distance of 6.8 nm, while fluorescence quenching is observed for smaller-sized AuNP (11 nm and 23 nm), which is in agreement with the theoretical values reported in the literature. This work shows that the toehold-mediated internal control design can serve as a central system for evaluating the near-field interaction of other MNP-fluorophore combinations and facilitate the rational design of specific MNP-fluorophore systems for various applications.Metallic nanoparticles (MNPs) are known to alter the emission of vicinal fluorophores through the near-field interaction, leading to either fluorescence quenching or enhancement. Much ambiguity remains in the experimental outcome of such a near-field interaction, particularly for bulk colloidal solution. It is hypothesized that the strong far-field interference from the inner filter effect of the MNPs could mask the true near-field MNP-fluorophore interaction significantly. Thus, in this work, a reliable internal control capable of decoupling the near

Interaction analysis of chimeric metal-binding green fluorescent protein and artificial solid-supported lipid membrane by quartz crystal microbalance and atomic force microscopy

International Nuclear Information System (INIS)

Prachayasittikul, Virapong; Na Ayudhya, Chartchalerm Isarankura; Hilterhaus, Lutz; Hinz, Andreas; Tantimongcolwat, Tanawut; Galla, Hans-Joachim

2005-01-01

Non-specific adsorption and specific interaction between a chimeric green fluorescent protein (GFP) carrying metal-binding region and the immobilized zinc ions on artificial solid-supported lipid membranes was investigated using the quartz crystal microbalance technique and the atomic force microscopy (AFM). Supported lipid bilayer, composed of octanethiol and 1,2-dipalmitoyl-sn-glycero-3-phosphocholine/1,2-dioleoyl-sn-glycero-3-[N- (5-amino-1-carboxypentyl iminodiacetic acid)succinyl] (NTA-DOGS)-Zn 2+ , was formed on the gold electrode of quartz resonator (5 MHz). Binding of the chimeric GFP to zinc ions resulted in a rapid decrease of resonance frequency. Reversibility of the process was demonstrated via the removal of metal ions by EDTA. Nanoscale structural orientation of the chimeric GFP on the membrane was imaged by AFM. Association constant of the specific binding to metal ions was 2- to 3-fold higher than that of the non-specific adsorption, which was caused by the fluidization effect of the metal-chelating lipid molecules as well as the steric hindrance effect. This infers a possibility for a further development of biofunctionalized membrane. However, maximization is needed in order to attain closer advancement to a membrane-based sensor device

Sustainable green catalysis by supported metal nanoparticles.

Science.gov (United States)

Fukuoka, Atsushi; Dhepe, Paresh L

2009-01-01

The recent progress of sustainable green catalysis by supported metal nanoparticles is described. The template synthesis of metal nanoparticles in ordered porous materials is studied for the rational design of heterogeneous catalysts capable of high activity and selectivity. The application of these materials in green catalytic processes results in a unique activity and selectivity arising from the concerted effect of metal nanoparticles and supports. The high catalytic performances of Pt nanoparticles in mesoporous silica is reported. Supported metal catalysts have also been applied to biomass conversion by heterogeneous catalysis. Additionally, the degradation of cellulose by supported metal catalysts, in which bifunctional catalysis of acid and metal plays the key role for the hydrolysis and reduction of cellulose, is also reported. Copyright 2009 The Japan Chemical Journal Forum and Wiley Periodicals, Inc.

A Metal Chelating Porous Polymeric Support: The Missing Link for a Defect-free Metal-Organic Framework Composite Membrane

KAUST Repository

Barankova, Eva

2017-02-06

Since the discovery of size-selective metal-organic frameworks (MOFs), researchers have tried to incorporate these materials into gas separation membranes. Impressive gas selectivities were found, but these MOF membranes were mostly made on inorganic supports, which are generally too bulky and expensive for industrial gas separation. Forming MOF layers on porous polymer supports is industrially attractive but technically challenging. Two features to overcome these problems are described: 1) a metal chelating support polymer to bind the MOF layer, and 2) control of MOF crystal growth by contra-diffusion, aiming at a very thin nanocrystalline MOF layer. Using a metal chelating polythiosemicarbazide (PTSC) support and adjusting the metal and organic ligand concentrations carefully, a very compact ZIF-8 (ZIF=zeolitic imidazolate framework) layer was produced that displayed interference colors because of its smooth surface and extreme thinness-within the range of visible light. High performances were measured in terms of hydrogen/propane (8350) and propylene/propane (150) selectivity.

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.

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.

Liquid metal flow control by DC electromagnetic pumps

International Nuclear Information System (INIS)

Borges, Eduardo Madeira; Braz Filho, Francisco Antonio; Guimaraes, Lamartine Nogueira Frutuoso

2006-01-01

The cooling system of high-density thermal power requires fluids of high thermal conductivity, such as liquid metals. Electromagnetic pumps can be used to liquid metal fluid flow control in cooling circuits. The operation of electromagnetic pumps used to flow control is based on Lorentz force. This force can be achieved by magnetic field and electric current interaction, controlled by external independent power supplies. This work presents the electromagnetic pump operational principles, the IEAv development scheme and the BEMC-1 simulation code. The theoretical results of BEMC-1 simulation are compared to electromagnetic pump operation experimental data, validating the BEMC-1 code. This code is used to evaluate the DC electromagnetic pump performance applied to Mercury flow control and others liquid metal such as Sodium, Lead and Bismuth, used in nuclear fast reactors. (author)

Metal clusters on supported argon layers; Metallcluster auf dielektrischen Substraten

Energy Technology Data Exchange (ETDEWEB)

Faber, Bernhard

2011-10-21

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

Advances in interactive supported electro-catalysis for hydrogen and oxygen electrode reactions

Energy Technology Data Exchange (ETDEWEB)

Nedeljko V Krstajic; Ljiljana M Vracar; Jelena M Jaksic; Milan M Jaksic [Faculty of Technology and Metallurgy, University of Belgrade, Belgrade, Serbia and Montenegro (Yugoslavia); Stelios G Neophytides; Miranda Labou; Jelena M Jaksic; Milan M Jaksic [Institute of Chemical Engineering and High Temperature Chemical Processes FORTH, and Department of Chemistry, University of Patras, 26500 Patras, (Greece); Reidar Tunold [University of Trondheim, NTNU, Institute of Industrial Electrochemistry, Trondheim, (Norway); Polycarpos Falaras [Institute of Physical Chemistry, NCSR Demokritos, Attikis, Athens, (Greece)

2006-07-01

Magneli phases have been introduced as an unique electron conductive and interactive support for electro-catalysis both in hydrogen (HELR) and oxygen (OELR) electrode reactions in water electrolysis and Low Temperature PEM Fuel Cells (LT PEM FC). The Strong Metal-Support Interaction (SMSI) that imposes the former implies: (i) the hypo-hyper-d inter-bonding effect and its catalytic consequences, and (ii) the interactive primary oxide (M-OH) spillover from the hypo-d-oxide support as a dynamic electrocatalytic contribution. The stronger the bonding, the more strained appear d-orbitals, thereby the less strong the intermediate adsorptive strength in the rate determining step (RDS), and consequently, the faster the facilitated catalytic electrode reaction arises. At the same time the primary oxide spillover transferred from the hypo-d-oxide support directly interferes and reacts either individually and directly to contribute to finish the oxygen reduction, or with other interactive species, like CO to contribute to the CO tolerance. In such a respect, the conditions to provide Au to act as the reversible hydrogen electrode have been proved either by its potentiodynamic surface reconstruction in a heavy water solution, or by the nano-structured SMSI Au on anatase titania with characteristic strained d-orbitals in such a hypo-hyper-d-interactive bonding (Au/TiO{sub 2}). In the same context, the monoatomic network dispersion of Pt upon Magneli phases makes it possible to produce an advanced interactive supported electro-catalyst for cathodic oxygen reduction (ORR). The strained hypo-hyper-d-inter-electronic and inter-d-orbital metal/hypo-d-oxide support bonding relative to the strength of the latter, has been inferred to be the basis of the synergistic electrocatalytic effect both in the HELR and ORR. (authors)

Metal-ligand interactions

Science.gov (United States)

Ervin, Kent M.

Experimental studies of the interactions of small transition-metal cluster anions with carbonyl ligands are reviewed and compared with neutral and cationic clusters. Under thermal conditions, the reaction rates of transition-metal clusters with carbon monoxide are measured as a function of cluster size. Saturation limits for carbon monoxide addition can be related to the geometric structures of the clusters. Both energy-resolved threshold collision-induced dissociation experiments and time-resolved photodissociation experiments are used to measure metal-carbonyl binding energies. For platinum and palladium trimer anions, the carbonyl binding energies are assigned to different geometric binding sites. Platinum and palladium cluster anions catalyse the oxidation of carbon monoxide to carbon dioxide in a full catalytic cycle at thermal energies.

Interaction of hydrogen with metallic nanojunctions

Energy Technology Data Exchange (ETDEWEB)

Halbritter, Andras; Csonka, Szabolcs; Makk, Peter; Mihaly, Gyoergy [Electron Transport Research Group of the Hungarian Academy of Sciences and Department of Physics, Budapest University of Technology and Economics, 1111 Budapest (Hungary)

2007-03-15

We study the behavior of hydrogen molecules between atomic-sized metallic electrodes using the mechanically controllable break junction technique. We focus on the interaction H{sub 2} with monoatomic gold chains demonstrating the possibility of a hydrogen molecule being incorporated in the chain. We also show that niobium is strongly reactive with hydrogen, which enables molecular transport studies between superconducting electrodes. This opens the possibility for a full characterization of the transmission properties of molecular junctions with superconducting subgap structure measurements.

Study on the effect of the metal-support (Fe-MgO and Pt-MgO) interaction in alcohol-CVD synthesis of carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Steplewska, Anna, E-mail: asteplewska@zut.edu.pl; Borowiak-Palen, Ewa [West Pomeranian University of Technology, Centre of Knowledge Based Nanomaterials and Technologies, Institute of Chemical and Environment Engineering (Poland)

2011-05-15

This study presents the effect of the metal-support interaction in two systems: (1) iron particle, and (2) platinum particles, being supported on magnesium oxide (MgO) nanopowder in alcohol-CVD process for carbon nanotubes (CNTs) growth. The employment of the different metals but the same substrate (with equal molar ratio) resulted in the synthesis of single-walled CNTs (SWCNTs) or double-walled CNTs (DWCNTs), using iron and platinum, respectively. Furthermore, along with the prolongation of the process time, the decrease of the mean nanotubes diameter in case of iron-catalyzed materials was detected. Interestingly, the extention of the growth time in the synthesis using Pt/MgO resulted in the synthesis of the thicker mean nanotubes diameter. However, for both applied catalytic systems the reduction of the diameter distribution of the tubes and the increase of relative purity of the samples upon the growth time increase were detected.

Spin-exchange interaction between transition metals and metalloids in soft-ferromagnetic metallic glasses

Science.gov (United States)

Das, Santanu; Choudhary, Kamal; Chernatynskiy, Aleksandr; Choi Yim, Haein; Bandyopadhyay, Asis K.; Mukherjee, Sundeep

2016-06-01

High-performance magnetic materials have immense industrial and scientific importance in wide-ranging electronic, electromechanical, and medical device technologies. Metallic glasses with a fully amorphous structure are particularly suited for advanced soft-magnetic applications. However, fundamental scientific understanding is lacking for the spin-exchange interaction between metal and metalloid atoms, which typically constitute a metallic glass. Using an integrated experimental and molecular dynamics approach, we demonstrate the mechanism of electron interaction between transition metals and metalloids. Spin-exchange interactions were investigated for a Fe-Co metallic glass system of composition [(Co1-x Fe x )0.75B0.2Si0.05]96Cr4. The saturation magnetization increased with higher Fe concentration, but the trend significantly deviated from simple rule of mixtures. Ab initio molecular dynamics simulation was used to identify the ferromagnetic/anti-ferromagnetic interaction between the transition metals and metalloids. The overlapping band-structure and density of states represent ‘Stoner type’ magnetization for the amorphous alloys in contrast to ‘Heisenberg type’ in crystalline iron. The enhancement of magnetization by increasing iron was attributed to the interaction between Fe 3d and B 2p bands, which was further validated by valence-band study.

Peroxidase-Mimicking Nanozyme with Enhanced Activity and High Stability Based on Metal-Support Interactions.

Science.gov (United States)

Li, Zhihao; Yang, Xiangdong; Yang, Yanbing; Tan, Yaning; He, Yue; Liu, Meng; Liu, Xinwen; Yuan, Quan

2018-01-09

Peroxidase-mimicking nanozymes offer unique advantages in terms of high stability and low cost over natural peroxidase for applications in bioanalysis, biomedicine, and the treatment of pollution. However, the design of high-efficiency peroxidase-mimicking nanozymes remains a great challenge. In this study, we adopted a structural-design approach through hybridization of cube-CeO 2 and Pt nanoparticles to create a new peroxidase-mimicking nanozyme with high efficiency and excellent stability. Relative to pure cube-CeO 2 and Pt nanoparticles, the as-hybridized Pt/cube-CeO 2 nanocomposites display much improved activities because of the strong metal-support interaction. Meanwhile, the nanocomposites also maintain high catalytic activity after long-term storage and multiple recycling. Based on their excellent properties, Pt/cube-CeO 2 nanocomposites were used to construct high-performance colorimetric biosensors for the sensitive detection of metabolites, including H 2 O 2 and glucose. Our findings highlight opportunities for the development of high-efficiency peroxidase-mimicking nanozymes with potential applications such as diagnostics, biomedicine, and the treatment of pollution. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Metal-Controlled Magnetoresistance at Room Temperature in Single-Molecule Devices.

Science.gov (United States)

Aragonès, Albert C; Aravena, Daniel; Valverde-Muñoz, Francisco J; Real, José Antonio; Sanz, Fausto; Díez-Pérez, Ismael; Ruiz, Eliseo

2017-04-26

The appropriate choice of the transition metal complex and metal surface electronic structure opens the possibility to control the spin of the charge carriers through the resulting hybrid molecule/metal spinterface in a single-molecule electrical contact at room temperature. The single-molecule conductance of a Au/molecule/Ni junction can be switched by flipping the magnetization direction of the ferromagnetic electrode. The requirements of the molecule include not just the presence of unpaired electrons: the electronic configuration of the metal center has to provide occupied or empty orbitals that strongly interact with the junction metal electrodes and that are close in energy to their Fermi levels for one of the electronic spins only. The key ingredient for the metal surface is to provide an efficient spin texture induced by the spin-orbit coupling in the topological surface states that results in an efficient spin-dependent interaction with the orbitals of the molecule. The strong magnetoresistance effect found in this kind of single-molecule wire opens a new approach for the design of room-temperature nanoscale devices based on spin-polarized currents controlled at molecular level.

Activation volume and interaction of metal particulate media

Energy Technology Data Exchange (ETDEWEB)

Tetsukawa, Hiroki [Sony Corporation, 6-7-35 Kitashinagawa, Shinagawa-ku, Tokyo 141-0001 (Japan)]. E-mail: tetsukaw@arc.sony.co.jp; Kondo, Hirofumi [Sony Corporation, 6-7-35 Kitashinagawa, Shinagawa-ku, Tokyo 141-0001 (Japan)

2005-09-15

We have investigated the activation volume (V{sub ac}) and magnetostatic interaction of metal particulate (MP) media. The activation volume of MP media decreases with the decrease of physical volume (V{sub phy}) of metal particles. The activation volume and the ratio of V{sub phy}/V{sub ac} of advanced metal particles are 6x10{sup -24}m{sup 3} and 1.5, respectively. It can be predicted that the physical volume of metal particle is about 3x10{sup -24}m{sup 3} when the physical volume is equal to the activation volume. This value is agreement with the practical lower limit of physical volume of metal particle predicted by Sharrock. The negative interaction (demagnetization effect) in MP media decreases with low saturation magnetization of the metal particles, a thin magnetic layer, a high orientation of MP media, and a low packing fraction of metal particles in the MP media. The activation volume of the MP media decreased as the negative interactions decreased. In advanced MP media with low M{sub r}.t (M{sub r}=remanent magnetization and t=thickness), the influence of interaction on the activation volume is reduced.

Activation volume and interaction of metal particulate media

International Nuclear Information System (INIS)

Tetsukawa, Hiroki; Kondo, Hirofumi

2005-01-01

We have investigated the activation volume (V ac ) and magnetostatic interaction of metal particulate (MP) media. The activation volume of MP media decreases with the decrease of physical volume (V phy ) of metal particles. The activation volume and the ratio of V phy /V ac of advanced metal particles are 6x10 -24 m 3 and 1.5, respectively. It can be predicted that the physical volume of metal particle is about 3x10 -24 m 3 when the physical volume is equal to the activation volume. This value is agreement with the practical lower limit of physical volume of metal particle predicted by Sharrock. The negative interaction (demagnetization effect) in MP media decreases with low saturation magnetization of the metal particles, a thin magnetic layer, a high orientation of MP media, and a low packing fraction of metal particles in the MP media. The activation volume of the MP media decreased as the negative interactions decreased. In advanced MP media with low M r .t (M r =remanent magnetization and t=thickness), the influence of interaction on the activation volume is reduced

N-Confused Porphyrin Immobilized on Solid Supports: Synthesis and Metal Ions Sensing Efficacy

Directory of Open Access Journals (Sweden)

Sara R. D. Gamelas

2018-04-01

Full Text Available In this work, the N-confused porphyrin 5,10,15,20-tetraphenyl-2-aza-21-carbaporphyrin (NCTPP was immobilized on neutral or cationic supports based on silica and on Merrifield resin. The new materials were characterized by appropriate techniques (UV-Vis spectroscopy, SEM, and zeta potential analysis. Piezoelectric quartz crystal gold electrodes were coated with the different hybrids and their ability to interact with heavy metals was evaluated. The preliminary results obtained showed that the new materials can be explored for metal cations detection and the modification of the material surface is a key factor in tuning the metal selectivity.

Learning to Control Advanced Life Support Systems

Science.gov (United States)

Subramanian, Devika

2004-01-01

Advanced life support systems have many interacting processes and limited resources. Controlling and optimizing advanced life support systems presents unique challenges. In particular, advanced life support systems are nonlinear coupled dynamical systems and it is difficult for humans to take all interactions into account to design an effective control strategy. In this project. we developed several reinforcement learning controllers that actively explore the space of possible control strategies, guided by rewards from a user specified long term objective function. We evaluated these controllers using a discrete event simulation of an advanced life support system. This simulation, called BioSim, designed by Nasa scientists David Kortenkamp and Scott Bell has multiple, interacting life support modules including crew, food production, air revitalization, water recovery, solid waste incineration and power. They are implemented in a consumer/producer relationship in which certain modules produce resources that are consumed by other modules. Stores hold resources between modules. Control of this simulation is via adjusting flows of resources between modules and into/out of stores. We developed adaptive algorithms that control the flow of resources in BioSim. Our learning algorithms discovered several ingenious strategies for maximizing mission length by controlling the air and water recycling systems as well as crop planting schedules. By exploiting non-linearities in the overall system dynamics, the learned controllers easily out- performed controllers written by human experts. In sum, we accomplished three goals. We (1) developed foundations for learning models of coupled dynamical systems by active exploration of the state space, (2) developed and tested algorithms that learn to efficiently control air and water recycling processes as well as crop scheduling in Biosim, and (3) developed an understanding of the role machine learning in designing control systems for

Manufacture of highly loaded silica-supported cobalt Fischer–Tropsch catalysts from a metal organic framework

KAUST Repository

Sun, Xiaohui; Suarez, Alma I. Olivos; Meijerink, Mark; van Deelen, Tom; Ould-Chikh, Samy; Zečević, Jovana; de Jong, Krijn P.; Kapteijn, Freek; Gascon, Jorge

2017-01-01

The development of synthetic protocols for the preparation of highly loaded metal nanoparticle-supported catalysts has received a great deal of attention over the last few decades. Independently controlling metal loading, nanoparticle size

Reactivity of transition metal atoms supported or not on TiO2(110) toward CO and H adsorption

KAUST Repository

Helali, Zeineb

2015-04-01

Following our strategy to analyze the metal–support interaction, we present periodic DFT calculations for adsorption of metal atoms on a perfect rutile TiO2(110) surface (at low coverage, θ = 1/3) to investigate the interaction of an individual metal atom, M, with TiO2 and its consequence on the coadsorption of H and CO over M/TiO2. M under investigation varies in a systematic way from K to Zn. It is found that the presence of the support decreases or increases the strength of M–H or M–CO interaction according to the nature of M. The site of the adsorption for H and the formation of HCO/M also depend on M. From the left- to the right-hand side of the period, C and O both interact while O progressively detaches from M. On the contrary, for M = Fe–Cu, CO dissociation is more likely to happen. For CO and H coadsorption, two extreme cases emerge: For Ni, the hydrogen adsorbed should easily move on the support and CO dissociation is more likely. For Ti or Sc, H is easily coadsorbed with CO on the metal and CO hydrogenation could be the initial step. © 2015, Springer-Verlag Berlin Heidelberg.

Fundamental Studies of the Reforming of Oxygenated Compounds over Supported Metal Catalysts

Energy Technology Data Exchange (ETDEWEB)

Dumesic, James A. [Univ. of Wisconsin, Madison, WI (United States)

2016-01-04

The main objective of our research has been to elucidate fundamental concepts associated with controlling the activity, selectivity, and stability of bifunctional, metal-based heterogeneous catalysts for tandem reactions, such as liquid-phase conversion of oxygenated hydrocarbons derived from biomass. We have shown that bimetallic catalysts that combine a highly-reducible metal (e.g., platinum) with an oxygen-containing metal promoter (e.g., molybdenum) are promising materials for conversion of oxygenated hydrocarbons because of their high activity for selective cleavage for carbon-oxygen bonds. We have developed methods to stabilize metal nanoparticles against leaching and sintering under liquid-phase reaction conditions by using atomic layer deposition (ALD) to apply oxide overcoat layers. We have used controlled surface reactions to produce bimetallic catalysts with controlled particle size and controlled composition, with an important application being the selective conversion of biomass-derived molecules. The synthesis of catalysts by traditional methods may produce a wide distribution of metal particle sizes and compositions; and thus, results from spectroscopic and reactions kinetics measurements have contributions from a distribution of active sites, making it difficult to assess how the size and composition of the metal particles affect the nature of the surface, the active sites, and the catalytic behavior. Thus, we have developed methods to synthesize bimetallic nanoparticles with controlled particle size and controlled composition to achieve an effective link between characterization and reactivity, and between theory and experiment. We have also used ALD to modify supported metal catalysts by addition of promoters with atomic-level precision, to produce new bifunctional sites for selective catalytic transformations. We have used a variety of techniques to characterize the metal nanoparticles in our catalysts, including scanning transmission electron

Long-range interactions among three alkali-metal atoms

International Nuclear Information System (INIS)

Marinescu, M.; Starace, A.F.

1996-01-01

The long-range asymptotic form of the interaction potential surface for three neutral alkali-metal atoms in their ground states may be expressed as an expansion in inverse powers of inter-nuclear distances. The first leading powers are proportional to the dispersion coefficients for pairwise atomic interactions. They are followed by a term responsible for a three body dipole interaction. The authors results consist in evaluation of the three body dipole interaction coefficient between three alkali-metal atoms. The generalization to long-range n atom interaction terms will be discussed qualitatively

High surface area graphene-supported metal chalcogenide assembly

Science.gov (United States)

Worsley, Marcus A.; Kuntz, Joshua D.; Orme, Christine A.

2017-04-25

Disclosed here is a method for hydrocarbon conversion, comprising contacting at least one graphene-supported assembly with at least one hydrocarbon feedstock, wherein the graphene-supported assembly comprises (i) a three-dimensional network of graphene sheets crosslinked by covalent carbon bonds and (ii) at least one metal chalcogenide compound disposed on the graphene sheets, wherein the chalcogen of the metal chalcogenide compound is selected from S, Se and Te, and wherein the metal chalcogenide compound accounts for at least 20 wt. % of the graphene-supported assembly.

Ammonia nanotubes and their interactions with coinage metals

Energy Technology Data Exchange (ETDEWEB)

Mohajeri, Afshan, E-mail: amohajeri@shirazu.ac.ir; Bozorgizadeh, Tahereh

2014-09-30

Highlights: • The possibility of building ammonia nanotubes (ANTs) is explored. • Six ANTs formed by the stacks of 4- and 5-membered ammonia rings have been studied. • The interactions between the ANTs and coinage metals are investigated. • The nature of nitrogen–metal bonds is unveiled by quantum chemical approaches. - Abstract: The hydrogen bond networks of finite ammonia molecules are considered to explore the possibility of building ammonia nanotubes (ANTs). Six ANTs formed by the stacks of 4- and 5-membered ammonia rings have been studied. The calculated stabilization energies indicate considerable stability for ANTs. In the second part, the interactions between the constructed ANTs and coinage metals (M = Cu, Ag, and Au) are investigated with a focus on the nature of nitrogen…metal bonds. The changes in binding energies from copper to gold reveal that the three metals have almost similar tendency for the interaction with ANTs and the interaction strength is governed by the structure of ANT. Furthermore, the electronic and structural properties of the resulting complexes have been unveiled by means of the quantum chemical analyses. The N…M bonds are found to have partially covalent and partially electrostatic nature.

Supporting collaborative computing and interaction

International Nuclear Information System (INIS)

Agarwal, Deborah; McParland, Charles; Perry, Marcia

2002-01-01

To enable collaboration on the daily tasks involved in scientific research, collaborative frameworks should provide lightweight and ubiquitous components that support a wide variety of interaction modes. We envision a collaborative environment as one that provides a persistent space within which participants can locate each other, exchange synchronous and asynchronous messages, share documents and applications, share workflow, and hold videoconferences. We are developing the Pervasive Collaborative Computing Environment (PCCE) as such an environment. The PCCE will provide integrated tools to support shared computing and task control and monitoring. This paper describes the PCCE and the rationale for its design

Interaction of alkali metal nitrates with calcium carbonate and kyanite

International Nuclear Information System (INIS)

Protsyuk, A.P.; Malakhov, A.I.; Karabanov, V.P.; Lebedeva, L.P.

1978-01-01

Thermographic, thermodynamic and X-ray phase studies have been made into the interaction of alkali metal nitrates with calcium carbonate and kyanite. Examined among other things was the effect of water vapor and carbon dioxide on the interaction between alkali metal nitrates and kyanite. The chemical mechanism of the occurring processes has been established. The interaction with calcium carbonates results in the formation of alkali metal carbonates and calcium oxide with liberation of nitrogen oxide and oxygen. The products of the interaction with kyanite are shown to be identical with the compounds forming when alkali metal carbonates are used

Metal ion interaction with phosphorylated tyrosine analogue monolayers on gold.

Science.gov (United States)

Petoral, Rodrigo M; Björefors, Fredrik; Uvdal, Kajsa

2006-11-23

Phosphorylated tyrosine analogue molecules (pTyr-PT) were assembled onto gold substrates, and the resulting monolayers were used for metal ion interaction studies. The monolayers were characterized by X-ray photoelectron spectroscopy (XPS), infrared reflection-absorption spectroscopy (IRAS), cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS), both prior to and after exposure to metal ions. XPS verified the elemental composition of the molecular adsorbate and the presence of metal ions coordinated to the phosphate groups. Both the angle-dependent XPS and IRAS results were consistent with the change in the structural orientation of the pTyr-PT monolayer upon exposure to metal ions. The differential capacitance of the monolayers upon coordination of the metal ions was evaluated using EIS. These metal ions were found to significantly change the capacitance of the pTyr-PT monolayers in contrast to the nonphosphorylated tyrosine analogue (TPT). CV results showed reduced electrochemical blocking capabilities of the phosphorylated analogue monolayer when exposed to metal ions, supporting the change in the structure of the monolayer observed by XPS and IRAS. The largest change in the structure and interfacial capacitance was observed for aluminum ions, compared to calcium, magnesium, and chromium ions. This type of monolayer shows an excellent capability to coordinate metal ions and has a high potential for use as sensing layers in biochip applications to monitor the presence of metal ions.

Feedback interactions between trace metal nutrients and phytoplankton in the ocean

Directory of Open Access Journals (Sweden)

William eSunda

2012-06-01

Full Text Available In addition to control by major nutrient elements (nitrogen, phosphorus, and silicon the productivity and species composition of marine phytoplankton communities are affected by a number of trace metal nutrients (iron, zinc, cobalt, manganese, copper, and cadmium. Of these, iron exerts the greatest limiting influence on carbon fixation rates and has the greatest effect on algal species diversity. It also plays an important role in limiting di-nitrogen (N2 fixation rates, and thus exerts an important influence on ocean inventories of biologically available fixed nitrogen. Because of these effects, iron is thought to play a key role in controlling the biological cycles of carbon and nitrogen in the ocean, including the biological transfer of carbon to the deep sea, the so-called biological CO2 pump, which helps regulate atmospheric CO2 levels and CO2-linked global warming. Other trace metal nutrients (zinc, cobalt, copper, and manganese have a lesser effect on productivity; but may exert an important influence on the species composition of algal communities because of large differences in metal requirements among algal species. The interactions between trace metals and ocean plankton are reciprocal: not only do the metals affect the plankton, but the plankton regulate the distributions, chemical speciation, and cycling of these metals through cellular uptake and regeneration processes, downward flux of biogenic particles, cellular release of organic chelators, and mediation of redox reactions. This two way interaction has influenced not only the biology and chemistry of the modern ocean, but has had a profound influence on biogeochemistry of the ocean and earth system as a whole, and on the evolution marine and terrestrial biology over geologic history.

Reactivity of transition metal atoms supported or not on TiO2(110) toward CO and H adsorption

KAUST Repository

Helali, Zeineb; Jedidi, Abdesslem; Markovits, Alexis; Minot, Christian; Abderrabba, Manef Ben

2015-01-01

Following our strategy to analyze the metal–support interaction, we present periodic DFT calculations for adsorption of metal atoms on a perfect rutile TiO2(110) surface (at low coverage, θ = 1/3) to investigate the interaction of an individual

Planar metal-supported SOFC with novel cermet anode

DEFF Research Database (Denmark)

Blennow Tullmar, Peter; Hjelm, Johan; Klemensø, Trine

2011-01-01

Metal-supported solid oxide fuel cells are expected to offer several potential advantages over conventional anode (Ni-YSZ) supported cells. For example, increased resistance against mechanical and thermal stresses and a reduction in material costs. When Ni-YSZ based anodes are used in metal suppo...

Interaction between demand-control and social support in the occurrence of common mental disorders.

Science.gov (United States)

Mattos, Amália Ivine Santana; Araújo, Tânia Maria de; Almeida, Maura Maria Guimarães de

2017-05-15

To analyze the interaction between the psychosocial aspects of work and the occurrence of common mental disorders among health workers. This is a cross-sectional study conducted with a representative sample of workers of the primary health care of five municipalities of the State of Bahia, Brazil, in 2012. The variable of outcome were the common mental disorders evaluated by the SRQ-20, and the variables of exposure were high demand (high psychological demand and low control over the work) and low social support in the workplace. Interaction was checked by the deviation of the additivity of the effects for the factors studied from the calculation of excess risk from interaction, proportion of cases attributed to interaction, and the synergy index. The global prevalence of common mental disorders was 21%. The group of combined exposure has shown higher magnitude (high demand and low social support), reaching 28% when compared to the 17% in the situation of no exposure (low demand and high social support). The results strengthen the hypothesis of interaction between the factors investigated, directing to the synergy of the effects. Analisar a interação entre aspectos psicossociais do trabalho e a ocorrência de transtornos mentais comuns entre trabalhadores da saúde. Estudo transversal conduzido em amostra representativa de trabalhadores da atenção básica de cinco municípios da Bahia em 2012. As variáveis desfecho foram os transtornos mentais comuns avaliados pelo SRQ-20, as de exposição foram a alta exigência (alta demanda psicológica e baixo controle sobre o próprio trabalho) e o baixo apoio social no trabalho. A interação foi verificada pelo afastamento da aditividade dos efeitos para fatores estudados a partir do cálculo do excesso de risco devido à interação, proporção de casos atribuída à interação e índice de sinergia. A prevalência global de transtornos mentais comuns foi de 21%. Apresentou maior magnitude no grupo de exposi

Dissolution of Metal Supported Spent Auto Catalysts in Acids

Directory of Open Access Journals (Sweden)

Fornalczyk A.

2016-03-01

Full Text Available Metal supported auto catalysts, have been used in sports and racing cars initially, but nowadays their application systematically increases. In Metal Substrate (supported Converters (MSC, catalytic functions are performed by the Platinum Group Metals (PGM: Pt, Pd, Rh, similarly to the catalysts on ceramic carriers. The contents of these metals make that spent catalytic converters are valuable source of precious metals. All over the world there are many methods for the metals recovery from the ceramic carriers, however, the issue of platinum recovery from metal supported catalysts has not been studied sufficiently yet. The paper presents preliminary results of dissolution of spent automotive catalyst on a metal carrier by means of acids: H2SO4, HCl, HNO3, H3PO4. The main assumption of the research was the dissolution of base metals (Fe, Cr, Al from metallic carrier of catalyst, avoiding dissolution of PGMs. Dissolution was the most effective when concentrated hydrochloric acid, and 2M sulfuric acid (VI was used. It was observed that the dust, remaining after leaching, contained platinum in the level of 0.8% and 0.7%, respectively.

Interactive associations of parental support, demands, and psychological control, over adolescents' beliefs about the legitimacy of parental authority.

Science.gov (United States)

Mellado, Carlos; Cumsille, Patricio; Martínez, M Loreto

2018-04-01

The present study examined the relationship between parental support, demand, psychological control and adolescents' beliefs about the legitimacy of parental authority for personal and multifaceted issues in a sample of 1342 Chilean adolescents (M = 16.38, SD = 1.24, age range 14-20). Results from multiple regression analyses separated by age indicated that demand was positively associated with adolescents' beliefs about the legitimacy of parental authority for personal and multifaceted issues and that psychological control was negatively associated with adolescents' legitimacy beliefs concerning personal issues. Furthermore, parental support moderated the relationship between parental demand and adolescents' beliefs about parental legitimacy for personal and multifaceted issues: those who display high levels of demand showed stronger beliefs about parental legitimacy at high level of support. These results support the interactive effect of parental support and demand on adolescent development. Copyright © 2018. Published by Elsevier Ltd.

Metal-metal interaction mediates the iron induction of Drosophila MtnB

International Nuclear Information System (INIS)

Qiang, Wenjia; Huang, Yunpeng; Wan, Zhihui; Zhou, Bing

2017-01-01

Metallothionein (MT) protein families are a class of small and universal proteins rich in cysteine residues. They are synthesized in response to heavy metal stresses to sequester the toxic ions by metal-thiolate bridges. Five MT family members, namely MtnA, MtnB, MtnC, MtnD and MtnE, have been discovered and identified in Drosophila. These five isoforms of MTs are regulated by metal responsive transcription factor dMTF-1 and play differentiated but overlapping roles in detoxification of metal ions. Previous researches have shown that Drosophila MtnB responds to copper (Cu), cadmium (Cd) and zinc (Zn). Interestingly in this study we found that Drosophila MtnB expression also responds to elevated iron levels in the diet. Further investigations revealed that MtnB plays limited roles in iron detoxification, and the direct binding of MtnB to ferrous iron in vitro is also weak. The induction of MtnB by iron turns out to be mediated by iron interference of other metals, because EDTA at even a partial concentration of that of iron can suppress this induction. Indeed, in the presence of iron, zinc homeostasis is altered, as reflected by expression changes of zinc transporters dZIP1 and dZnT1. Thus, iron-mediated MtnB induction appears resulting from interrupted homeostasis of other metals such as zinc, which in turns induced MtnB expression. Metal-metal interaction may more widely exist than we expected. - Highlights: • Metallothionein B expression is regulated by iron in Drosophila melanogaster. • MtnB has limited physiological roles in iron detoxification. • Binding affinity of MtnB to iron is weak in vitro. • Induction of Drosophila MtnB by iron is mediated indirectly through metal-metal interaction.

He–He and He–metal interactions in transition metals from first-principles

Energy Technology Data Exchange (ETDEWEB)

Zhang, Pengbo, E-mail: zhangpb@dlmu.edu.cn [Department of Physics, Dalian Maritime University, Dalian 116026 (China); Zou, Tingting [Information Science and Technology College, Dalian Maritime University, Dalian 116026 (China); Zhao, Jijun, E-mail: zhaojj@dlut.edu.cn [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China)

2015-12-15

We investigated the atomistic mechanism of He–He and He–metal interactions in bcc transition metals (V, Nb, Ta, Cr, Mo, W, and Fe) using first-principles methods. We calculated formation energy and binding energy of He–He pair as function of distance within the host lattices. The strengths of He–He attraction in Cr, Mo, W, and Fe (0.37–1.11 eV) are significantly stronger than those in V, Nb, and Ta (0.06–0.17 eV). Such strong attractions mean that He atoms would spontaneously aggregate inside perfect Cr, Mo, W, and Fe host lattices in absence of defects like vacancies. The most stable configuration of He–He pair is <100> dumbbell in groups VB metals, whereas it adopts close <110> configuration in Cr, Mo, and Fe, and close <111> configuration in W. Overall speaking, the He–He equilibrium distances of 1.51–1.55 Å in the group VIB metals are shorter than 1.65–1.70 Å in the group VB metals. Moreover, the presence of interstitial He significantly facilitates vacancy formation and this effect is more pronounced in the group VIB metals. The present calculations help understand the He-metal/He–He interaction mechanism and make a prediction that He is easier to form He cluster and bubbles in the groups VIB metals and Fe.

Electrical Control of Metallic Heavy-Metal-Ferromagnet Interfacial States

Science.gov (United States)

Bi, Chong; Sun, Congli; Xu, Meng; Newhouse-Illige, Ty; Voyles, Paul M.; Wang, Weigang

2017-09-01

Voltage-control effects provide an energy-efficient means of tailoring material properties, especially in highly integrated nanoscale devices. However, only insulating and semiconducting systems can be controlled so far. In metallic systems, there is no electric field due to electron screening effects and thus no such control effect exists. Here, we demonstrate that metallic systems can also be controlled electrically through ionic rather than electronic effects. In a Pt /Co structure, the control of the metallic Pt /Co interface can lead to unprecedented control effects on the magnetic properties of the entire structure. Consequently, the magnetization and perpendicular magnetic anisotropy of the Co layer can be independently manipulated to any desired state, the efficient spin toques can be enhanced about 3.5 times, and the switching current can be reduced about one order of magnitude. This ability to control a metallic system may be extended to control other physical phenomena.

Controlling the formation process and atomic structures of single pyrazine molecular junction by tuning the strength of the metal-molecule interaction.

Science.gov (United States)

Kaneko, Satoshi; Takahashi, Ryoji; Fujii, Shintaro; Nishino, Tomoaki; Kiguchi, Manabu

2017-04-12

The formation process and atomic structures were investigated for single pyrazine molecular junctions sandwiched by three different Au, Ag, and Cu electrodes using a mechanically controllable break junction technique in ultrahigh vacuum conditions at 300 K. We demonstrated that the formation process of the single-molecule junction crucially depended on the choice of the metal electrodes. While single-molecule junction showing two distinct conductance states were found for the Au electrodes, only the single conductance state was evident for the Ag electrodes, and there was no junction formation for the Cu electrodes. These results suggested that metal-molecule interaction dominates the formation process and probability of the single-molecule junction. In addition to the metal-molecule interaction, temperature affected the formation process of the single-molecule junction. The single pyrazine molecular junction formed between Au electrodes exhibited significant temperature dependence where the junction-formation probability was about 8% at 300 K, while there was no junction-formation at 100 K. Instead of the junction formation, an Au atomic wire was formed at the low temperature. This study provides insight into the tuning of the junction-forming process for single-molecule junctions, which is needed to construct device structures on a single molecule scale.

Numerical evaluation of micro-structural parameters of porous supports in metal-supported solid oxide fuel cells

DEFF Research Database (Denmark)

Reiss, Georg; Frandsen, Henrik Lund; Brandstätter, Wilhelm

2014-01-01

Metallic supported Solid Oxide Fuel Cells (SOFCs) are considered as a durable and cost effective alternative to the state-of-the-art ceramic supported cell designs. In order to understand the mass and charge transport in the metal-support of this new type of cell a novel technique involving X......-ray tomography and micro-structural modelling is presented in this work. The simulation technique comprises a novel treatment of the boundary conditions, which leads to more accurate effective transport parameters compared to those, which can be achieved with the conventional homogenisation procedures....... Furthermore, the porosity distribution in the metal-support was determined, which provided information about the inhomogeneous nature of the material. In addition to that, transport parameters for two identified, different dense layers of the metal-support are evaluated separately. The results...

Interactions of metals and Apolipoprotein E in Alzheimer’s disease

Directory of Open Access Journals (Sweden)

He eXu

2014-06-01

Full Text Available Alzheimer’s disease (AD is the most common form of dementia, which is characterized by the neuropathological accumulation of extracellular amyloid plaques and intracellular neurofibrillary tangles (NFTs. Clinically, patients will endure a gradual erosion of memory and other higher order cognitive functions. Whilst the underlying etiology of the disease remains to be definitively identified, a body of work has developed over the last two decades demonstrating that AD plasma/serum and brain are characterized by a dyshomeostasis in a number of metal ions. Furthermore, these metals (such as zinc, copper and iron play roles in the regulation of the levels AD-related proteins, including the amyloid precursor protein (APP and tau. It is becoming apparent that metals also interact with other proteins, including apolipoprotein E (ApoE. The Apolipoprotein E gene (APOE is critically associated with AD, with APOE4 representing the strongest genetic risk factor for the development of late-onset AD whereas APOE2 appears to have a protective role. In this review we will summarize the evidence supporting a role for metals in the function of Apolipoprotein E (ApoE and its consequent role in the pathogenesis of AD.

Development of Planar Metal Supported SOFC with Novel Cermet Anode

DEFF Research Database (Denmark)

Blennow Tullmar, Peter; Hjelm, Johan; Klemensø, Trine

2009-01-01

Metal-supported solid oxide fuel cells are expected to offer several potential advantages over conventional anode (Ni-YSZ) supported cells, such as increased resistance against mechanical and thermal stresses and a reduction in materials cost. When Ni-YSZ based anodes are used in metal supported ...

Structure of a Rh/TiO2 catalyst in the strong metal-support interaction state as determined by EXAFS

International Nuclear Information System (INIS)

Koningsberger, D.C.; Martens, J.H.A.; Prins, R.; Short, D.R.; Sayers, D.E.

1986-01-01

Reduction of a highly dispersed 2.85 wt% Rh/TiO 2 catalyst at 473 K after previous calcination at 623 K resulted in EXAFS whose primary contributions are due to nearest rhodium (average coordination number of 3.1 and distance of 2.67 A) and oxygen neighbors (coordination 2.5 and distance 2.71 A). These oxygen neighbors originated at the metal-support interface. The average rhodium-rhodium coordination number did not change in the SMSI state produced by reducing the catalyst at 673 K. However, the average coordination distance contracted by 0.04 A with an accompanying decrease of the Debye-Waller factor of the Rh-Rh bond of 0.0012 A 2 . This is due to the fact that in the SMSI state the surface of the metal particles is not covered with chemisorbed hydrogen. The SMSI state leads to a structural reorganization of the support in the vicinity of the rhodium metal particles. This can be concluded from the appearance of a Rh-Ti bond at 3.42 A in the SMSI state coupled with the fact that the average coordination number of the rhodium-support oxygen bonds does not increase. Other types of rhodium-oxygen bonds could not be detected with EXAFS in this state. Thus, these results provide no evidence for coverage of the metal particle by a suboxide of TiO 2 in the SMSI state

Controlling Thermal Expansion: A Metal?Organic Frameworks Route

OpenAIRE

Balestra, Salvador R. G.; Bueno-Perez, Rocio; Hamad, Said; Dubbeldam, David; Ruiz-Salvador, A. Rabdel; Calero, Sofia

2016-01-01

Controlling thermal expansion is an important, not yet resolved, and challenging problem in materials research. A conceptual design is introduced here, for the first time, for the use of metal?organic frameworks (MOFs) as platforms for controlling thermal expansion devices that can operate in the negative, zero, and positive expansion regimes. A detailed computer simulation study, based on molecular dynamics, is presented to support the targeted application. MOF-5 has been selected as model m...

Job Demands-Control-Support model and employee safety performance.

Science.gov (United States)

Turner, Nick; Stride, Chris B; Carter, Angela J; McCaughey, Deirdre; Carroll, Anthony E

2012-03-01

The aim of this study was to explore whether work characteristics (job demands, job control, social support) comprising Karasek and Theorell's (1990) Job Demands-Control-Support framework predict employee safety performance (safety compliance and safety participation; Neal and Griffin, 2006). We used cross-sectional data of self-reported work characteristics and employee safety performance from 280 healthcare staff (doctors, nurses, and administrative staff) from Emergency Departments of seven hospitals in the United Kingdom. We analyzed these data using a structural equation model that simultaneously regressed safety compliance and safety participation on the main effects of each of the aforementioned work characteristics, their two-way interactions, and the three-way interaction among them, while controlling for demographic, occupational, and organizational characteristics. Social support was positively related to safety compliance, and both job control and the two-way interaction between job control and social support were positively related to safety participation. How work design is related to employee safety performance remains an important area for research and provides insight into how organizations can improve workplace safety. The current findings emphasize the importance of the co-worker in promoting both safety compliance and safety participation. Crown Copyright © 2011. Published by Elsevier Ltd. All rights reserved.

Interaction of hydrogen and oxygen with bulk defects and surfaces of metals

International Nuclear Information System (INIS)

Besenbacher, F.

1994-05-01

The thesis deals with the interaction of hydrogen with defects in metals and the interaction of hydrogen and oxygen with metal surfaces studied by ion-beam techniques and scanning tunneling microscopy (STM), respectively. The first part of the thesis discusses the interaction of hydrogen with simple defects in transition metals. The trap-binding enthalpies and the lattice location of hydrogen trapped to vacancies have been determined, and an extremely simple and versatile picture of the hydrogen-metal interaction has evolved, in which the trap strength is mainly determined by the local electron density. Any dilution of the lattice will lead to a trap, vacancies and voids being the strongest trap. It is found that hydrogen trapped to vacancies in fcc metals is quantum-mechanically delocalized, and the excitation energies for the hydrogen in the vacancy potential are a few MeV only. The interaction of hydrogen with metal surfaces is studied by the transmission channeling (TC) technique. It is found that hydrogen chemisorbs in the highest-coordinated sites on the surfaces, and that there is a direct relationship between the hydrogen-metal bond length and the coordination number for the hydrogen. In the final part of the thesis the dynamics of the chemisorption process for oxygen and hydrogen on metal surfaces is studied by STM, a fascinating and powerful technique for exploring the atomic-scale realm of surfaces. It is found that there is a strong coupling between the chemisorption process and the distortion of the metal surface. The adsorbates induce a surface reconstruction, i.e. metal-metal bond breaks and metal-adsorbate bounds form. Whereas hydrogen interacts weakly with the metals and induces reconstructions where only nnn metals bonds are broken, oxygen interacts strongly with the metal, and the driving force for the O-induced reconstructions appears to be the formation of low-coordinated metal-O rows, formed by breaking of nn metal bonds. Finally it is shown

Metal Phosphate-Supported Pt Catalysts for CO Oxidation

Directory of Open Access Journals (Sweden)

Xiaoshuang Qian

2014-12-01

Full Text Available Oxides (such as SiO2, TiO2, ZrO2, Al2O3, Fe2O3, CeO2 have often been used to prepare supported Pt catalysts for CO oxidation and other reactions, whereas metal phosphate-supported Pt catalysts for CO oxidation were rarely reported. Metal phosphates are a family of metal salts with high thermal stability and acid-base properties. Hydroxyapatite (Ca10(PO46(OH2, denoted as Ca-P-O here also has rich hydroxyls. Here we report a series of metal phosphate-supported Pt (Pt/M-P-O, M = Mg, Al, Ca, Fe, Co, Zn, La catalysts for CO oxidation. Pt/Ca-P-O shows the highest activity. Relevant characterization was conducted using N2 adsorption-desorption, inductively coupled plasma (ICP atomic emission spectroscopy, X-ray diffraction (XRD, transmission electron microscopy (TEM, CO2 temperature-programmed desorption (CO2-TPD, X-ray photoelectron spectroscopy (XPS, and H2 temperature-programmed reduction (H2-TPR. This work furnishes a new catalyst system for CO oxidation and other possible reactions.

Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions.

Science.gov (United States)

Katti, Sachin; Nyenhuis, Sarah B; Her, Bin; Srivastava, Atul K; Taylor, Alexander B; Hart, P John; Cafiso, David S; Igumenova, Tatyana I

2017-06-27

C2 domains are independently folded modules that often target their host proteins to anionic membranes in a Ca 2+ -dependent manner. In these cases, membrane association is triggered by Ca 2+ binding to the negatively charged loop region of the C2 domain. Here, we used a non-native metal ion, Cd 2+ , in lieu of Ca 2+ to gain insight into the contributions made by long-range Coulombic interactions and direct metal ion-lipid bridging to membrane binding. Using X-ray crystallography, NMR, Förster resonance energy transfer, and vesicle cosedimentation assays, we demonstrate that, although Cd 2+ binds to the loop region of C2A/B domains of synaptotagmin 1 with high affinity, long-range Coulombic interactions are too weak to support membrane binding of individual domains. We attribute this behavior to two factors: the stoichiometry of Cd 2+ binding to the loop regions of the C2A and C2B domains and the impaired ability of Cd 2+ to directly coordinate the lipids. In contrast, electron paramagnetic resonance experiments revealed that Cd 2+ does support membrane binding of the C2 domains in full-length synaptotagmin 1, where the high local lipid concentrations that result from membrane tethering can partially compensate for lack of a full complement of divalent metal ions and specific lipid coordination in Cd 2+ -complexed C2A/B domains. Our data suggest that long-range Coulombic interactions alone can drive the initial association of C2A/B with anionic membranes and that Ca 2+ further augments membrane binding by the formation of metal ion-lipid coordination bonds and additional Ca 2+ ion binding to the C2 domain loop regions.

Reactivity of the Bacteria-Water Interface: Linking Nutrient Availability to Bacteria-Metal Interactions

Science.gov (United States)

Fowle, D. A.; Daughney, C. J.; Riley, J. L.

2002-12-01

Identifying and quantifying the controls on metal mobilities in geologic systems is critical in order to understand processes such as global element cycling, metal transport in near-surface water-rock systems, sedimentary diagenesis, and mineral formation. Bacteria are ubiquitous in near-surface water-rock systems, and numerous laboratory and field studies have demonstrated that bacteria can facilitate the formation and dissolution of minerals, and enhance or inhibit contaminant transport. However, despite the growing evidence that bacteria play a key role in many geologic processes in low temperature systems, our understanding of the influence of the local nutrient dynamics of the system of interest on bacteria-metal interactions is limited. Here we present data demonstrating the effectiveness of coupling laboratory experiments with geochemical modeling to isolate the effect of nutrient availability on bacterially mediated proton and metal adsorption reactions. Experimental studies of metal-bacteria interactions were conducted in batch reactors as a function of pH, and solid-solute interactions after growth in a variety of defined and undefined media. Media nutrient composition (C,N,P) was quantified before and after harvesting the cells. Surface complexation models (SCM) for the adsorption reactions were developed by combining sorption data with the results of acid-base titrations, and in some cases zeta potential titrations of the bacterial surface. Our results indicate a clear change in both buffering potential and metal binding capacity of the cell walls of Bacillus subtilis as a function of initial media conditions. Combining current studies with our past studies on the effects of growth phase and others work on temperature dependence on metal adsorption we hope to develop a holistic surface complexation model for quantifying bacterial effects on metal mass transfer in many geologic systems.

THE THEORY OF DEVELOPMENT OF SUPPORTED METAL-COMPLEX CATALYSTS

Directory of Open Access Journals (Sweden)

T. L. Rakitskaya

2015-06-01

Full Text Available Some results of the investigations for the purpose of development of supported metal-complex catalysts for phosphine and carbon monoxide oxidation as well as for ozone decomposition are summarized. The activity of such catalysts has been found to depend not only on a nature of a central atom and ligands but also on a nature of supports. The theoretical model explaining mechanisms of surface complex formation taking into account the influence of physicochemical and structural-adsorption properties of the supports (SiO2, Al2O3, carbon materials, zeolites, dispersed silicas, lamellar aluminosilicates, etc. has been proposed. For quantitative description of the support effect, such a thermodynamic parameter as the adsorbed water activity assignable with the help of water vapor adsorption isotherms has been introduced. Successive stability constants of the surface metal complexes have been calculated by the kinetic method and, hence, compositions and partial catalytic activity of the latter have been determined. Taking into account the competitive adsorption of metal ions on the supports, some schemes of formation of surface bimetallic complexes have been suggested. The compositions of the supported metal-complex catalysts have been optimized to meet requirements of their use in respirators and plants for air purification from foregoing gaseous toxicants.

Effects of halogens on interactions between a reduced TiO{sub 2} (110) surface and noble metal atoms: A DFT study

Energy Technology Data Exchange (ETDEWEB)

Tada, Kohei, E-mail: k-tada@aist.go.jp [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31, Midorigaoka, Ikeda, Osaka, 563-8577 (Japan); Koga, Hiroaki [Element Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo Ohara, Nishikyo, Kyoto, 615-8245 (Japan); Hayashi, Akihide; Kondo, Yudai; Kawakami, Takashi; Yamanaka, Shusuke [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Okumura, Mitsutaka [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Element Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo Ohara, Nishikyo, Kyoto, 615-8245 (Japan)

2017-07-31

Highlights: • We investigated the halogen effect on the interactions of noble metals with TiO{sub 2}. • Halogen atoms inhibit electron transfer from TiO{sub 2} to noble metals. • Iodine stabilizes the adsorption of noble metals especially for Ag and Cu. • Electron transfer from the TiO{sub 2} is effective in anchoring Au and Pt atoms. • Covalent interaction with the support is effective in anchoring Ag and Cu atoms. - Abstract: Using DFT calculation, we investigate the effects of halogens on the interactions between rutile TiO{sub 2} (110) and noble metal atoms (Au, Ag, Cu, Pt, and Pd). Fluorine, chlorine, and bromine atoms occupy the oxygen defect sites of TiO{sub 2}, decreasing the stability of noble metal atoms on the surface. This decrease occurs because the halogens inhibit electron transfer from TiO{sub 2} to the noble metal atoms; the electron transfer from reduced TiO{sub 2} to the noble metal atom stabilizes the noble metal atom adsorption. In contrast, iodine strengthens the interactions between TiO{sub 2} and some noble metal atoms, namely Ag and Cu. This stabilization occurs because of the covalent interaction between iodine-doped TiO{sub 2} and the noble metal atom. Therefore, the stabilization is explained well by chemical hardness. This result suggests that iodine-doping of a TiO{sub 2} surface would be an effective method for the preparation of highly stabilized noble metal clusters.

Molecular metal catalysts on supports: organometallic chemistry meets surface science.

Science.gov (United States)

Serna, Pedro; Gates, Bruce C

2014-08-19

Recent advances in the synthesis and characterization of small, essentially molecular metal complexes and metal clusters on support surfaces have brought new insights to catalysis and point the way to systematic catalyst design. We summarize recent work unraveling effects of key design variables of site-isolated catalysts: the metal, metal nuclearity, support, and other ligands on the metals, also considering catalysts with separate, complementary functions on supports. The catalysts were synthesized with the goal of structural simplicity and uniformity to facilitate incisive characterization. Thus, they are essentially molecular species bonded to porous supports chosen for their high degree of uniformity; the supports are crystalline aluminosilicates (zeolites) and MgO. The catalytic species are synthesized in reactions of organometallic precursors with the support surfaces; the precursors include M(L)2(acetylacetonate)1-2, with M = Ru, Rh, Ir, or Au and the ligands L = C2H4, CO, or CH3. Os3(CO)12 and Ir4(CO)12 are used as precursors of supported metal clusters, and some such catalysts are made by ship-in-a-bottle syntheses to trap the clusters in zeolite cages. The simplicity and uniformity of the supported catalysts facilitate precise structure determinations, even in reactive atmospheres and during catalysis. The methods of characterizing catalysts in reactive atmospheres include infrared (IR), extended X-ray absorption fine structure (EXAFS), X-ray absorption near edge structure (XANES), and nuclear magnetic resonance (NMR) spectroscopies, and complementary methods include density functional theory and atomic-resolution aberration-corrected scanning transmission electron microscopy for imaging of individual metal atoms. IR, NMR, XANES, and microscopy data demonstrate the high degrees of uniformity of well-prepared supported species. The characterizations determine the compositions of surface metal complexes and clusters, including the ligands and the metal-support

TOWARD TUNGSTEN PLASMA-FACING COMPONENTS IN KSTAR: RESEARCH ON PLASMA-METAL WALL INTERACTION

Czech Academy of Sciences Publication Activity Database

Hong, S.-H.; Kim, K.M.; Song, J.-H.; Bang, E.-N.; Kim, H.-T.; Lee, K.-S.; Litnovsky, A.; Hellwig, M.; Seo, D.C.; Lee, H.H.; Kang, C.S.; Lee, H.-Y.; Hong, J.-H.; Bak, J.-G.; Kim, H.-S.; Juhn, J.-W.; Son, S.-H.; Kim, H.-K.; Douai, D.; Grisolia, C.; Wu, J.; Luo, G.-N.; Choe, W.-H.; Komm, Michael; van den Berg, M.; De Temmerman, G.; Pitts, R.

2015-01-01

Roč. 68, č. 1 (2015), s. 36-43 ISSN 1536-1055. [International Conference on Open Magnetic Systems for Plasma Confinement (OS 2014)/10./. Daejeon, 26.08.2014-29.08.2014] Institutional support: RVO:61389021 Keywords : Plasma-metal wall interaction * Tungsten technology Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 0.799, year: 2015 http://dx.doi.org/10.13182/FST14-897

Interactive effects of metal contamination and pathogenic organisms on the introduced marine bivalve Ruditapes philippinarum in European populations

International Nuclear Information System (INIS)

Paul-Pont, Ika; Montaudouin, Xavier de; Gonzalez, Patrice; Jude, Florence; Raymond, Natalie; Paillard, Christine; Baudrimont, Magalie

2010-01-01

In natural environment, marine organisms are concomitantly exposed to pollutants and multiple disease agents resulting in detrimental interactions. The present study evaluated interactive effects of metal contamination (cadmium) and pathogenic organisms (trematode parasites Himasthla elongata and pathogenic bacteria Vibrio tapetis) singularly and in combination on the bivalve Ruditapes philippinarum, an introduced species to Europe, under laboratory controlled conditions. After 7 days, metal bioaccumulation and pathogen load were analyzed as well as metallothionein (MT) response and hemocyte concentrations and activities. Results showed that infection by opportunistic pathogens affects metal accumulation, leading to maximal Cd accumulation in co-infected clams. Among stressors only V. tapetis induced significant effects on immune parameters whereas a particular interaction 'trematode-bacteria' was shown on MT responses. Despite low trematode infection in agreement with the resistant status of R. philippinarum to these macroparasites, significant interaction with bacteria and metal occurred. Such results highlight the necessity of taking pathogens into account in ecotoxicological studies. - Co-infection by opportunistic pathogens affects metal accumulation and some defense-related activities in the Manila clam Ruditapes philippinarum.

Interactive effects of metal contamination and pathogenic organisms on the introduced marine bivalve Ruditapes philippinarum in European populations

Energy Technology Data Exchange (ETDEWEB)

Paul-Pont, Ika, E-mail: i.paulpont@epoc.u-bordeaux1.f [Universite Bordeaux 1, UMR 5805 CNRS, Station Marine d' Arcachon, place du Dr. Peyneau, Arcachon 33120 (France); Montaudouin, Xavier de; Gonzalez, Patrice; Jude, Florence; Raymond, Natalie [Universite Bordeaux 1, UMR 5805 CNRS, Station Marine d' Arcachon, place du Dr. Peyneau, Arcachon 33120 (France); Paillard, Christine [Universite de Bretagne Occidentale-IUEM, LEMAR UMR 6539 CNRS, Place Nicolas Copernic, Technopole Brest Iroise, 29280 Plouzane (France); Baudrimont, Magalie [Universite Bordeaux 1, UMR 5805 CNRS, Station Marine d' Arcachon, place du Dr. Peyneau, Arcachon 33120 (France)

2010-11-15

In natural environment, marine organisms are concomitantly exposed to pollutants and multiple disease agents resulting in detrimental interactions. The present study evaluated interactive effects of metal contamination (cadmium) and pathogenic organisms (trematode parasites Himasthla elongata and pathogenic bacteria Vibrio tapetis) singularly and in combination on the bivalve Ruditapes philippinarum, an introduced species to Europe, under laboratory controlled conditions. After 7 days, metal bioaccumulation and pathogen load were analyzed as well as metallothionein (MT) response and hemocyte concentrations and activities. Results showed that infection by opportunistic pathogens affects metal accumulation, leading to maximal Cd accumulation in co-infected clams. Among stressors only V. tapetis induced significant effects on immune parameters whereas a particular interaction 'trematode-bacteria' was shown on MT responses. Despite low trematode infection in agreement with the resistant status of R. philippinarum to these macroparasites, significant interaction with bacteria and metal occurred. Such results highlight the necessity of taking pathogens into account in ecotoxicological studies. - Co-infection by opportunistic pathogens affects metal accumulation and some defense-related activities in the Manila clam Ruditapes philippinarum.

Quadrupole interaction in zinc metal

International Nuclear Information System (INIS)

Vetterling, W.T.; Pound, R.V.

1977-01-01

To allow measurement of the quadrupole interaction in zinc metal, the enriched ZnO was reduced to zinc metal powder and compressed into a pill of thickness 1.4 gm/cm 2 . Sources were made by diffusing 20 mCi of 67 Ga into sintered copper pills. The transducer was based on a cylinder of PZT-4 with 1 / 2 -inch length and could cover linearly a velocity range of +-100 μ/s at 200 Hz. The multiscalar was a modified Northern model NS600, with a minimum dwell time of 20 μs, and with a 10-count buffer at the input to eliminate deadtime from memory cycling

Interactive influences of bioactive trace metals on biological production in oceanic waters

International Nuclear Information System (INIS)

Bruland, K.W.; Donat, J.R.; Hutchins, D.A.

1991-01-01

The authors present an overview of the oceanic chemistries of the bioactive trace metals, Mn, Fe, Co, Ni, Cu, and Zn; the authors combine field data with results from laboratory phytoplankton culture-trace metal studies and speculate on the potential influences of these trace metals on oceanic plankton production and species composition. Most field studies have focused on the effects of single metals. However, they propose that synergistic and antagonistic interactions between multiple trace metals could be very important in the oceans. Trace metal antagonisms that may prove particularly important are those between Cu and the potential biolimiting metals Fe, Mn, and Zn. These antagonistic interactions could have the greatest influence on biological productivity in areas of the open ocean isolated from terrestrial inputs, such as the remote high nutrient regions of the Pacific and Antarctic Oceans. The emerging picture of trace metal-biota interactions in these oceanic areas is one in which biology strongly influences distribution and chemical speciation of all these bioactive trace metals. It also seems likely that many of these bioactive trace metals and their speciation may influence levels of primary productivity, species composition, and trophic structure. Future investigations should give more complete consideration to the interactive effects of biologically important trace metals

Interaction of terbium group metal oxides with carbon

International Nuclear Information System (INIS)

Vodop'yanov, A.G.; Baranov, S.V.; Kozhevnikov, G.N.

1990-01-01

Mechanism of carbothermal reduction of terbium group metals from oxides is investigated using thermodynamic and kinetic analyses. Interaction of metal oxides with carbon covers dissociation of metal oxides and reduction by carbon monoxide, which contribution into general reduction depends on CO pressure. Temperatures of reaction beginning for batch initial components at P=1.3x10 -4 and P CO =0.1 MPa and of formation of oxycarbide melts are determined

Asperity interaction in adhesive contact of metallic rough surfaces

International Nuclear Information System (INIS)

Sahoo, Prasanta; Banerjee, Atanu

2005-01-01

The analysis of adhesive contact of metallic rough surfaces considering the effect of asperity interaction is the subject of this investigation. The micro-contact model of asperity interactions developed by Zhao and Chang (2001 Trans. ASME: J. Tribol. 123 857-64) is combined with the elastic plastic adhesive contact model developed by Chang et al (1988 Trans. ASME: J. Tribol. 110 50-6) to consider the asperity interaction and elastic-plastic deformation in the presence of surface forces simultaneously. The well-established elastic adhesion index and plasticity index are used to consider the different contact conditions. Results show that asperity interaction influences the load-separation behaviour in elastic-plastic adhesive contact of metallic rough surfaces significantly and, in general, adhesion is reduced due to asperity interactions

[Novel Hyphenated Techniques of Atomic Spectrometry for Metal Species Interaction with Biomolecules].

Science.gov (United States)

Li, Yan; Yan, Xiu-ping

2015-09-01

Trace metals may be adopted by biological systems to assist in the syntheses and metabolic functions of genes (DNA and RNA) and proteins in the environment. These metals may be beneficial or may pose a risk to humans and other life forms. Novel hybrid techniques are required for studies on the interaction between different metal species and biomolecules, which is significant for biology, biochemistry, nutrition, agriculture, medicine, pharmacy, and environmental science. In recent years, our group dwells on new hyphenated techniques based on capillary electrophoresis (CE), electrothermal atomic absorption spectrometry (ETAAS), and inductively coupled plasma mass spectroscopy (ICP-MS), and their application for different metal species interaction with biomolecules such as DNA, HSA, and GSH. The CE-ETAAS assay and CE-ICP-MS assay allow sensitively probing the level of biomolecules such as DNA damage by different metal species and extracting the kinetic and thermodynamic information on the interactions of different metal species with biomolecules, provides direct evidences for the formation of different metal species--biomolecule adducts. In addition, the consequent structural information were extracted from circular dichroism (CD) and X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and Fourier transform infrared (FTIR) spectroscopy. The present works represent the most complete and extensive study to date on the interactions between different metal species with biomolecules, and also provide new evidences for and insights into the interactions of different metal species with biomolecules for further understanding of the toxicological effects of metal species.

Long-range interactions between excited helium and alkali-metal atoms

KAUST Repository

Zhang, J.-Y.

2012-12-03

The dispersion coefficients for the long-range interaction of the first four excited states of He, i.e., He(2 1,3S) and He(2 1,3P), with the low-lying states of the alkali-metal atoms Li, Na, K, and Rb are calculated by summing over the reduced matrix elements of the multipole transition operators. For the interaction between He and Li the uncertainty of the calculations is 0.1–0.5%. For interactions with other alkali-metal atoms the uncertainty is 1–3% in the coefficient C5, 1–5% in the coefficient C6, and 1–10% in the coefficients C8 and C10. The dispersion coefficients Cn for the interaction of He(2 1,3S) and He(2 1,3P) with the ground-state alkali-metal atoms and for the interaction of He(2 1,3S) with the alkali-metal atoms in their first 2P states are presented in this Brief Report. The coefficients for other pairs of atomic states are listed in the Supplemental Material.

Design analysis of liquid metal pipe supports

International Nuclear Information System (INIS)

Margolin, L.L.; LaSalle, F.R.

1979-02-01

Design guidelines pertinent to liquid metal pipe supports are presented. The numerous complex conditions affecting the support stiffness and strength are addressed in detail. Topics covered include modeling of supports for natural frequency and stiffness calculations, support hardware components, formulas for deflection due to torsion, plate bending, and out-of-plane flexibility. A sample analysis and a discussion on stress analysis of supports are included. Also presented are recommendations for design improvements for increasing the stiffness of pipe supports and which were utilized in the FFTF system

Gradient composite metal-ceramic foam as supportive component for planar SOFCs and MIEC membranes

International Nuclear Information System (INIS)

Smorygo, Oleg; Mikutski, Vitali; Marukovich, Alexander; Sadykov, Vladislav; Usoltsev, Vladimir; Mezentseva, Natalia; Borodinecs, Anatolijs; Bobrenok, Oleg

2011-01-01

A novel approach to the design of planar gradient porous supports for the thin-film SOFCs and MIEC membranes is described. The support's thermal expansion is controlled by the creation of a two-component composite metal-ceramic foam structure. Thin MIEC membranes and SOFCs were prepared on the composite supports by the layerwise deposition of composite functional layers including complex fluorites and perovskites. Lab-scale studies demonstrated promising performance of both MIEC membrane and SOFC.

Gradient composite metal-ceramic foam as supportive component for planar SOFCs and MIEC membranes

Science.gov (United States)

Smorygo, Oleg; Mikutski, Vitali; Marukovich, Alexander; Sadykov, Vladislav; Usoltsev, Vladimir; Mezentseva, Natalia; Borodinecs, Anatolijs; Bobrenok, Oleg

2011-06-01

A novel approach to the design of planar gradient porous supports for the thin-film SOFCs and MIEC membranes is described. The support's thermal expansion is controlled by the creation of a two-component composite metal-ceramic foam structure. Thin MIEC membranes and SOFCs were prepared on the composite supports by the layerwise deposition of composite functional layers including complex fluorites and perovskites. Lab-scale studies demonstrated promising performance of both MIEC membrane and SOFC.

Interactions of hydrogen isotopes and oxides with metal tubes

International Nuclear Information System (INIS)

Longhurst, G. R.; Cleaver, J.

2008-01-01

Understanding and accounting for interaction of hydrogen isotopes and their oxides with metal surfaces is important for persons working with tritium systems. Reported data from several investigators have shown that the processes of oxidation, adsorption, absorption, and permeation are all coupled and interactive. A computer model has been developed for predicting the interaction of hydrogen isotopes and their corresponding oxides in a flowing carrier gas stream with the walls of a metallic tube, particularly at low hydrogen concentrations. An experiment has been constructed to validate the predictive model. Predictions from modeling lead to unexpected experiment results. (authors)

Interactions of hydrogen isotopes and oxides with metal tubes

Energy Technology Data Exchange (ETDEWEB)

Longhurst, G. R. [Idaho National Laboratory, P.O. Box 1625, Idaho Falls, ID 83415-3860 (United States); Cleaver, J. [Idaho State Univ., 921 South 8th Avenue, Pocatello, ID 83201 (United States)

2008-07-15

Understanding and accounting for interaction of hydrogen isotopes and their oxides with metal surfaces is important for persons working with tritium systems. Reported data from several investigators have shown that the processes of oxidation, adsorption, absorption, and permeation are all coupled and interactive. A computer model has been developed for predicting the interaction of hydrogen isotopes and their corresponding oxides in a flowing carrier gas stream with the walls of a metallic tube, particularly at low hydrogen concentrations. An experiment has been constructed to validate the predictive model. Predictions from modeling lead to unexpected experiment results. (authors)

Interactions of Hydrogen Isotopes and Oxides with Metal Tubes

International Nuclear Information System (INIS)

Longhurst, Glen R.

2008-01-01

Understanding and accounting for interaction of hydrogen isotopes and their oxides with metal surfaces is important for persons working with tritium systems. Reported data from several investigators have shown that the processes of oxidation, adsorption, absorption, and permeation are all coupled and interactive. A computer model has been developed for predicting the interaction of hydrogen isotopes and their corresponding oxides in a flowing carrier gas stream with the walls of a metallic tube, particularly at low hydrogen concentrations. An experiment has been constructed to validate the predictive model. Predictions from modeling lead to unexpected experiment results

Oxide-supported metal clusters: models for heterogeneous catalysts

International Nuclear Information System (INIS)

Santra, A K; Goodman, D W

2003-01-01

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

Synthesis of Single-Walled Carbon Nanotubes: Effects of Active Metals, Catalyst Supports, and Metal Loading Percentage

Directory of Open Access Journals (Sweden)

Wei-Wen Liu

2013-01-01

Full Text Available The effects of active metals, catalyst supports, and metal loading percentage on the formation of single-walled carbon nanotubes (SWNTs were studied. In particular, iron, cobalt, and nickel were investigated for SWNTs synthesis. Iron was found to grow better-quality SWNTs compared to cobalt and nickel. To study the effect of catalyst supports, magnesium oxide, silicon oxide, and aluminium oxide were chosen for iron. Among the studied supports, MgO was identified to be a suitable support for iron as it produced SWNTs with better graphitisation determined by Raman analysis. Increasing the iron loading decreased the quality of SWNTs due to extensive agglomeration of the iron particles. Thus, lower metal loading percentage is preferred to grow better-quality SWNTs with uniform diameters.

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

Science.gov (United States)

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

2009-05-27

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

Interaction of Human Serum Albumin with Metal Protoporphyrins

Science.gov (United States)

Hu, Jie; Brancaleon, Lorenzo

2015-03-01

Fluorescence spectroscopy is widely used in biotechnology, nanotechnology, and molecular biophysics, since it can provide information on a wide range of molecular processes, e.g. the interactions of solvent molecules with fluorophores, conformational changes, and binding interactions etc. In this study, we present the photophysical properties of the interaction of human serum albumin (HSA) with a series of metal compound of Protoporphyrin IX (PPIX), including ZnPPIX, FePPIX, MgPPIX, MnPPIX and SnPPIX respectively, as well as the free base PPIX. Binding constants were retrieved independently using the Benesi-Hildebrand analysis of the porphyrin emission or absorption spectra and the fluorescence quenching (i.e. Stern-Volmer analysis) and reveal that the two methods yield a difference of approximately one order or magnitude between the two. Fluorescence lifetimes was used to probe whether binding of the porphyrin changes the conformation of the protein or if the interaction places the porphyrin at a location that can prompt resonance energy transfer with the lone Tryptophan residue. In recent years it has been discovered that HSA provides a specific binding site for metal-chelated protoporphyrins in subdomain IA. This has opened a novel field of study over the importance of this site for biomedical applications but it has also created the potential for a series of biotechnological applications of the HSA/protoporphyrin complexes. Our study provides a preliminary investigation of the interaction with metal-chelated protoporphyrins that had not been previously investigated.

Deterministic Model for Rubber-Metal Contact Including the Interaction Between Asperities

NARCIS (Netherlands)

Deladi, E.L.; de Rooij, M.B.; Schipper, D.J.

2005-01-01

Rubber-metal contact involves relatively large deformations and large real contact areas compared to metal-metal contact. Here, a deterministic model is proposed for the contact between rubber and metal surfaces, which takes into account the interaction between neighboring asperities. In this model,

Long-range interactions between excited helium and alkali-metal atoms

KAUST Repository

Zhang, J.-Y.; Schwingenschlö gl, Udo; Shi, T.-Y.; Tang, L.-Y.; Yan, Z.-C.

2012-01-01

–5% in the coefficient C6, and 1–10% in the coefficients C8 and C10. The dispersion coefficients Cn for the interaction of He(2 1,3S) and He(2 1,3P) with the ground-state alkali-metal atoms and for the interaction of He(2 1,3S) with the alkali-metal atoms in their first

Closed metal supports

Energy Technology Data Exchange (ETDEWEB)

Dolotov, N P; Afanas' yev, Yu V; Brednev, V A; Nuzhadikhin, A G; Tsiplakov, B V; Uskov, I T

1980-08-30

A closed metal support system that has a specific profile includes roof timber, ledger and roof timber. For convenience of transport, assembly, disassembly and repeated use during operation of an extraction powered system, the uprights in the central part are made sectional and are connected to one another by a hinge for folding into transport position. Longitudinal openings are made at the ends of the uprights in order to provide strength by creating flexibility in the hinged connections. The hinged connections of the sectional uprights have elastic gaskets. For convenience in folding the reinforcement, the ends of the uprights of the roof timber and ledger have the shape of a channel at junctions of their hinged connection.

Graphene-metal interaction and its effect on the interface stability under ambient conditions

Energy Technology Data Exchange (ETDEWEB)

Dong, Aiyi; Fu, Qiang, E-mail: qfu@dicp.ac.cn; Wei, Mingming; Bao, Xinhe

2017-08-01

Highlights: • Graphene (Gr)/transition metal (TM: Fe, Co, Pt, and Au) interfaces form through TM intercalation at Gr/Ru(0001) surface. • Graphene-metal interaction strength follows the order of Ru ≈ Fe ≈ Co > Pt > Au. • Oxygen intercalation occurs at Gr/Fe, Gr/Co, Gr/Pt, and Gr/Ru interfaces but not at Gr/Au interface in air around 100 °C. - Abstract: Interaction between graphene (Gr) and metal plays an important role in physics and chemistry of graphene/metal interfaces. In this work, well-defined interfaces between graphene and transition metals (TMs) including Fe, Co, Pt, and Au were prepared through TM intercalation on Gr/Ru(0001) surface. The Gr-metal interaction was investigated using X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy. We found that graphene interacts most strongly with Ru, Fe and Co and most weakly with Au, following the order of Ru ≈ Fe ≈ Co > Pt > Au. The Gr/Fe, Gr/Co, Gr/Pt, and Gr/Ru interfaces can be readily intercalated by oxygen when exposed to air and illuminated by an infrared lamp. In contrast, oxygen intercalation does not happen at the Gr/Au interface under the same condition. It is suggested that both Gr-metal interaction and oxygen adsorption on the underlying metal surface are critical in the oxygen intercalation and the Gr/metal interface stability.

Critical metal-insulator transition and divergence in a two-particle irreducible vertex in disordered and interacting electron systems

Czech Academy of Sciences Publication Activity Database

Janiš, Václav; Pokorný, Vladislav

2014-01-01

Roč. 90, č. 4 (2014), "045143-1"-"045143-11" ISSN 1098-0121 Institutional support: RVO:68378271 Keywords : metal-insulator transition * disordered and interacting electron systems * dynamical mean-field theory * critical behavior Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

Supporting multiple control systems at Fermilab

Energy Technology Data Exchange (ETDEWEB)

Nicklaus, Dennis J.; /Fermilab

2009-10-01

The Fermilab control system, ACNET, is used for controlling the Tevatron and all of its pre-accelerators. However, other smaller experiments at Fermilab have been using different controls systems, in particular DOOCS and EPICS. This paper reports some of the steps taken at Fermilab to integrate support for these outside systems. We will describe specific tools that we have built or adapted to facilitate interaction between the architectures. We also examine some of the difficulties that arise from managing this heterogeneous environment. Incompatibilities as well as common elements will be described.

Development of Long-Term Stable and High-Performing Metal-Supported SOFCs

DEFF Research Database (Denmark)

Klemensø, Trine; Nielsen, Jimmi; Blennow Tullmar, Peter

2011-01-01

Metal-supported SOFCs are believed to have high potential for commercialization due to lower material costs and higher robustness in fabrication and operation. However, the development of the cell is challenged by the metal properties during fabrication, and the necessary lower operating temperat......Metal-supported SOFCs are believed to have high potential for commercialization due to lower material costs and higher robustness in fabrication and operation. However, the development of the cell is challenged by the metal properties during fabrication, and the necessary lower operating...... temperatures, while retaining both the energy output and the stability. The metal-supported SOFC design developed at Risø DTU has been optimized to an ASR value of 0.62 cm2 at 650 °C, and a steady degradation rate of 1.0% kh-1 demonstrated for 3000 h on a 16 cm2 active cell level. Additional improvement...

An Interaction Measure for Control Configuration Selection for Multivariable Bilinear Systems

DEFF Research Database (Denmark)

Shaker, Hamid Reza; Stoustrup, Jakob

2013-01-01

are needed to be controlled, are nonlinear and linear models are insufficient to describe the behavior of the processes. The focus of this paper is on the problem of control configuration selection for a class of nonlinear systems which is known as bilinear systems. A gramian-based interaction measure...... for control configuration selection of MIMO bilinear processes is described. In general, most of the results on the control configuration selection, which have been proposed so far, can only support linear systems. The proposed gramian-based interaction measure not only supports bilinear processes but also...

Zeolites as supports for transition-metal complexes

Energy Technology Data Exchange (ETDEWEB)

Le Van Mao, R

1979-01-01

The unique structural characteristics of the zeolites, including the presence of molecular-size cages and channels and of an internal electrostatic field, make them promising as supports for converting homogeneous to heterogeneous catalysts. The acidic sites on the zeolites may also contribute to catalysis of reactions, such as hydrocracking; may stabilize metal complexes in a highly disperse state; and may improve activity or selectivity. Recent studies on the synthesis of new types of zeolite-supported complexes of transition metals (TM), such as Co, Cu, Ag, Fe, Mo, Ru, Rh, Re, and Os, suggest the feasibility of the direct introduction of some TM complexes into the zeolitic cages during zeolite synthesis, especially during the crystallization phase. This method may considerably reduce the structural limitations associated with the incorporation of TM complexes into zeolites by conventional methods.

Reduced-graphene-oxide supported tantalum-based electrocatalysts: Controlled nitrogen doping and oxygen reduction reaction

Science.gov (United States)

Yang, Xiaoyun; Mo, Qijie; Guo, Yulin; Chen, Nana; Gao, Qingsheng

2018-03-01

Controlled N-doping is feasible to engineer the surface stoichiometry and the electronic configuration of metal-oxide electrocatalysts toward efficient oxygen reduction reactions (ORR). Taking reduced graphene oxide supported tantalum-oxides (TaOx/RGO) for example, this work illustrated the controlled N-doping in both metal-oxides and carbon supports, and the contribution to the improved ORR activity. The active N-doped TaOx/RGO electrocatalysts were fabricated via SiO2-assisted pyrolysis, in which the amount and kind of N-doping were tailored toward efficient electrocatalysis. The optimal nanocomposites showed a quite positive half-wave potential (0.80 V vs. RHE), the excellent long-term stability, and the outstanding tolerance to methanol crossing. The improvement in ORR was reasonably attributed to the synergy between N-doped TaOx and N-doped RGO. Elucidating the importance of controlled N-doping for electrocatalysis, this work will open up new opportunities to explore noble-metal-free materials for renewable energy applications.

Development of super thin foil metal supported catalyst; Chousuhaku metal tantai shokubai no kaihatsu

Energy Technology Data Exchange (ETDEWEB)

Sanji, F; Takada, T [Toyota Motor Corp., Aichi (Japan)

1997-10-01

In order to improve warm-up performance, high heat resistance and long life durability of catalysts, the reduction of the metal support heat capacity has been focused. The effects of both reducing foil thickness and lowering cell density on low heat capacity have been investigated. As a result of engine bench and vehicle test, it was apparent that the reduction of foil thickness has greater effects. Newly developed 30 {mu} m foil thickness metal supported catalyst has quicker warm-up performance, and its structural durability up to 950degC is confirmed. 3 refs., 11 figs., 1 tab.

Advances in Metal Supported Cells in the METSOFC EU Consortium

DEFF Research Database (Denmark)

McKenna, Brandon J.; Christiansen, Niels; Schauperl, Richard

2012-01-01

Employing a mechanically robust metal support as the structural element in SOFC has been the objective of various development efforts. The EU-sponsored project “METSOFC”, completed at the end of 2011, resulted in a number of advancements towards implementing this strategy. These include robust me...... outcomes of the METSOFC consortium are covered, along with associated work supported by the Danish National Advanced Technology Foundation.......Employing a mechanically robust metal support as the structural element in SOFC has been the objective of various development efforts. The EU-sponsored project “METSOFC”, completed at the end of 2011, resulted in a number of advancements towards implementing this strategy. These include robust...... metal supported cells (MSCs) having low ASR at low temperature, incorporation into small stacks of powers approaching ½kW, and stack tolerance to various operation cycles. DTU Energy Conversion's (formerly Risø DTU) research into planar MSCs has produced an advanced cell design with high performance...

Evaluation of marginal fit of single implant-supported metal-ceramic crowns prepared by using presintered metal blocks.

Science.gov (United States)

Pasali, Baris; Sarac, Duygu; Kaleli, Necati; Sarac, Yakup Sinasi

2018-02-01

Recently, presintered metal blocks for nonprecious and precious metal implant-supported restorations have gained popularity in computer-aided design and computer-aided manufacturing (CAD-CAM) systems. However, few studies have evaluated the marginal discrepancy of implant-supported restorations made with these new alloy systems. The purpose of this in vitro study was to compare the milling-sintering method with the lost-wax and milling methods in terms of the marginal fit of implant-supported metal-ceramic restorations. Thirty implant abutments screwed to implant analogs were embedded into acrylic resin to investigate marginal fit and then divided according to fabrication methods into the following 3 groups (n=10): lost-wax (LW; control group), milling (M), and milling-sintering (MS). Porcelain material was applied to all specimens after completion of the fabrication process. Subsequently, all specimens were cemented to implant abutments for the measurement of marginal discrepancies. Twelve marginal discrepancy measurements were recorded on each implant abutment by using a stereomicroscope. The arithmetic mean of these 12 measurements was considered the mean marginal discrepancy value of each abutment. Data were statistically analyzed by using 1-way ANOVA and Tukey honest significant difference tests (α=.05). The lowest mean marginal discrepancy values (81 ±2 μm) were observed in the M group, which was significantly different (Pmarginal discrepancy values (99 ±2 μm) were observed in the MS group. The results revealed that restorations prepared by the milling-sintering method provided clinically acceptable results (marginal fit. Copyright © 2017 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

A novel smart rotor support with shape memory alloy metal rubber for high temperatures and variable amplitude vibrations

International Nuclear Information System (INIS)

Ma, Yanhong; Zhang, Qicheng; Zhang, Dayi; Hong, Jie; Scarpa, Fabrizio; Liu, Baolong

2014-01-01

The work describes the design, manufacturing and testing of a smart rotor support with shape memory alloy metal rubber (SMA-MR) elements, able to provide variable stiffness and damping characteristics with temperature, motion amplitude and excitation frequency. Differences in damping behavior and nonlinear stiffness between SMA-MR and more traditional metal rubber supports are discussed. The mechanical performance shown by the prototype demonstrates the feasibility of using the SMA-MR concept for active vibration control in rotordynamics, in particular at high temperatures and large amplitude vibrations. (paper)

On the metal-support synergy for selective gas-phase ethanol oxidation over MgCuCr2O4 supported metal nanoparticle catalysts

NARCIS (Netherlands)

Liu, P.; Zhu, X.; Yang, S.; Li, T.; Hensen, E.J.M.

2015-01-01

Achieving high yields in the production of bulk chemicals is an important goal for the chemical industry. We investigated the influence of the metal on the catalytic performance of M/MgCuCr2O4 (M = Cu, Ag, Pd, Pt, Au) catalysts to better understand the metal-support synergy for the aerobic oxidation

Uptake of heavy metals by Typha capensis from wetland sites polluted by effluent from mineral processing plants: implications of metal-metal interactions.

Science.gov (United States)

Zaranyika, M F; Nyati, W

2017-10-01

The aim of the present work was to demonstrate the existence of metal-metal interactions in plants and their implications for the absorption of toxic elements like Cr. Typha capensis , a good accumulator of heavy metals, was chosen for the study. Levels of Fe, Cr, Ni, Cd, Pb, Cu and Zn were determined in the soil and roots, rhizomes, stems and leaves of T. capensis from three Sites A, B and C polluted by effluent from a chrome ore processing plant, a gold ore processing plant, and a nickel ore processing plant, respectively. The levels of Cr were extremely high at Site A at 5415 and 786-16,047 μg g -1 dry weight in the soil and the plant, respectively, while the levels of Ni were high at Site C at 176 and 24-891 μg g -1 in the soil and the plant, respectively. The levels of Fe were high at all three sites at 2502-7500 and 906-13,833 μg g -1 in the soil and plant, respectively. For the rest of the metals, levels were modest at 8.5-148 and 2-264 μg g -1 in the soil and plant, respectively. Pearson's correlation analysis confirmed mutual synergistic metal-metal interactions in the uptake of Zn, Cu, Co, Ni, Fe, and Cr, which are attributed to the similarity in the radii and coordination geometry of the cations of these elements. The implications of such metal-metal interactions (or effects of one metal on the behaviour of another) on the uptake of Cr, a toxic element, and possible Cr detoxification mechanism within the plant, are discussed.

Transition-metal interactions in aluminum-rich intermetallics

International Nuclear Information System (INIS)

Al-Lehyani, Ibrahim; Widom, Mike; Wang, Yang; Moghadam, Nassrin; Stocks, G. Malcolm; Moriarty, John A.

2001-01-01

The extension of the first-principles generalized pseudopotential theory (GPT) to transition-metal (TM) aluminides produces pair and many-body interactions that allow efficient calculations of total energies. In aluminum-rich systems treated at the pair-potential level, one practical limitation is a transition-metal overbinding that creates an unrealistic TM-TM attraction at short separations in the absence of balancing many-body contributions. Even with this limitation, the GPT pair potentials have been used effectively in total-energy calculations for Al-TM systems with TM atoms at separations greater than 4 Aa. An additional potential term may be added for systems with shorter TM atom separations, formally folding repulsive contributions of the three- and higher-body interactions into the pair potentials, resulting in structure-dependent TM-TM potentials. Towards this end, we have performed numerical ab initio total-energy calculations using the Vienna ab initio simulation package for an Al-Co-Ni compound in a particular quasicrystalline approximant structure. The results allow us to fit a short-ranged, many-body correction of the form a(r 0 /r) b to the GPT pair potentials for Co-Co, Co-Ni, and Ni-Ni interactions

Plasmonic hybrid nanostructure with controlled interaction strength

Science.gov (United States)

Grzelak, Justyna K.; Krajnik, Bartosz; Thoreson, Mark D.; Nyga, Piotr; Shalaev, Vladimir M.; Mackowski, Sebastian

2014-03-01

In this report we discuss the influence of plasmon excitations in a silver island film on the fluorescence of photosynthetic complex, peridinin-chlorophyll-protein (PCP). Control of the separation between these two components is obtained by fabricating a wedge layer of silica across the substrate, with a thickness from 0 to 46 nm. Continuous variation of the silica thickness allows for gradual change of interaction strength between plasmon excitations in the metallic film and the excited states of pigments comprising photosynthetic complexes. While the largest separation between the silver film and photosynthetic complexes results in fluorescence featuring a mono-exponential decay and relatively narrow distribution of intensities, the PCP complexes placed on thinner silica spacers show biexponential fluorescence decay and significantly broader distribution of total fluorescence intensities. This broad distribution is a signature of stronger sensitivity of fluorescence enhancement upon actual parameters of a hybrid nanostructure. By gradual change of the silica spacer thickness we are able to reproduce classical distance dependence of fluorescence intensity in plasmonic hybrid nanostructures on ensemble level. Experiments carried out for different excitation wavelengths indicate that the interaction is stronger for excitations resonant with plasmon absorption in the metallic layer.

Spin-rotation interaction of alkali-metal endash He-atom pairs

International Nuclear Information System (INIS)

Walker, T.G.; Thywissen, J.H.; Happer, W.

1997-01-01

A treatment of the spin-rotation coupling between alkali-metal atoms and He atoms is presented. Rotational distortions are accounted for in the wave function using a Coriolis interaction in the rotating frame. The expectation value of the spin-orbit interaction gives values of the spin-rotation coupling that explain previous experimental results. For spin-exchange optical pumping, the results suggest that lighter alkali-metal atoms would be preferred spin-exchange partners, other factors being equal. copyright 1997 The American Physical Society

Defect-impurity interactions in ion-implanted metals

International Nuclear Information System (INIS)

Turos, A.

1986-01-01

An overview of defect-impurity interactions in metals is presented. When point defects become mobile they migrate towards the sinks and on the way can be captured by impurity atoms forming stable associations so-called complexes. In some metallic systems complexes can also be formed athermally during ion implantation by trapping point defects already in the collision cascade. An association of a point defect with an impurity atom leads to its displacement from the lattice site. The structure and stability of complexes are strongly temperature dependent. With increasing temperature they dissociate or grow by multiple defect trapping. The appearance of freely migrating point defects at elevated temperatures, due to ion bombardment or thermal annealing, causes via coupling with defect fluxes, important impurity redistribution. Because of the sensitivity of many metal-in-metal implanted systems to radiation damage the understanding of this processes is essential for a proper interpretation of the lattice occupancy measurements and the optimization of implantation conditions. (author)

Allotropic Carbon Nanoforms as Advanced Metal-Free Catalysts or as Supports

Directory of Open Access Journals (Sweden)

Hermenegildo Garcia

2014-01-01

Full Text Available This perspective paper summarizes the use of three nanostructured carbon allotropes as metal-free catalysts (“carbocatalysts” or as supports of metal nanoparticles. After an introductory section commenting the interest of developing metal-free catalysts and main features of carbon nanoforms, the main body of this paper is focused on exemplifying the opportunities that carbon nanotubes, graphene, and diamond nanoparticles offer to develop advanced catalysts having active sites based on carbon in the absence of transition metals or as large area supports with special morphology and unique properties. The final section provides my personal view on future developments in this field.

Algal-bacterial interactions in metal contaminated floodplain sediments

International Nuclear Information System (INIS)

Boivin, M.E.Y.; Greve, G.D.; Garcia-Meza, J.V.; Massieux, B.; Sprenger, W.; Kraak, M.H.S.; Breure, A.M.; Rutgers, M.; Admiraal, W.

2007-01-01

The aim of the present study was to investigate algal-bacterial interactions in a gradient of metal contaminated natural sediments. By means of multivariate techniques, we related the genetic structure (denaturing gradient gel electrophoresis, DGGE) and the physiological structure (community-level physiological profiling, CLPP) of the bacterial communities to the species composition of the algal communities and to the abiotic environmental variables, including metal contamination. The results revealed that genetic and physiological structure of the bacterial communities correlated with the species composition of the algal community, but hardly to the level of metal pollution. This must be interpreted as an indication for a strong and species-specific linkage of algal and bacterial species in floodplain sediments. Metals were, however, not proven to affect either the algal or the bacterial communities of the Dutch river floodplains. - Algal and bacterial communities in floodplain sediments are interlinked, but are not affected by metal pollution

Creep Behavior of Porous Supports in Metal-support Solid Oxide Fuel Cells

DEFF Research Database (Denmark)

Boccaccini, Dino; Frandsen, Henrik Lund; Blennow Tullmar, Peter

2013-01-01

Creep is the inelastic deformation of a material at high temperatures over long periods of time. It can be defined as timedependent deformation at absolute temperatures greater than one half the absolute melting. Creep resistance is a key parameter for high temperature steel components, e.g. SOFC...... metal supports, where high corrosion resistance is a major design requirement. The four variables affecting creep rate are strain, time, temperature, and stress level and make creep difficult to quantify. In this work, the creep parameters of a SOFC metal support have been determined for the first time...... by means of a thermo mechanical analyzer (TMA) for stresses in the range of 1-17 MPa and temperatures between 650-750 °C. The creep parameters of Crofer® 22 APU were also acquired and compared with values obtained from literature to validate the technique....

Folded plate assemblies with branching column supports : Interaction and control of overall shape

NARCIS (Netherlands)

Falk, A.; Turrin, M.; von Buelow, P.

2010-01-01

The work described in this paper aims at developing the interrelation and overall effects of interaction between a folded plate roof structure and a system of branching column supports. In the context of architectural performance it is of interest to discuss the effects of the material on

Van der Waals interaction between metal and atom

International Nuclear Information System (INIS)

Rao, P.R.; Mukhopadhyay, G.

1984-07-01

A dielectric response approach to the Van der Waals interaction between an atom and a planar metal surface is presented. An exact formula in terms of a form factor is derived within the point dipole approximation and non-retarded limit valid for shorter separation. The interaction potential is studied via SCIB model, and a substantial modification over its classical form is found at shorter distances. (author)

Dynamic interactions of Leidenfrost droplets on liquid metal surface

Science.gov (United States)

Ding, Yujie; Liu, Jing

2016-09-01

Leidenfrost dynamic interaction effects of the isopentane droplets on the surface of heated liquid metal were disclosed. Unlike conventional rigid metal, such conductive and deformable liquid metal surface enables the levitating droplets to demonstrate rather abundant and complex dynamics. The Leidenfrost droplets at different diameters present diverse morphologies and behaviors like rotation and oscillation. Depending on the distance between the evaporating droplets, they attract and repulse each other through the curved surfaces beneath them and their vapor flows. With high boiling point up to 2000 °C, liquid metal offers a unique platform for testing the evaporating properties of a wide variety of liquid even solid.

Catalyst of a metal heteropoly acid salt that is insoluble in a polar solvent on a non-metallic porous support and method of making

Science.gov (United States)

Wang, Yong [Richland, WA; Peden, Charles H. F. [West Richland, WA; Choi, Saemin [Richland, WA

2002-10-29

The present invention includes a catalyst having (a) a non-metallic support having a plurality of pores; (b) a metal heteropoly acid salt that is insoluble in a polar solvent on the non-metallic support; wherein at least a portion of the metal heteropoly acid salt is dispersed within said plurality of pores. The present invention also includes a method of depositing a metal heteropoly acid salt that is insoluble in a polar solvent onto a non-metallic support having a plurality of pores. The method has the steps of: (a) obtaining a first solution containing a first precursor of a metal salt cation; (b) obtaining a second solution containing a second precursor of a heteropoly acid anion in a solvent having a limited dissolution potential for said first precursor; (c) impregnating the non-metallic support with the first precursor forming a first precursor deposit within the plurality of pores, forming a first precursor impregnated support; (d) heating said first precursor impregnated support forming a bonded first precursor impregnated support; (e) impregnating the second precursor that reacts with the precursor deposit and forms the metal heteropoly acid salt.

Manufacture of highly loaded silica-supported cobalt Fischer–Tropsch catalysts from a metal organic framework

KAUST Repository

Sun, Xiaohui

2017-11-16

The development of synthetic protocols for the preparation of highly loaded metal nanoparticle-supported catalysts has received a great deal of attention over the last few decades. Independently controlling metal loading, nanoparticle size, distribution, and accessibility has proven challenging because of the clear interdependence between these crucial performance parameters. Here we present a stepwise methodology that, making use of a cobalt-containing metal organic framework as hard template (ZIF-67), allows addressing this long-standing challenge. Condensation of silica in the Co-metal organic framework pore space followed by pyrolysis and subsequent calcination of these composites renders highly loaded cobalt nanocomposites (~ 50 wt.% Co), with cobalt oxide reducibility in the order of 80% and a good particle dispersion, that exhibit high activity, C5 + selectivity and stability in Fischer-Tropsch synthesis.

Some Case Studies on Metal-Microbe Interactions to Remediate Heavy Metals- Contaminated Soils in Korea

Science.gov (United States)

Chon, Hyo-Taek

2015-04-01

Conventional physicochemical technologies to remediate heavy metals-contaminated soil have many problems such as low efficiency, high cost and occurrence of byproducts. Recently bioremediation technology is getting more and more attention. Bioremediation is defined as the use of biological methods to remediate and/or restore the contaminated land. The objectives of bioremediation are to degrade hazardous organic contaminants and to convert hazardous inorganic contaminants to less toxic compounds of safe levels. The use of bioremediation in the treatment of heavy metals in soils is a relatively new concept. Bioremediation using microbes has been developed to remove toxic heavy metals from contaminated soils in laboratory scale to the contaminated field sites. Recently the application of cost-effective and environment-friendly bioremediation technology to the heavy metals-contaminated sites has been gradually realized in Korea. The merits of bioremediation include low cost, natural process, minimal exposure to the contaminants, and minimum amount of equipment. The limitations of bioremediation are length of remediation, long monitoring time, and, sometimes, toxicity of byproducts for especially organic contaminants. From now on, it is necessary to prove applicability of the technologies to contaminated sites and to establish highly effective, low-cost and easy bioremediation technology. Four categories of metal-microbe interactions are generally biosorption, bioreduction, biomineralization and bioleaching. In this paper, some case studies of the above metal-microbe interactions in author's lab which were published recently in domestic and international journals will be introduced and summarized.

MECHANISMS OF THE COMPLEX FORMATION BY d-METALS ON POROUS SUPPORTS AND THE CATALYTIC ACTIVITY OF THE FORMED COMPLEXES IN REDOX REACTIONS

Directory of Open Access Journals (Sweden)

T. L. Rakitskaya

2015-11-01

Full Text Available The catalytic activity of supported complexes of d metals in redox reactions with participation of gaseous toxicants, PH3, CO, O3, and SO2, depends on their composition. Owing to the variety of physicochemical and structural-adsorption properties of available supports, their influence on complex formation processes, the composition and catalytic activity of metal complexes anchored on them varies over a wide range. The metal complex formation on sup-ports with weak ion-exchanging properties is similar to that in aqueous solutions. In this case, the support role mainly adds up to the ability to reduce the activity of water adsorbed on them. The interaction between a metal complex and a support surface occurs through adsorbed water molecules. Such supports can also affect complex formation processes owing to protolytic reactions on account of acidic properties of sorbents used as supports. The catalytic activity of metal complexes supported on polyphase natural sorbents considerably depends on their phase relationship. In the case of supports with the nonsimple structure and pronounced ion-exchanging properties, for instance, zeolites and laminar silicates, it is necessary to take into account the variety of places where metal ions can be located. Such location places determine distinctions in the coordination environment of the metal ions and the strength of their bonding with surface adsorption sites and, therefore, the catalytic activity of surface complexes formed by theses metal ions. Because of the energy surface inhomogeneity, it is important to determine a relationship between the strength of a metal complex bonding with a support surface and its catalytic activity. For example, bimetallic complexes are catalytically active in the reactions of oxidation of the above gaseous toxicants. In particular, in the case of carbon monoxide oxidation, the most catalytic activity is shown by palladium-copper complexes in which copper(II is strongly

High-power laser-metal interactions in pressurized gaseous atmospheres

Energy Technology Data Exchange (ETDEWEB)

Bitelli, G. [ENEA, Centro Ricerche Frascati, Rome (Italy). Dip. Innovazione; Lugomer, S.; Furic, K.; Ivanda, M. [Ruder Boskovic Institute, Zagreb (Croatia); Stipancic, M. [Electrotechnical faculty, Osijek (Croatia); Stubicar, M. [Faculty of natural sciences and mathematics, Zagreb (Croatia); Gamulin, O. [School of medicine, Univ. of Zagreb, Zagreb (Croatia)

1996-09-01

Metal surfaces were irradiated in pressurized gaseous atmospheres by a CO{sub 2} laser beam. The gaseous pressures ranged from 2 atm to 6 atm, the energy density of the light beam was about 20-50 J/cm{sup 2} with a power density {approx} 10{sup 9} W/cm{sup 2} and a pulse duration p 150 ns. In the above conditions some new effects were observed. The laser-material interaction occurred in a highly absorptive plasma regime, meaning that the metal surface was effectively screened from the beam. The interaction ended either with plasma adiabatic expansion, in the case of Mo (in O{sub 2}), Te (in N{sub 2}) and T{sub i} (in N{sub 2}), or with plasma explosion, in the case of T{sub i} (in O{sub 2}). The metal surface properties were studied by means of optical analysis, microhardness tests, X-ray diffraction and Raman backscattering.

Factors controlling metal fuel lifetime

International Nuclear Information System (INIS)

Porter, D.L.; Hofman, G.L.; Seidel, B.R.; Walters, L.C.

1986-01-01

The reliability of metal fuel elements is determined by a fuel burnup at which a statistically predicted number of fuel breaches would occur, the number of breaches determined by the amount of free fission gas which a particular reactor design can tolerate. The reliability is therefore measured using experimentally determined breach statistics, or by modelling fuel element behavior and those factors which contribute to cladding breach. The factors are fuel/cladding mechanical and chemical interactions, fission gas pressure, fuel phase transformations involving volume changes, and fission product effects on cladding integrity. Experimental data for EBR-II fuel elements has shown that the primary, and perhaps the only significant factor affecting metal fuel reliability, is the pressure-induced stresses caused by fission gas release. Other metal fuel/cladding systems may perform similarly

Ce, Ti modified MCM-48 mesoporous photocatalysts: Effect of the synthesis route on support and metal ion properties

Science.gov (United States)

Mureseanu, Mihaela; Filip, Mihaela; Somacescu, Simona; Baran, Adriana; Carja, Gabriela; Parvulescu, Viorica

2018-06-01

New Ti-MCM-48 and CeTi-MCM-48 photocatalysts were obtained by impregnation of the MCM-48 silica support synthesized by a hydrothermal process with aqueous solution of Ti and Ce precursors. The immobilization of metal cations presented a low effect on the porosity, morphology and structure of MCM-48 mesoporous silica support as was evidenced by N2 adsorption-desorption, X-ray diffraction, SEM and TEM electron microscopy. EDAX analysis and X-ray photoelectron microscopy (XPS) indicated that titanium cations were present on the mesoporous silica surface only as Ti4+ species and the effect of ceria on titanium speciation was different, compared to the CeTi-MCM-48 sample, previously obtained by direct synthesis. The photocatalytic properties of mono- and bimetallic catalysts were evaluated in degradation of phenol from water and correlated with the active metallic species concentration, distribution, speciation and their interaction with the support or each other. An advanced oxidation mechanism for phenol degradation by radical species was proposed.

Mercury (I) nitroprusside: A 2D structure supported on homometallic interactions

Energy Technology Data Exchange (ETDEWEB)

Osiry, H.; Cano, A. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México (Mexico); Reguera, L. [Facultad de Química, Universidad de La Habana (Cuba); Lemus-Santana, A.A. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México (Mexico); Reguera, E., E-mail: edilso.reguera@gmail.com [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México (Mexico)

2015-01-15

The pentacyanonitrosylferrate complex anion, [Fe(CN){sub 5}NO]{sup 2−}, forms an insoluble solid with Hg(I) ion, of formula unit Hg{sub 2}[Fe(CN){sub 5}NO]·2H{sub 2}O, whose crystal structure and related properties are unknown. This contribution reports the preparation of that compound by the precipitation method and its structural study from X-ray powder patterns complemented with spectroscopic information from IR, Raman, and UV–vis techniques. The crystal structure was solved ab initio and then refined using the Rietveld method. The solid crystallizes with a triclinic unit cell, in the P−1 space group, with cell parameters a=10.1202(12), b=10.1000(13), c=7.4704(11) Å; α=110.664(10), β=110.114(10), γ=104.724(8) °. Within the unit cell, two formula units are accommodated (Z=2). It adopts a layered structure related with the coordination of the equatorial CN groups at their N end to the Hg atoms while the axial CN ligand remains unlinked. Within the layers neighboring Hg{sub 2}[Fe(CN){sub 5}NO] building units remain linked through four relatively strong Hg–Hg interactions, with an interatomic distance of 2.549(3) Å. The charge donation from the equatorial CN groups through their 5σ orbitals results into an increase for the electron density on the Hg atoms, which strengths the Hg–Hg bond. In the Raman spectrum, that metal–metal bond is detected as a stretching vibration band at 167 cm{sup −1}. The available free volume between neighboring layers accommodates two water molecules, which are stabilized within the framework through hydrogen bonds with the N end of the unlinked axial CN group. The removal of these weakly bonded water molecules results in structural disorder for the material 3D framework. - Graphical abstract: Assembling of Hg{sub 2}[Fe(CN){sub 5}NO] units through Hg–Hg interactions. - Highlights: • Homometallic Hg–Hg interactions in metal nitroprusside. • 2D structure supported on metal–metal interactions. • Crystal

Control of interlayer physics in 2H transition metal dichalcogenides

Science.gov (United States)

Wang, Kuang-Chung; Stanev, Teodor K.; Valencia, Daniel; Charles, James; Henning, Alex; Sangwan, Vinod K.; Lahiri, Aritra; Mejia, Daniel; Sarangapani, Prasad; Povolotskyi, Michael; Afzalian, Aryan; Maassen, Jesse; Klimeck, Gerhard; Hersam, Mark C.; Lauhon, Lincoln J.; Stern, Nathaniel P.; Kubis, Tillmann

2017-12-01

It is assessed in detail both experimentally and theoretically how the interlayer coupling of transition metal dichalcogenides controls the electronic properties of the respective devices. Gated transition metal dichalcogenide structures show electrons and holes to either localize in individual monolayers, or delocalize beyond multiple layers—depending on the balance between spin-orbit interaction and interlayer hopping. This balance depends on the layer thickness, momentum space symmetry points, and applied gate fields. The design range of this balance, the effective Fermi levels, and all relevant effective masses is analyzed in great detail. A good quantitative agreement of predictions and measurements of the quantum confined Stark effect in gated MoS2 systems unveils intralayer excitons as the major source for the observed photoluminescence.

Monodisperse metal nanoparticle catalysts on silica mesoporous supports: synthesis, characterizations, and catalytic reactions

Energy Technology Data Exchange (ETDEWEB)

Somorjai, G.A.

2009-09-14

The design of high performance catalyst achieving near 100% product selectivity at maximum activity is one of the most important goals in the modern catalytic science research. To this end, the preparation of model catalysts whose catalytic performances can be predicted in a systematic and rational manner is of significant importance, which thereby allows understanding of the molecular ingredients affecting the catalytic performances. We have designed novel 3-dimensional (3D) high surface area model catalysts by the integration of colloidal metal nanoparticles and mesoporous silica supports. Monodisperse colloidal metal NPs with controllable size and shape were synthesized using dendrimers, polymers, or surfactants as the surface stabilizers. The size of Pt, and Rh nanoparticles can be varied from sub 1 nm to 15 nm, while the shape of Pt can be controlled to cube, cuboctahedron, and octahedron. The 3D model catalysts were generated by the incorporation of metal nanoparticles into the pores of mesoporous silica supports via two methods: capillary inclusion (CI) and nanoparticle encapsulation (NE). The former method relies on the sonication-induced inclusion of metal nanoparticles into the pores of mesoporous silica, whereas the latter is performed by the encapsulation of metal nanoparticles during the hydrothermal synthesis of mesoporous silica. The 3D model catalysts were comprehensively characterized by a variety of physical and chemical methods. These catalysts were found to show structure sensitivity in hydrocarbon conversion reactions. The Pt NPs supported on mesoporous SBA-15 silica (Pt/SBA-15) displayed significant particle size sensitivity in ethane hydrogenolysis over the size range of 1-7 nm. The Pt/SBA-15 catalysts also exhibited particle size dependent product selectivity in cyclohexene hydrogenation, crotonaldehyde hydrogenation, and pyrrole hydrogenation. The Rh loaded SBA-15 silica catalyst showed structure sensitivity in CO oxidation reaction. In

Visualizing recommendations to support exploration, transparency and controllability

NARCIS (Netherlands)

Verbert, K.; Parra, D.; Brusilovsky, P.; Duval, E.

2013-01-01

Research on recommender systems has traditionally focused on the development of algorithms to improve accuracy of recommendations. So far, little research has been done to enable user interaction with such systems as a basis to support exploration and control by end users. In this paper, we present

Parental Perceived Control and Social Support: Linkages to Change in Parenting Behaviors During Early Adolescence.

Science.gov (United States)

Lippold, Melissa A; Glatz, Terese; Fosco, Gregory M; Feinberg, Mark E

2018-06-01

Prior studies have found that parents' perceptions of control over their lives and their social support may both be important for parenting behaviors. Yet, few studies have examined their unique and interacting influence on parenting behaviors during early adolescence. This longitudinal study of rural parents in two-parent families (N = 636) investigated (a) whether perceived control and social support when their youth were in sixth grade were independently or interactively associated with changes in parenting behaviors (discipline, standard setting) and parent-child warmth and hostility 6 months later and (b) if these linkages differed by parent gender. We also investigated the interactive links between perceived control, social support, and parenting. Specifically, we tested if parents' perceived control moderated the linkages between social support and parenting and if these linkages differed by parent gender. Greater perceived control predicted more increases in parents' consistent discipline and standard setting, whereas greater social support predicted increases in parent-child warmth and decreases in parent-child hostility. Parental perceived control moderated the effect of social support on parental warmth: For mothers only, social support was significantly linked to parent-child warmth only when mothers had low (but not high) perceived self-control. The discussion focuses on reasons why perceived control and social support may have associations with different aspects of parenting and why these might differ for mothers and fathers. © 2017 Family Process Institute.

Fundamentals of Melt infiltration for the Preparation of Supported Metal Catalysts.The Case of Co/SiO2 Fischer-Tropsch Synthesis

NARCIS (Netherlands)

Eggenhuisen, T.M.|info:eu-repo/dai/nl/313959498; den Breejen, J.P.|info:eu-repo/dai/nl/304837318; Verdoes, D.; de Jongh, P.E.|info:eu-repo/dai/nl/186125372; de Jong, K.P.|info:eu-repo/dai/nl/06885580X

2013-01-01

We explored melt infiltration of mesoporous silica supports to prepare supported metal catalysts with high loadings and controllable particle sizes. Melting of Co(NO3)2 ·6H2O in the presence of silica supports was studied in situ with differential scanning calorimetry. The melting point depression

Interaction of antihypertensive drug amiloride with metal ions in micellar medium using fluorescence spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Gujar, Varsha; Pundge, Vijaykumar; Ottoor, Divya, E-mail: divya@chem.unipune.ac.in

2015-05-15

Steady state and life time fluorescence spectroscopy have been employed to study the interaction of antihypertensive drug amiloride with biologically important metal ions i.e. Cu{sup 2+}, Fe{sup 2+}, Ni{sup 2+} and Zn{sup 2+} in various micellar media (anionic SDS (sodium dodecyl sulfate), nonionic TX-100 (triton X-100) and cationic CTAB (cetyl trimethyl ammonium bromide)). It was observed that fluorescence properties of drug remain unaltered in the absence of micellar media with increasing concentration of metal ions. However, addition of Cu{sup 2+}, Fe{sup 2+} and Ni{sup 2+} caused fluorescence quenching of amiloride in the presence of anionic micelle, SDS. Binding of drug with metal ions at the charged micellar interface could be the possible reason for this pH-dependent metal-mediated fluorescence quenching. There were no remarkable changes observed due to metal ions addition when drug was present in cationic and nonionic micellar medium. The binding constant and bimolecular quenching constant were evaluated and compared for the drug–metal complexes using Stern–Volmer equation and fluorescence lifetime values. - Highlights: • Interaction of amiloride with biologically important metal ions, Fe{sup 2+}, Cu{sup 2+}, Ni{sup 2+} and Zn{sup 2+}. • Monitoring the interaction in various micelle at different pH by fluorescence spectroscopy. • Micelles acts as receptor, amiloride as transducer and metal ions as analyte in the present system. • Interaction study provides pH dependent quenching and binding mechanism of drug with metal ions.

Interaction of antihypertensive drug amiloride with metal ions in micellar medium using fluorescence spectroscopy

International Nuclear Information System (INIS)

Gujar, Varsha; Pundge, Vijaykumar; Ottoor, Divya

2015-01-01

Steady state and life time fluorescence spectroscopy have been employed to study the interaction of antihypertensive drug amiloride with biologically important metal ions i.e. Cu 2+ , Fe 2+ , Ni 2+ and Zn 2+ in various micellar media (anionic SDS (sodium dodecyl sulfate), nonionic TX-100 (triton X-100) and cationic CTAB (cetyl trimethyl ammonium bromide)). It was observed that fluorescence properties of drug remain unaltered in the absence of micellar media with increasing concentration of metal ions. However, addition of Cu 2+ , Fe 2+ and Ni 2+ caused fluorescence quenching of amiloride in the presence of anionic micelle, SDS. Binding of drug with metal ions at the charged micellar interface could be the possible reason for this pH-dependent metal-mediated fluorescence quenching. There were no remarkable changes observed due to metal ions addition when drug was present in cationic and nonionic micellar medium. The binding constant and bimolecular quenching constant were evaluated and compared for the drug–metal complexes using Stern–Volmer equation and fluorescence lifetime values. - Highlights: • Interaction of amiloride with biologically important metal ions, Fe 2+ , Cu 2+ , Ni 2+ and Zn 2+ . • Monitoring the interaction in various micelle at different pH by fluorescence spectroscopy. • Micelles acts as receptor, amiloride as transducer and metal ions as analyte in the present system. • Interaction study provides pH dependent quenching and binding mechanism of drug with metal ions

Graphics-processing-unit-accelerated finite-difference time-domain simulation of the interaction between ultrashort laser pulses and metal nanoparticles

Science.gov (United States)

Nikolskiy, V. P.; Stegailov, V. V.

2018-01-01

Metal nanoparticles (NPs) serve as important tools for many modern technologies. However, the proper microscopic models of the interaction between ultrashort laser pulses and metal NPs are currently not very well developed in many cases. One part of the problem is the description of the warm dense matter that is formed in NPs after intense irradiation. Another part of the problem is the description of the electromagnetic waves around NPs. Description of wave propagation requires the solution of Maxwell’s equations and the finite-difference time-domain (FDTD) method is the classic approach for solving them. There are many commercial and free implementations of FDTD, including the open source software that supports graphics processing unit (GPU) acceleration. In this report we present the results on the FDTD calculations for different cases of the interaction between ultrashort laser pulses and metal nanoparticles. Following our previous results, we analyze the efficiency of the GPU acceleration of the FDTD algorithm.

Response of soil microbial communities and microbial interactions to long-term heavy metal contamination.

Science.gov (United States)

Li, Xiaoqi; Meng, Delong; Li, Juan; Yin, Huaqun; Liu, Hongwei; Liu, Xueduan; Cheng, Cheng; Xiao, Yunhua; Liu, Zhenghua; Yan, Mingli

2017-12-01

Due to the persistence of metals in the ecosystem and their threat to all living organisms, effects of heavy metal on soil microbial communities were widely studied. However, little was known about the interactions among microorganisms in heavy metal-contaminated soils. In the present study, microbial communities in Non (CON), moderately (CL) and severely (CH) contaminated soils were investigated through high-throughput Illumina sequencing of 16s rRNA gene amplicons, and networks were constructed to show the interactions among microbes. Results showed that the microbial community composition was significantly, while the microbial diversity was not significantly affected by heavy metal contamination. Bacteria showed various response to heavy metals. Bacteria that positively correlated with Cd, e.g. Acidobacteria_Gp and Proteobacteria_thiobacillus, had more links between nodes and more positive interactions among microbes in CL- and CH-networks, while bacteria that negatively correlated with Cd, e.g. Longilinea, Gp2 and Gp4 had fewer network links and more negative interactions in CL and CH-networks. Unlike bacteria, members of the archaeal domain, i.e. phyla Crenarchaeota and Euryarchaeota, class Thermoprotei and order Thermoplasmatales showed only positive correlation with Cd and had more network interactions in CH-networks. The present study indicated that (i) the microbial community composition, as well as network interactions was shift to strengthen adaptability of microorganisms to heavy metal contamination, (ii) archaea were resistant to heavy metal contamination and may contribute to the adaption to heavy metals. It was proposed that the contribution might be achieved either by improving environment conditions or by cooperative interactions. Copyright © 2017 Elsevier Ltd. All rights reserved.

Bond of donor-acceptor interaction in metal-ligand system with energies of Fermi electrons

International Nuclear Information System (INIS)

Vlasov, Yu.V.; Khentov, V.Ya.; Velikanova, L.N.; Semchenko, V.V.

1993-01-01

Role of quantum nature of metal (W, Mo and others) in donor-acceptor interaction of metal salicylalaniline - aprotic solvent was discussed. The dependence of dissolution rate and activation energy of donor-acceptor interaction on electron energy was established

Development and use of interactive displays in real-time ground support research facilities

Science.gov (United States)

Rhea, Donald C.; Hammons, Kvin R.; Malone, Jacqueline C.; Nesel, Michael C.

1989-01-01

The NASA Western Aeronautical Test Range (WATR) is one of the world's most advanced aeronautical research flight test support facilities. A variety of advanced and often unique real-time interactive displays has been developed for use in the mission control centers (MCC) to support research flight and ground testing. These dispalys consist of applications operating on systems described as real-time interactive graphics super workstations and real-time interactive PC/AT compatible workstations. This paper reviews these two types of workstations and the specific applications operating on each display system. The applications provide examples that demonstrate overall system capability applicable for use in other ground-based real-time research/test facilities.

Biomimetic Synthesis of Gelatin Polypeptide-Assisted Noble-Metal Nanoparticles and Their Interaction Study

Science.gov (United States)

Liu, Ying; Liu, Xiaoheng; Wang, Xin

2011-12-01

Herein, the generation of gold, silver, and silver-gold (Ag-Au) bimetallic nanoparticles was carried out in collagen (gelatin) solution. It first showed that the major ingredient in gelatin polypeptide, glutamic acid, acted as reducing agent to biomimetically synthesize noble metal nanoparticles at 80°C. The size of nanoparticles can be controlled not only by the mass ratio of gelatin to gold ion but also by pH of gelatin solution. Interaction between noble-metal nanoparticles and polypeptide has been investigated by TEM, UV-visible, fluorescence spectroscopy, and HNMR. This study testified that the degradation of gelatin protein could not alter the morphology of nanoparticles, but it made nanoparticles aggregated clusters array (opposing three-dimensional α-helix folding structure) into isolated nanoparticles stabilized by gelatin residues. This is a promising merit of gelatin to apply in the synthesis of nanoparticles. Therefore, gelatin protein is an excellent template for biomimetic synthesis of noble metal/bimetallic nanoparticle growth to form nanometer-sized device.

Thermodynamics of binding interactions between extracellular polymeric substances and heavy metals by isothermal titration microcalorimetry.

Science.gov (United States)

Yan, Peng; Xia, Jia-Shuai; Chen, You-Peng; Liu, Zhi-Ping; Guo, Jin-Song; Shen, Yu; Zhang, Cheng-Cheng; Wang, Jing

2017-05-01

Extracellular polymeric substances (EPS) play a crucial role in heavy metal bio-adsorption using activated sludge, but the interaction mechanism between heavy metals and EPS remains unclear. Isothermal titration calorimetry was employed to illuminate the mechanism in this study. The results indicate that binding between heavy metals and EPS is spontaneous and driven mainly by enthalpy change. Extracellular proteins in EPS are major participants in the binding process. Environmental conditions have significant impact on the adsorption performance. Divalent and trivalent cations severely impeded the binding of heavy metal ions to EPS. Electrostatic interaction mainly attributed to competition between divalent cations and heavy metal ions; trivalent cations directly competed with heavy metal ions for EPS binding sites. Trivalent cations were more competitive than divalent cations for heavy metal ion binding because they formed complexing bonds. This study facilitates a better understanding about the interaction between heavy metals and EPS in wastewater treatment. Copyright © 2017 Elsevier Ltd. All rights reserved.

TiN nanoparticles on CNT-graphene hybrid support as noble-metal-free counter electrode for quantum-dot-sensitized solar cells.

Science.gov (United States)

Youn, Duck Hyun; Seol, Minsu; Kim, Jae Young; Jang, Ji-Wook; Choi, Youngwoo; Yong, Kijung; Lee, Jae Sung

2013-02-01

The development of an efficient noble-metal-free counter electrode is crucial for possible applications of quantum-dot-sensitized solar cells (QDSSCs). Herein, we present TiN nanoparticles on a carbon nanotube (CNT)-graphene hybrid support as a noble-metal-free counter electrode for QDSSCs employing a polysulfide electrolyte. The resulting TiN/CNT-graphene possesses an extremely high surface roughness, a good metal-support interaction, and less aggregation relative to unsupported TiN; it also has superior solar power conversion efficiency (4.13 %) when applying a metal mask, which is much higher than that of the state-of-the-art Au electrode (3.35 %). Based on electrochemical impedance spectroscopy measurements, the enhancement is ascribed to a synergistic effect between TiN nanoparticles and the CNT-graphene hybrid, the roles of which are to provide active sites for the reduction of polysulfide ions and electron pathways to TiN nanoparticles, respectively. The combination of graphene and CNTs leads to a favorable morphology that prevents stacking of graphene or bundling of CNTs, which maximizes the contact of the support with TiN nanoparticles and improves electron-transfer capability relative to either carbon material alone. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Interaction and control in wearable computing

International Nuclear Information System (INIS)

Strand, Ole Morten; Johansen, Paal; Droeivoldsmo, Asgeir; Reigstad, Magnus; Olsen, Asle; Helgar, Stein

2004-03-01

This report presents the status of Halden Virtual Reality Centre (HVRC) work with technological solutions for wearable computing to support operations where interaction and control of wearable information and communication systems for plant floor personnel are of importance. The report describes a framework and system prototype developed for testing technology, usability and applicability of eye movements and speech for controlling wearable equipment while having both hands free. Potentially interesting areas for further development are discussed with regard to the effect they have on the work situation for plant floor personnel using computerised wearable systems. (Author)

New synthesis ways of supported metallic catalysts and structure-reactivity relations in catalysis by metals; Nouvelles voies de syntheses de catalyseurs metalliques supportes et relations structure-reactivite en catalyse par les metaux

Energy Technology Data Exchange (ETDEWEB)

Uzio, D.

2006-01-15

This work deals with some research studies in the field of supported metallic catalysts. In all these works have been studied the characteristics bound to the active sites and the relations between these characteristics and the catalytic performances. The genesis of colloidal suspensions of transition metallic oxide has been used for the preparation of selective hydrogenation catalysts. At first studied in the case of palladium, this new synthesis way has been used for other metals such as Pt, Ni or Co. These studies have then been developed for preparing bimetallic catalysts (PdSn) with as supplementary aim the control of the homogeneity of the bimetallic character at the scale of nano-metric particles. These works have particularly allowed to specify the chemistry of the solutions of some metallic complexes and to rationalize the chemical processes carried out in the usual fabrication processes. Studies on size effects and the study of the reactivity of the nano and sub nano-metric particle have then been developed. Indeed, the clusters containing some atoms can see their intrinsic properties varied very strongly under the influence of several parameters as the number of atoms, the nature of the support, the reactional atmosphere. Using the knowledge acquired during the preceding works (chemistry of palladium aqueous solutions), the study of new methods of preparation of particles containing very few atoms has brought new data on the properties of hyper dispersed particles as well as on the principle of sensitivity to structure. The contribution of the support to the catalytic process for the hydrogenation of different substrates has been studied too. (O.M.)

Elastic interactions between hydrogen atoms in metals. II. Elastic interaction energies

International Nuclear Information System (INIS)

Shirley, A.I.; Hall, C.K.

1986-01-01

The fully harmonic lattice approximation derived in a previous paper is used to calculate the elastic interaction energies in the niobium-hydrogen system. The permanent-direct, permanent-indirect, induced-direct, and induced-indirect forces calculated previously each give rise to a corresponding elastic interaction between hydrogen atoms. The latter three interactions have three- and four-body terms in addition to the usual two-body terms. These quantities are calculated and compared with the corresponding two-body permanent elastic interactions obtained in the harmonic-approximation treatment of Horner and Wagner. The results show that the total induced elastic energy is approximately (1/3) the size of the total permanent elastic energy and opposite to it in sign. The total elastic energy due to three-body interactions is approximately (1/4) the size of the total two-body elastic energy, while the total four-body elastic energy is approximately 5% of the total two-body energy. These additional elastic energies are expected to have a profound effect on the thermodynamic and phase-change behavior of a metal hydride

Interactions of noble metal nanoparticles with their environment; Wechselwirkungen von Edelmetallnanopartikeln mit ihrer Umgebung

Energy Technology Data Exchange (ETDEWEB)

Reismann, Maximilian

2009-12-08

interlink and assemble single nanoparticles. A photothermally-induced temperature rise aims at a collective breaking of these DNA-interlinkages, which results in a dissociation of the networks. Due to the high spatial particle concentration, an electromagnetic coupling of the plasmons occurs in the nanoparticles. This coupling results in a spectral shift of the light-scattering signal of the nanoparticle network with respect to the signal of spatially separated particles. This effect is used for the spectroscopic detection of network assembling and network dissociation. A second project demonstrates a nanoparticle-supported photothermal control of an enzymatic reaction. For this purpose, enzymes are chemically attached to the surface of gold nanospheres. These nanospheres then become subject to a photothermal treatment. By using the temperature-dependent catalytic activity of the enzymes, the photothermal treatment controls the reaction kinetics of an enzymatic reaction that takes place in the environment of the nanoparticles. Furthermore, this thesis deals with the dependency of the light-scattering signal of noble-metal nanoparticles on their dielectric and chemical environment. For designing sensing applications that rely on this dependency, it is of particular importance to identify the interactions that occur between a nanoparticle and its environment, and to investigate how these interactions affect the spectral characteristics of the nanoparticle. In this work, the interactions between single gold nanospheres and the sample substrate used for the deposition of the spheres are investigated. For this purpose, an optical tweezer is combined with a microspectroscopy setup. This combined setup enables to immobilize single gold nanospheres within an aqueous suspension, and to subsequently deposit the nanospheres onto a sample substrate. The changes in the light-scattering spectrum due to this deposition process can be measured on the same nanoparticle. The main advantage

Oblique interactions of detonation waves with explosive/metal interfaces

International Nuclear Information System (INIS)

Walsh, J.M.

1982-12-01

The interaction of a detonation wave with an explosive/metal interface is considered. Theoretical models are discussed, and calculated results are given for PBX 9501 onto uranium, tantalum, copper, 304 stainless steel, aluminum, and nickel. For PBX 9501 onto aluminum and copper, regular shock reflection (in the PBX 9501) at small angles changes to regular rarefaction reflection (Prandtl-Meyer flow) at large angles, and the curve of metal-shock pressure vs incidence angle is smooth. For the other metals, there is a discontinuity in shock pressure where low-angle, regular reflection transists to Mach reflection, and a smaller discontinuity where the Mach reflection changes back to high-angle regular reflection

Understanding Atom Probe Tomography of Oxide-Supported Metal Nanoparticles by Correlation with Atomic-Resolution Electron Microscopy and Field Evaporation Simulation.

Science.gov (United States)

Devaraj, Arun; Colby, Robert; Vurpillot, François; Thevuthasan, Suntharampillai

2014-04-17

Oxide-supported metal nanoparticles are widely used in heterogeneous catalysis. The increasingly detailed design of such catalysts necessitates three-dimensional characterization with high spatial resolution and elemental selectivity. Laser-assisted atom probe tomography (APT) is uniquely suited to the task but faces challenges with the evaporation of metal/insulator systems. Correlation of APT with aberration-corrected scanning transmission electron microscopy (STEM), for Au nanoparticles embedded in MgO, reveals preferential evaporation of the MgO and an inaccurate assessment of nanoparticle composition. Finite element field evaporation modeling is used to illustrate the evolution of the evaporation front. Nanoparticle composition is most accurately predicted when the MgO is treated as having a locally variable evaporation field, indicating the importance of considering laser-oxide interactions and the evaporation of various molecular oxide ions. These results demonstrate the viability of APT for analysis of oxide-supported metal nanoparticles, highlighting the need for developing a theoretical framework for the evaporation of heterogeneous materials.

Interactive CaringTV® supporting elderly living at home.

Science.gov (United States)

Lehto, Paula

2013-01-01

Interactive CaringTV® is a Finnish innovation that was developed by Laurea University of Applied Sciences in 2006. CaringTV was developed through action research during three research projects. The aim of interactive CaringTV is to support the health and well-being of elderly people living in their own homes. The Safe Home project was based on action research, userdriven methods, and a case study. User-driven methods were applied in planning, implementing and evaluating the programme and eServices e.g. testing and evaluating peer support, including eConsultation as the methods for supporting clients´ coping with life in their own homes. Costeffectiveness and process modelling were studied through the case study. The user-driven approach and the collected data formed the basis for the interactive programme. The online CaringTV programme included content to: support everyday life for the elderly, safety, and activities of daily living, support social relationships, participate in rehabilitation and physical exercises, manage self-care, and health issues. Active participation in the CaringTV programme provided functional ability and everyday coping as well as a meaningful activity in everyday life. CaringTV is an interactive platform to support elderly in their everyday life and help them cope at home. User-driven methods enable participants´ active involvement in planning interactive and online programmes and eServices via CaringTV. The ultimate goal of the CaringTV is to support elderly´s health, wellbeing and interaction. CaringTV empowers elderly people to take responsibility for their own health care as part of healthy ageing.

Interactions between salt marsh plants and Cu nanoparticles - Effects on metal uptake and phytoremediation processes.

Science.gov (United States)

Andreotti, Federico; Mucha, Ana Paula; Caetano, Cátia; Rodrigues, Paula; Rocha Gomes, Carlos; Almeida, C Marisa R

2015-10-01

The increased use of metallic nanoparticles (NPs) raises the probability of finding NPs in the environment. A lot of information exists already regarding interactions between plants and metals, but information regarding interactions between metallic NPs and plants, including salt marsh plants, is still lacking. This work aimed to study interactions between CuO NPs and the salt marsh plants Halimione portulacoides and Phragmites australis. In addition, the potential of these plants for phytoremediation of Cu NPs was evaluated. Plants were exposed for 8 days to sediment elutriate solution doped either with CuO or with ionic Cu. Afterwards, total metal concentrations were determined in plant tissues. Both plants accumulated Cu in their roots, but this accumulation was 4 to 10 times lower when the metal was added in NP form. For P. australis, metal translocation occurred when the metal was added either in ionic or in NP form, but for H. portulacoides no metal translocation was observed when NPs were added to the medium. Therefore, interactions between plants and NPs differ with the plant species. These facts should be taken in consideration when applying these plants for phytoremediation of contaminated sediments in estuaries, as the environmental management of these very important ecological areas can be affected. Copyright © 2015 Elsevier Inc. All rights reserved.

Metal-support interactions in systems palladium deposited on oxidized tungsten surfaces

Czech Academy of Sciences Publication Activity Database

Plšek, Jan; Jirka, Ivan; Nikolajenko, Vladimír; Knor, Zlatko

2006-01-01

Roč. 600, č. 18 (2006), s. 3943-3949 ISSN 0039-6028 R&D Projects: GA ČR GA202/05/0244 Institutional research plan: CEZ:AV0Z40400503 Keywords : field emission microscopy * thermal desorption spectroscopy * synchrotron radiation photoelectron spectroscopy * growth * metal-oxide interfaces Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.880, year: 2006

Heat energy from hydrogen-metal nuclear interactions

Energy Technology Data Exchange (ETDEWEB)

Hadjichristos, John [Defkalion GT SA, 1140 Homer Street, Suite 250, Vancouver BC V682X6 (Canada); Gluck, Peter [Retired from INCDTIM Cluj-Napoca in 1999 (Romania)

2013-11-13

The discovery of the Fleischmann-Pons Effect in 1989, a promise of an abundant, cheap and clean energy source was premature in the sense that theoretical knowledge, relative technologies and the experimental tools necessary for understanding and for scale-up still were not available. Therefore the field, despite efforts and diversification remained quasi-stagnant, the effect (a scientific certainty) being of low intensity leading to mainstream science to reject the phenomenon and not supporting its study. Recently however, the situation has changed, a new paradigm is in statunascendi and the obstacles are systematically removed by innovative approaches. Defkalion, a Greek company (that recently moved in Canada for faster progress) has elaborated an original technology for the Ni-H system [1-3]. It is about the activation of hydrogen and creation of nuclear active nano-cavities in the metal through a multi-stage interaction, materializing some recent breakthrough announcements in nanotechnology, superconductivity, plasma physics, astrophysics and material science. A pre-industrial generator and a novel mass-spectrometry instrumentations were created. Simultaneously, a meta-theory of phenomena was sketched in collaboration with Prof. Y. Kim (Purdue U)

Heat energy from hydrogen-metal nuclear interactions

International Nuclear Information System (INIS)

Hadjichristos, John; Gluck, Peter

2013-01-01

The discovery of the Fleischmann-Pons Effect in 1989, a promise of an abundant, cheap and clean energy source was premature in the sense that theoretical knowledge, relative technologies and the experimental tools necessary for understanding and for scale-up still were not available. Therefore the field, despite efforts and diversification remained quasi-stagnant, the effect (a scientific certainty) being of low intensity leading to mainstream science to reject the phenomenon and not supporting its study. Recently however, the situation has changed, a new paradigm is in statunascendi and the obstacles are systematically removed by innovative approaches. Defkalion, a Greek company (that recently moved in Canada for faster progress) has elaborated an original technology for the Ni-H system [1-3]. It is about the activation of hydrogen and creation of nuclear active nano-cavities in the metal through a multi-stage interaction, materializing some recent breakthrough announcements in nanotechnology, superconductivity, plasma physics, astrophysics and material science. A pre-industrial generator and a novel mass-spectrometry instrumentations were created. Simultaneously, a meta-theory of phenomena was sketched in collaboration with Prof. Y. Kim (Purdue U)

Support effects and catalytic trends for water gas shift activity of transition metals

DEFF Research Database (Denmark)

Boisen, Astrid; Janssens, T.V.W.; Schumacher, Nana Maria Pii

2010-01-01

Water gas shift activity measurements for 12 transition metals (Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Re, Ir, Pt, Au) supported on inert MgAl2O4 and Ce0.75Zr0.25O2 are presented, to elucidate the influence of the active metal and the support. The activity is related to the adsorption energy of molecular...... activity on the MgAl2O4 support and are both characterized by weak CO adsorption. For the MgAl2O4-supported catalysts a volcano-type relation between the activity and the adsorption energy of atomic oxygen on the metal is obtained. The maximum activity is found for metals with a binding energy of oxygen...... around −2.5 eV. No clear correlation exists with the adsorption energy of CO. In contrast, the activity for the Ce0.75Zr0.25O2 support increases with increasing adsorption strength for CO, and based on a relatively low activity of Cu the activity does not seem to depend on the adsorption energy of oxygen...

Quantum Butterfly Effect in Weakly Interacting Diffusive Metals

Directory of Open Access Journals (Sweden)

Aavishkar A. Patel

2017-09-01

Full Text Available We study scrambling, an avatar of chaos, in a weakly interacting metal in the presence of random potential disorder. It is well known that charge and heat spread via diffusion in such an interacting disordered metal. In contrast, we show within perturbation theory that chaos spreads in a ballistic fashion. The squared anticommutator of the electron-field operators inherits a light-cone-like growth, arising from an interplay of a growth (Lyapunov exponent that scales as the inelastic electron scattering rate and a diffusive piece due to the presence of disorder. In two spatial dimensions, the Lyapunov exponent is universally related at weak coupling to the sheet resistivity. We are able to define an effective temperature-dependent butterfly velocity, a speed limit for the propagation of quantum information that is much slower than microscopic velocities such as the Fermi velocity and that is qualitatively similar to that of a quantum critical system with a dynamical critical exponent z>1.

Supported lipid bilayers with controlled curvature via colloidal lithography

DEFF Research Database (Denmark)

Sundh, Maria; Manandhar, Michal; Svedhem, Sofia

2011-01-01

Supported lipid bilayers (SLBs) at surfaces provide a route to quantitatively study molecular interactions with and at lipid membranes via different surface-based analytical techniques. Here, a method to fabricate SLBs with controlled curvatures, in the nanometer regime over large areas, is prese...

Geospatial analyses in support of heavy metal contamination ...

African Journals Online (AJOL)

This paper presents an exploratory assessment of heavy metal contamination along the main highways in Mafikeng, and illustrates how spatial analyses of the contamination for environmental management purposes can be supported by GIS and Remote Sensing. Roadside soil and grass (Stenotaphrum sp.) samples were ...

Surface treatments of metal supports for photocatalysis applications

Energy Technology Data Exchange (ETDEWEB)

Montecchio, Francesco, E-mail: fmon@kth.se [KTH, Royal Institute of Technology, Dept. of Chemical Engineering and Technology, 100 44 Stockholm (Sweden); Chinungi, Don [KTH, Royal Institute of Technology, Dept. of Chemical Engineering and Technology, 100 44 Stockholm (Sweden); Lanza, Roberto [Verdant Chemical Technologies AB, 114 28 Stockholm (Sweden); Engvall, Klas [KTH, Royal Institute of Technology, Dept. of Chemical Engineering and Technology, 100 44 Stockholm (Sweden)

2017-04-15

Highlights: • Treated metals can be used as photocatalyst support in full-scale applications. • Various electrochemical treatments were performed, checking the surface corrugation. • Stainless steel etched in DC and aqua regia shows the highest surface modification. • P25 coated on the DC etched sample has a high stability, with constant activity. • The support modification increases the UV irradiated area and the activity of P25. - Abstract: One of the most important challenges, for scaling up a photocatalytic system for VOCs abatement to full-scale, is the design of a suitable photocatalyst support. The support has to firmly immobilize the photocatalyst, without using an organic adhesive, and should also withstand relatively high mechanical stresses. Metals may be effectively implemented as a support material, after a corrugation of the surface with electrochemical treatments. In the present work, we treated stainless steel and aluminum supports, evaluating the surface modifications due to the electrochemical treatments, with scanning electron microscopy (SEM) and confocal microscopy. Five samples showing the highest degree of restructuring were selected and spray coated with P25, a TiO{sub 2} photocatalyst, evaluating the mechanical stability of the coating with a standard tape test method. One particular stainless steel sample presented a superior surface restructuring and coating stability. The photocatalytic activity of this sample, evaluated measuring the complete oxidation of acetaldehyde, was tested for 15 h, and compared with sample of TiO{sub 2}-P25 on a ceramic support. The stainless steel exhibited a constant performance after an initial stabilization period. The stainless steel sample showed a slightly higher activity, due to the surface restructuring, increasing the irradiated area available for the coated photocatalyst.

Electron emission during multicharged ion-metal surface interactions

International Nuclear Information System (INIS)

Zeijlmans van Emmichoven, P.A.; Havener, C.C.; Hughes, I.G.; Overbury, S.H.; Robinson, M.T.; Zehner, D.M.; Meyer, F.W.

1992-01-01

The electron emission during multicharged ion-metal surface interactions will be discussed. The interactions lead to the emission of a significant number of electrons. Most of these electrons have energies below 30 eV. For incident ions with innershell vacancies the emission of Auger electrons that fill these vacancies has been found to occur mainly below the surface. We will present recently measured electron energy distributions which will be used to discuss the mechanisms that lead to the emission of Auger and of low-energy electrons

Synchrotron X-ray Investigations of Mineral-Microbe-Metal Interactions

International Nuclear Information System (INIS)

Kemner, Kenneth M.; O'Loughlin, Edward J.; Kelly, Shelly D.; Boyanov, Maxim I.

2005-01-01

Interactions between microbes and minerals can play an important role in metal transformations (i.e. changes to an element's valence state, coordination chemistry, or both), which can ultimately affect that element's mobility. Mineralogy affects microbial metabolism and ecology in a system; microbes, in turn, can affect the system's mineralogy. Increasingly, synchrotron-based X-ray experiments are in routine use for determining an element's valence state and coordination chemistry, as well as for examining the role of microbes in metal transformations.

Metallic DFB lasers

NARCIS (Netherlands)

Marell, M.J.H.; Nötzel, R.; Smit, M.K.; Hill, M.T.; Pozo, J.; Mortensen, M.; Urbach, P.; Leijtens, X.; Yousefi, M.

2010-01-01

In this paper we present our latest results on the design, fabrication and characterization of metal coated DFB lasers. These devices are based on a specialform of the metal-insulator-metal waveguides, which support plasmon gap modes. The distributed feedback provides control over the laser ~

Interaction between production control and quality control

NARCIS (Netherlands)

Bij, van der J.D.; Ekert, van J.H.W.

1999-01-01

Describes a qualitative study on interaction between systems for production control and quality control within industrial organisations. Production control and quality control interact in a sense. Good performance for one aspect often influences or frustrates the performance of the other. As far as

Observation of metallic sphere–complex plasma interactions in microgravity

International Nuclear Information System (INIS)

Schwabe, M; Zhdanov, S; Hagl, T; Huber, P; Rubin-Zuzic, M; Zaehringer, E; Thomas, H M; Lipaev, A M; Molotkov, V I; Naumkin, V N; Fortov, V E; Vinogradov, P V

2017-01-01

The PK-3 Plus laboratory on board the International Space Station is used to study the interaction between metallic spheres and a complex plasma. We show that the metallic spheres significantly affect both the local plasma environment and the microparticle dynamics. The spheres charge under the influence of the plasma and repel the microparticles, forming cavities surrounding the spheres. The size of the cavity around a sphere is used to study the force balance acting on microparticles at the cavity edge. We show that the ion drag force and pressure force from other microparticles balances with the electric force acting from the sphere to within 20%. At intermediate distances from the sphere surface, the interaction between the microparticles and the metallic spheres is attractive due to the drag force stemming from the ions which are moving towards the highly charged spheres. The spheres thus strongly affect the plasma fluxes. This modification of the plasma flux can lead to an effective surface tension acting on the microparticles, and to the excitation of dust-density waves near the spheres, as the local electric field crosses a threshold. (paper)

Manipulation of plasmonic wavefront and light–matter interaction in metallic nanostructures: A brief review

International Nuclear Information System (INIS)

Li Jia-Fang; Li Zhi-Yuan

2014-01-01

The control and application of surface plasmons (SPs), is introduced with particular emphasis on the manipulation of the plasmonic wavefront and light–matter interaction in metallic nanostructures. We introduce a direct design methodology called the surface wave holography method and show that it can be readily employed for wave-front shaping of near-infrared light through a subwavelength hole, it can also be used for designing holographic plasmonic lenses for SPs with complex wavefronts in the visible band. We also discuss several issues of light–matter interaction in plasmonic nanostructures. We show theoretically that amplification of SPs can be achieved in metal nanoparticles incorporated with gain media, leading to a giant reduction of surface plasmon resonance linewidth and enhancement of local electric field intensity. We present an all-analytical semiclassical theory to evaluate spaser performance in a plasmonic nanocavity incorporated with gain media described by the four-level atomic model. We experimentally demonstrate amplified spontaneous emission of SP polaritons and their amplification at the interface between a silver film and a polymer film doped with dye molecules. We discuss various aspects of microscopic and macroscopic manipulation of fluorescent radiation from gold nanorod hybrid structures in a system of either a single nanoparticle or an aligned group of nanoparticles. The findings reported and reviewed here could help others explore various approaches and schemes to manipulate plasmonic wavefront and light–matter interaction in metallic nanostructures for potential applications, such as optical displays, information integration, and energy harvesting technologies. (topical review - plasmonics and metamaterials)

Tensorial analysis of the long-range interaction between metastable alkaline-earth-metal atoms

International Nuclear Information System (INIS)

Santra, Robin; Greene, Chris H.

2003-01-01

Alkaline-earth-metal atoms in their lowest (nsnp) 3 P 2 state are exceptionally long lived and can be trapped magnetically. The nonspherical atomic structure leads to anisotropic long-range interactions between two metastable alkaline-earth-metal atoms. The anisotropy affects the rotational motion of the diatomic system and couples states of different rotational quantum numbers. This paper develops a tensorial decomposition of the most important long-range interaction operators, and a systematic inclusion of molecular rotations, in the presence of an external magnetic field. This analysis illuminates the nature of the coupling between the various degrees of freedom. The consequences are illustrated by application to a system of practical interest: metastable 88 Sr. Using atomic parameters determined in a nearly ab initio calculation, we compute adiabatic potential-energy curves. The anisotropic interatomic interaction, in combination with the applied magnetic field, is demonstrated to induce the formation of a long-range molecular potential well. This curve correlates to two fully polarized, low-field seeking atoms in a rotational s-wave state. The coupling among molecular rotational states controls the existence of the potential well, and its properties vary as a function of magnetic-field strength, thus allowing the scattering length in this state to be tuned. The scattering length of metastable 88 Sr displays a resonance at a field of 339 G

Zirconia- versus metal-based, implant-supported abutments and crowns

DEFF Research Database (Denmark)

Hosseini, Mandana

, the selection of restoration materials should be based on proper optical characteristics in addition to biocompatibility and sufficient strength of materials. Abutments and crowns based on zirconia are one of the most recent alternatives to metal abutments and metal-ceramic crowns. To date, only few comparative...... and to estimate long-term biomechanical results of zirconia-based versus metal-based restorations. The aim of study I was to analyse the mode of fracture and number of cyclic loadings until veneering fracture of zirconia-based all-ceramic restorations compared to metal-ceramic restorations. The aim of study II...... was to test the reliability and validity of six aesthetic parameters used at the Copenhagen Dental School to assess the aesthetic outcome of implant-supported restorations. The aims of study III and IV were to compare the influence of different abutment and crown materials on biological, biomechanical...

Process control for sheet-metal stamping process modeling, controller design and shop-floor implementation

CERN Document Server

Lim, Yongseob; Ulsoy, A Galip

2014-01-01

Process Control for Sheet-Metal Stamping presents a comprehensive and structured approach to the design and implementation of controllers for the sheet metal stamping process. The use of process control for sheet-metal stamping greatly reduces defects in deep-drawn parts and can also yield large material savings from reduced scrap. Sheet-metal forming is a complex process and most often characterized by partial differential equations that are numerically solved using finite-element techniques. In this book, twenty years of academic research are reviewed and the resulting technology transitioned to the industrial environment. The sheet-metal stamping process is modeled in a manner suitable for multiple-input multiple-output control system design, with commercially available sensors and actuators. These models are then used to design adaptive controllers and real-time controller implementation is discussed. Finally, experimental results from actual shopfloor deployment are presented along with ideas for further...

Azobenzenes as light-controlled molecular electronic switches in nanoscale metal-molecule-metal junctions.

Science.gov (United States)

Mativetsky, Jeffrey M; Pace, Giuseppina; Elbing, Mark; Rampi, Maria A; Mayor, Marcel; Samorì, Paolo

2008-07-23

Conductance switching associated with the photoisomerization of azobenzene-based (Azo) molecules was observed in nanoscopic metal-molecule-metal junctions. The junctions were formed by using a conducting atomic force microscope (C-AFM) approach, where a metallic AFM tip was used to electrically contact a gold-supported Azo self-assembled monolayer. The measured 30-fold increase in conductance is consistent with the expected decrease in tunneling barrier length resulting from the conformational change of the Azo molecule.

Half-metal phases in a quantum wire with modulated spin-orbit interaction

Science.gov (United States)

Cabra, D. C.; Rossini, G. L.; Ferraz, A.; Japaridze, G. I.; Johannesson, H.

2017-11-01

We propose a spin filter device based on the interplay of a modulated spin-orbit interaction and a uniform external magnetic field acting on a quantum wire. Half-metal phases, where electrons with only a selected spin polarization exhibit ballistic conductance, can be tuned by varying the magnetic field. These half-metal phases are proven to be robust against electron-electron repulsive interactions. Our results arise from a combination of explicit band diagonalization, bosonization techniques, and extensive density matrix renormalization group computations.

Gadolinium doped cerium oxide for soot oxidation: Influence of interfacial metal–support interactions

International Nuclear Information System (INIS)

Durgasri, D. Naga; Vinodkumar, T.; Lin, Fangjian; Alxneit, Ivo; Reddy, Benjaram M.

2014-01-01

Graphical abstract: - Highlights: • Supported Ce-Gd-oxides are applied for soot oxidation for the first time. • Gd 2 O 3 doping facilitates enhanced extrinsic oxygen vacancy concentration in ceria. • The Ce-Gd/TiO 2 exhibited the highest soot oxidation activity. • Key parameters that involved in tuning the activity are discussed. - Abstract: The aim of the present investigation was to ascertain the role of Al 2 O 3 , SiO 2 , and TiO 2 supports in modulating the catalytic performance of ceria-based solid solutions. In this study, we prepared nanosized Ce-Gd/Al 2 O 3 , Ce-Gd/SiO 2 , and Ce-Gd/TiO 2 catalysts by a deposition coprecipitation method and evaluated for soot oxidation. The synthesized catalysts were calcined at two different temperatures to assess their thermal stability and extensively characterized by various techniques, namely, XRD, Raman, BET surface area, TEM, H 2 -TPR, and UV–vis DRS. XRD and TEM results indicate that Ce-Gd-oxide nanoparticles are in highly dispersed form on the surface of the supports. Raman results show a prominent sharp peak and a broad peak corresponding to the F 2g mode of ceria and the presence of oxygen vacancies, respectively. The presence of a significant number of oxygen vacancies in all samples is also confirmed from UV–vis DRS measurements. The H 2 -TPR results suggest that Gd-doping facilitates the reduction of the materials and decreases the onset temperature of reduction. Among the prepared samples, Ce-Gd/TiO 2 catalyst exhibited the highest activity, suggesting the existence of strong interfacial metal support interaction between the active metal oxide and the support

Electronic charge rearrangement at metal/organic interfaces induced by weak van der Waals interactions

Science.gov (United States)

Ferri, Nicola; Ambrosetti, Alberto; Tkatchenko, Alexandre

2017-07-01

Electronic charge rearrangements at interfaces between organic molecules and solid surfaces play a key role in a wide range of applications in catalysis, light-emitting diodes, single-molecule junctions, molecular sensors and switches, and photovoltaics. It is common to utilize electrostatics and Pauli pushback to control the interface electronic properties, while the ubiquitous van der Waals (vdW) interactions are often considered to have a negligible direct contribution (beyond the obvious structural relaxation). Here, we apply a fully self-consistent Tkatchenko-Scheffler vdW density functional to demonstrate that the weak vdW interactions can induce sizable charge rearrangements at hybrid metal/organic systems (HMOS). The complex vdW correlation potential smears out the interfacial electronic density, thereby reducing the charge transfer in HMOS, changes the interface work functions by up to 0.2 eV, and increases the interface dipole moment by up to 0.3 Debye. Our results suggest that vdW interactions should be considered as an additional control parameter in the design of hybrid interfaces with the desired electronic properties.

The double meaning of control: three-way interactions between internal resources, job control, and stressors at work.

Science.gov (United States)

Meier, Laurenz L; Semmer, Norbert K; Elfering, Achim; Jacobshagen, Nicola

2008-07-01

The Job Demand-Control model postulates that job control attenuates the effects of job demands on health and well-being. Support for this interactive effect is rather weak. Conceivably, it holds only when there is a match between job control and individual characteristics that relate to exercising control options, such as locus of control, or self-efficacy. This three-way interaction was tested in a sample of 96 service employees, with affective strain and musculoskeletal pain as dependent variables. As hypothesized, job control attenuated the effects of stressors only for people with an internal locus of control. For people with an external locus of control, job control actually predicted poorer well-being and health as stressors increased. For self-efficacy, the corresponding three-way interaction was significant with regard to affective strain. Copyright (c) 2008 APA, all rights reserved.

Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles.

Science.gov (United States)

Liu, Lichen; Corma, Avelino

2018-05-23

Metal species with different size (single atoms, nanoclusters, and nanoparticles) show different catalytic behavior for various heterogeneous catalytic reactions. It has been shown in the literature that many factors including the particle size, shape, chemical composition, metal-support interaction, and metal-reactant/solvent interaction can have significant influences on the catalytic properties of metal catalysts. The recent developments of well-controlled synthesis methodologies and advanced characterization tools allow one to correlate the relationships at the molecular level. In this Review, the electronic and geometric structures of single atoms, nanoclusters, and nanoparticles will be discussed. Furthermore, we will summarize the catalytic applications of single atoms, nanoclusters, and nanoparticles for different types of reactions, including CO oxidation, selective oxidation, selective hydrogenation, organic reactions, electrocatalytic, and photocatalytic reactions. We will compare the results obtained from different systems and try to give a picture on how different types of metal species work in different reactions and give perspectives on the future directions toward better understanding of the catalytic behavior of different metal entities (single atoms, nanoclusters, and nanoparticles) in a unifying manner.

Interaction of calcium oxide with molten alkali metal chlorides

International Nuclear Information System (INIS)

Volkovich, A.V.; Zhuravlev, V.I.; Ermakov, D.S.; Magurina, M.V.

1999-01-01

Calcium oxide solubility in molten lithium, sodium, potassium, cesium chlorides and their binary mixtures is determined in a temperature range of 973-1173 K by the method of isothermal saturation. Mechanisms of calcium oxide interaction with molten alkali metal chlorides are proposed

DFT study of the interaction between DOTA chelator and competitive alkali metal ions.

Science.gov (United States)

Frimpong, E; Skelton, A A; Honarparvar, B

2017-09-01

1, 4, 7, 10-tetraazacyclododecane-1, 4, 7, 10-tetracetic acid (DOTA) is an important chelator for radiolabeling of pharmaceuticals. The ability of alkali metals found in the body to complex with DOTA and compete with radio metal ions can alter the radiolabeling process. Non-covalent interactions between DOTA complexed with alkali metals Li + , Na + , K + and Rb + , are investigated with density functional theory using B3LYP and ωB97XD functionals. Conformational possibilities of DOTA were explored with a varying number of carboxylic pendant arms of DOTA in close proximity to the ions. It is found that the case in which four arms of DOTA are interacting with ions is more stable than other conformations. The objective of this study is to explore the electronic structure properties upon complexation of alkali metals Li + Na + , K + and Rb + with a DOTA chelator. Interaction energies, relaxation energies, entropies, Gibbs free energies and enthalpies show that the stability of DOTA, complexed with alkali metals decreases down the group of the periodic table. Implicit water solvation affects the complexation of DOTA-ions leading to decreases in the stability of the complexes. NBO analysis through the natural population charges and the second order perturbation theory, revealed a charge transfer between DOTA and alkali metals. Conceptual DFT-based properties such as HOMO/LUMO energies, ΔE HOMO-LUMO and chemical hardness and softness indicated a decrease in the chemical stability of DOTA-alkali metal complexes down the alkali metal series. This study serves as a guide to researchers in the field of organometallic chelators, particularly, radiopharmaceuticals in finding the efficient optimal match between chelators and various metal ions. Copyright © 2017 Elsevier Inc. All rights reserved.

New Modelling Strategies For Metal Cutting

International Nuclear Information System (INIS)

Rosa, Pedro A. R.; Martins, Paulo A. F.; Atkins, Anthony G.

2007-01-01

This paper draws from the 'plasticity and friction only' view of metal cutting to the presentation of new modelling strategies based on the interaction between finite elements and modern ductile fracture mechanics. The overall presentation is supported by specially designed orthogonal metal cutting experiments that were performed on Lead test specimens under laboratory-controlled conditions. Comparisons between theoretical predictions and experimental results comprise a wide range of topics such as material flow, cutting forces and specific cutting pressure. The paper demonstrates that while material flow and chip formation can be successfully modelled by traditional 'plasticity and friction only' analyses, the contribution of the fracture work involved in the formation of new surfaces is essential for obtaining good estimates of cutting forces and of the specific cutting pressure

A metal support for mining drifts

Energy Technology Data Exchange (ETDEWEB)

Lopukhov, N M; Dolotkin, Yu N; Parfenov, Yu A; Verner, Yu V

1982-01-01

The invention relates to underground coal production; namely, the area of reinforcing development workings in gently sloping coal seams, notably workings with pillarless working of the columns. The proposed metal support for mining drifts includes props made of special sections and a roof timber with curved and straight sections; yieldability units; and a shoe. To raise the support's reliability and work safety as it is erected and removed, the shoe is made of firmly interconnected special cross sections; one of them has holes in the side walls, while the prop has a lug firmly fastened to it, situated in the special section and fixed in it by a pin installed in the holes of the lug and special profile with a clearance. The end of the roof timber has a guide trough at an angle to the prop's axis.

Results of measurements of thermal interaction between molten metal and water

International Nuclear Information System (INIS)

Zyszkowski, W.

1975-10-01

The report describes results of an experimental investigation into thermal interaction of molten metals with water. The experiments were performed in two stages: the aim of the first stage was to study the general character of thermal interaction between molten metal and water and to measure the Leidenfrost temperature of the inverse Leidenfrost phenomenon. The second stage was directed to the experimental study of the triggering mechanism of thermal explosion. The experimental material gathered in this study includes: 1) transient temperature measurements in the hot material and in water, 2) measurements of pressure and reactive force combined with thermal explosion, 3) high-speed films of thermal interaction, 4) investigation results of thermal explosion debris (microscopic, mechanical, metallographical and chemical). The most significant observation is, that small jets from the main particle mass occuring 1 to 10 msec before, precede thermal explosion. (orig.) [de

The Simple Metals and New Models of the Interacting-Electron-Gas Type: I. Anomalous Plasmon Dispersion Relations in Heavy Alkali Metals

Science.gov (United States)

Okuda, Takashi; Horio, Kohji; Ohmura, Yoshihiro; Mizuno, Yukio

2018-06-01

The well-known interacting-electron-gas model of metallic states is modified by replacing the Coulomb interaction by a truncated one to weaken the repulsive force between electrons at short distances. The new model is applied to the so-called simple metals and is found far superior to the old one. Most of the calculations are carried out successfully on the basis of the random-phase-approximation (RPA), which is known much too poor for the old familiar model. In the present paper the numerical value of the new parameter peculiar to the new model is determined systematically with the help of the observed plasmon spectrum for each metal.

Theoretical Investigation of the Structural Stabilities of Ceria Surfaces and Supported Metal Nanocluster in Vapor and Aqueous Phases

Energy Technology Data Exchange (ETDEWEB)

Ren, Zhibo [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Liu, Ning [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Chen, Biaohua [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Li, Jianwei [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Mei, Donghai [Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States

2018-01-25

Understanding the structural stability and dynamics at the interface between the solid metal oxide and aqueous phase is significant in a variety of industrial applications including heterogeneous catalysis and environmental remediation. In the present work, the stabilities of three low-index ceria (CeO2) surfaces, i.e., (111), (110) and (100) in vapor and aqueous phases were studied using ab initio molecular dynamics simulations and density functional theory (DFT) calculations. Gibbs surface free energies as a function of temperature, water partial pressure, and water coverages were calculated using DFT based atomistic thermodynamic approach. On the basis of surface free energies, the morphology and exposed surface structures of the CeO2 nanoparticle were predicted using Wulff construction principle. It is found that the partially hydroxylated (111) and (100) are two major surface structures of CeO2 nanoparticles in vapor phase at ambient temperature (300 K). As the temperature increases, the fully dehydrated (111) surface gradually becomes the most dominant surface structure. While in aqueous phase, the exposed surface of the CeO2 nanoparticle is dominated by the hydroxylated (110) structure at 393 K. Finally, the morphology and stability of a cuboctahedron Pt13 nanocluster supported on CeO2 surfaces in both gas and aqueous phases were investigated. In gas phase, the supported Pt13 nanocluster has the tendency to wetting the CeO2 surface due to the strong metal-support interaction. The calculated interaction energies suggest the CeO2(110) surface provides the best stability for the Pt13 nanocluster. The CeO2 supported Pt13 nanoclusters are oxidized. Compared to the gas phase, the morphology of the CeO2 supported Pt13 nanocluster is less distorted due to the solvation effect provided by surrounding water molecules in aqueous phase. More electrons are transferred from the Pt13 nanocluster to the CeO2 support, implying the supported Pt13 nanocluster is further

Measurement of dynamic interaction between a vibrating fuel element and its support

Energy Technology Data Exchange (ETDEWEB)

Fisher, N.J.; Tromp, J.H.; Smith, B.A.W. [Atomic Energy of Canada Limited, Chalk River, Ontario (Canada). Chalk River Labs.

1996-12-01

Flow-induced vibration of CANDU{reg_sign} fuel can result in fretting damage of the fuel and its support. A WOrk-Rate Measuring Station (WORMS) was developed to measure the relative motion and contact forces between a vibrating fuel element and its support. The fixture consists of a small piece of support structure mounted on a micrometer stage. This arrangement permits position of the support relative to the fuel element to be controlled to within {+-} {micro}m. A piezoelectric triaxial load washer is positioned between the support and micrometer stage to measure contact forces, and a pair of miniature eddy-current displacement probes are mounted on the stage to measure fuel element-to-support relative motion. WORMS has been utilized to measure dynamic contact forces, relative displacements and work-rates between a vibrating fuel element and its support. For these tests, the fuel element was excited with broadband random force excitation to simulate flow-induced vibration due to axial flow. The relationship between fuel element-to-support gap or preload (i.e., interference or negative gap) and dynamic interaction (i.e., relative motion, contact forces and work-rates) was derived. These measurements confirmed numerical simulations of in-reactor interaction predicted earlier using the VIBIC code.

Basic metal carbonate supported gold nanoparticles: enhanced performance in aerobic alcohol oxidation

NARCIS (Netherlands)

Yang, J.; Guan, Y.; Verhoeven, M.W.G.M.; Santen, van R.A.; Li, Can; Hensen, E.J.M.

2009-01-01

Gold nanoparticles supported by basic hydrozincite or bismuth carbonate are excellent catalysts for liquid-phase aerobic alcohol oxidation: the performance of a series of metal (Zn, Bi, Ce, La, Zr) carbonate supported gold catalysts depends strongly on the basicity of the support material.

Gadolinium doped cerium oxide for soot oxidation: Influence of interfacial metal–support interactions

Energy Technology Data Exchange (ETDEWEB)

Durgasri, D. Naga; Vinodkumar, T. [Inorganic and Physical Chemistry Division, CSIR–Indian Institute of Chemical Technology, Uppal Road, Hyderabad 500 007 (India); Lin, Fangjian; Alxneit, Ivo [Solar Technology Laboratory, Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Reddy, Benjaram M., E-mail: bmreddy@iict.res.in [Inorganic and Physical Chemistry Division, CSIR–Indian Institute of Chemical Technology, Uppal Road, Hyderabad 500 007 (India)

2014-09-30

Graphical abstract: - Highlights: • Supported Ce-Gd-oxides are applied for soot oxidation for the first time. • Gd{sub 2}O{sub 3} doping facilitates enhanced extrinsic oxygen vacancy concentration in ceria. • The Ce-Gd/TiO{sub 2} exhibited the highest soot oxidation activity. • Key parameters that involved in tuning the activity are discussed. - Abstract: The aim of the present investigation was to ascertain the role of Al{sub 2}O{sub 3}, SiO{sub 2}, and TiO{sub 2} supports in modulating the catalytic performance of ceria-based solid solutions. In this study, we prepared nanosized Ce-Gd/Al{sub 2}O{sub 3}, Ce-Gd/SiO{sub 2}, and Ce-Gd/TiO{sub 2} catalysts by a deposition coprecipitation method and evaluated for soot oxidation. The synthesized catalysts were calcined at two different temperatures to assess their thermal stability and extensively characterized by various techniques, namely, XRD, Raman, BET surface area, TEM, H{sub 2}-TPR, and UV–vis DRS. XRD and TEM results indicate that Ce-Gd-oxide nanoparticles are in highly dispersed form on the surface of the supports. Raman results show a prominent sharp peak and a broad peak corresponding to the F{sub 2g} mode of ceria and the presence of oxygen vacancies, respectively. The presence of a significant number of oxygen vacancies in all samples is also confirmed from UV–vis DRS measurements. The H{sub 2}-TPR results suggest that Gd-doping facilitates the reduction of the materials and decreases the onset temperature of reduction. Among the prepared samples, Ce-Gd/TiO{sub 2} catalyst exhibited the highest activity, suggesting the existence of strong interfacial metal support interaction between the active metal oxide and the support.

Preparation of self-supporting thin metal target films

International Nuclear Information System (INIS)

Wang Xiuying; Ge Suxian; Yin Jianhua; Yin Xu; Jin Genming

1989-01-01

The preparation method and equipment for thin metal self-supporting target without oil contamination are described. The influence of target films contaminated by oil vapor on accuracy of nuclear-physics experimental data are also discussed. The analytical results on carbon content in the prepared films of three elements show that the equipment is very effective for eliminating contamination

The interaction of bacteria and metal surfaces

International Nuclear Information System (INIS)

Mansfeld, Florian

2007-01-01

This review discusses different examples for the interaction of bacteria and metal surfaces based on work reported previously by various authors and work performed by the author with colleagues at other institutions and with his graduate students at CEEL. Traditionally it has been assumed that the interaction of bacteria with metal surfaces always causes increased corrosion rates ('microbiologically influenced corrosion' (MIC)). However, more recently it has been observed that many bacteria can reduce corrosion rates of different metals and alloys in many corrosive environments. For example, it has been found that certain strains of Shewanella can prevent pitting of Al 2024 in artificial seawater, tarnishing of brass and rusting of mild steel. It has been observed that corrosion started again when the biofilm was killed by adding antibiotics. The mechanism of corrosion protection seems to be different for different bacteria since it has been found that the corrosion potential E corr became more negative in the presence of Shewanella ana and algae, but more positive in the presence of Bacillus subtilis. These findings have been used in an initial study of the bacterial battery in which Shewanella oneidensis MR-1 was added to a cell containing Al 2024 and Cu in a growth medium. It was found that the power output of this cell continuously increased with time. In the microbial fuel cell (MFC) bacteria oxidize the fuel and transfer electrons directly to the anode. In initial studies EIS has been used to characterize the anode, cathode and membrane properties for different operating conditions of a MFC that contained Shewanella oneidensis MR-1. Cell voltage (V)-current density (i) curves were obtained using potentiodynamic sweeps. The current output of a MFC has been monitored for different experimental conditions

The interaction of bacteria and metal surfaces

Energy Technology Data Exchange (ETDEWEB)

Mansfeld, Florian [Corrosion and Environmental Effects Laboratory (CEEL), The Mork Family Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, CA 90089-0241 (United States)

2007-10-10

This review discusses different examples for the interaction of bacteria and metal surfaces based on work reported previously by various authors and work performed by the author with colleagues at other institutions and with his graduate students at CEEL. Traditionally it has been assumed that the interaction of bacteria with metal surfaces always causes increased corrosion rates ('microbiologically influenced corrosion' (MIC)). However, more recently it has been observed that many bacteria can reduce corrosion rates of different metals and alloys in many corrosive environments. For example, it has been found that certain strains of Shewanella can prevent pitting of Al 2024 in artificial seawater, tarnishing of brass and rusting of mild steel. It has been observed that corrosion started again when the biofilm was killed by adding antibiotics. The mechanism of corrosion protection seems to be different for different bacteria since it has been found that the corrosion potential E{sub corr} became more negative in the presence of Shewanella ana and algae, but more positive in the presence of Bacillus subtilis. These findings have been used in an initial study of the bacterial battery in which Shewanella oneidensis MR-1 was added to a cell containing Al 2024 and Cu in a growth medium. It was found that the power output of this cell continuously increased with time. In the microbial fuel cell (MFC) bacteria oxidize the fuel and transfer electrons directly to the anode. In initial studies EIS has been used to characterize the anode, cathode and membrane properties for different operating conditions of a MFC that contained Shewanella oneidensis MR-1. Cell voltage (V) - current density (i) curves were obtained using potentiodynamic sweeps. The current output of a MFC has been monitored for different experimental conditions. (author)

The interaction of fingermark deposits on metal surfaces and potential ways for visualisation.

Science.gov (United States)

Wightman, G; Emery, F; Austin, C; Andersson, I; Harcus, L; Arju, G; Steven, C

2015-04-01

The interaction of fingermark deposits on metals has been examined by a variety of techniques. Visualisation by film growth has been the main area of investigation through: thermal oxidation, anodising, peroxide solution, and the interaction with vapour of iodine and ammonium sulphide. Corrosion of the underlying metal has also been examined as an alternative means of visualisation. Confocal microscopy was used to look at the film thickness and corrosion products around the prints. Scanning electron microscopy and energy dispersion of X-rays (SEM-EDX) examined a number of metal samples to investigate film growth and the elemental distribution. The observations suggest that differential oxidation was occurring as well as corrosion into the metal. Fingermark deposits on metals can corrode into the metal depending on the reactivity of the metal and leave a recoverable mark. However, fingermark deposits can also alter the rate of chemical reaction of the substrate metal by oxidation. In some cases organic matter can inhibit reaction, both when forming an oxide layer and when corroding the metal. However, signs of third level detail from pore contact may also be visible and the monovalent ions from salts could also influence film growth. Whilst further work would need to be carried out to decide whether any of these techniques may have application in fingermark recovery, this study does suggest that fingermarks on metals may be recoverable after incidents such as fires or immersion in water. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Athlete social support, negative social interactions and psychological health across a competitive sport season.

Science.gov (United States)

DeFreese, J D; Smith, Alan L

2014-12-01

Social support and negative social interactions have implications for athlete psychological health, with potential to influence the links of stress-related experiences with burnout and well-being over time. Using a longitudinal design, perceived social support and negative social interactions were examined as potential moderators of the temporal stress-burnout and burnout-well-being relationships. American collegiate athletes (N = 465) completed reliable and valid online assessments of study variables at four time points during the competitive season. After controlling for dispositional and conceptually important variables, social support and negative social interactions did not moderate the stress-burnout or burnout-well-being relationships, respectively, but did simultaneously contribute to burnout and well-being across the competitive season. The results showcase the importance of sport-related social perceptions to athlete psychological outcomes over time and inform development of socially driven interventions to improve the psychological health of competitive athletes.

Modelling metal-humate interactions: an approach based on the Gibbs-Donnan concept

International Nuclear Information System (INIS)

Ephraim, J.H.

1995-01-01

Humic and fulvic acids constitute an appreciable portion of organic substances in both aquatic and terrestrial environments. Their ability to sequester metal ions and other trace elements has engaged the interest of numerous environmental scientists recently and even though considerable advances have been made, a lot more remains unknown in the area. The existence of high molecular weight fractions and functional group heterogeneity have endowed ion exchange characteristics to these substances. For example, the cation exchange capacities of some humic substances have been compared to those of smectites. Recent development in the solution chemistry has also indicated that humic substances have the capability to interact with other anions because of their amphiphilic nature. In this paper, metal-humate interaction is described by relying heavily on information obtained from treatment of the solution chemistry of ion exchangers as typical polymers. In such a treatment, the perturbations to the metal-humate interaction are estimated by resort to the Gibbs-Donnan concept where the humic substance molecule is envisaged as having a potential counter-ion concentrating region around its molecular domain into which diffusible components can enter or leave depending on their corresponding electrochemical potentials. Information from studies with ion exchangers have been adapted to describe ionic equilibria involving these substances by making it possible to characterise the configuration/conformation of these natural organic acids and to correct for electrostatic effects in the metal-humate interaction. The resultant unified physicochemical approach has facilitated the identification and estimation of the complications to the solution chemistry of humic substances. (authors). 15 refs., 1 fig

Interactions between heavy metals and sewer slimes. Wechselwirkungen zwischen Schwermetallen und Sielhaut

Energy Technology Data Exchange (ETDEWEB)

Gutekunst, B.

1989-09-01

Sewer slimes in wastewater pipes are an efficient means for detecting heavy metals discharged into the sewer system. The chances and limits of this method are discussed on the basis of the interactions between the heavy metals and the sewer slime. Chemical processes which lead to an accumulation of heavy metals are precipitation, adsorption and sedimentation. The mobilization is due to dissolution, desorption and complexation. The dependency of the waste water parameters pH, redox potential, heavy metal concentration and speciation on the accumulation and mobilization of the heavy metals is investigated as well as the binding capacity and strength. The heavy metals speciations in sewer slime are estimated by the application of a sequential leaching technique. Finally the practical significance of the experiments is shown. (orig.).

Production and repair of metal supports as an indispensable activity of the Georgi Dimitrov mining and power combine

Energy Technology Data Exchange (ETDEWEB)

Mladenov, O

1979-07-01

Georgi Dimitrov underground mines have favoured metal supports over concrete slabs and timber since 1972 because of their well known advantages and because metal supports lend themselves to easy handling by 4-PU combines and 1PNB-2 loading machines. To eliminate bottlenecks and high costs of procurement from a central base individual mines were charged with production of their own metal supports. This resulted in some new developments, for example, in the production of supports with a 3.16 times greater capacity in the Marshall Tolbukhin and Al. Milenov mines in 1978. Hydraulic presses are generally used to produce conventional arch and ring type supports, and the Polish make PHPG-100 press is used for repairs. Decentralization also caused problems: different length timber and metal supports often necessitate additional cutting operations, a multitude of machines cause increased manual handling, and equipment is too often adapted to special requirements of individual shifts. However, costs of metal supports have dropped about 15%. Further improvement would require that the production of metal supports be centralized for the entire combine, supports be used according to their strength, and screw joinings be replaced with cotter type fastenings.

CONFIGURATION-INTERACTION IN NI METAL AND NI-ALLOYS AND HIGH-ENERGY SPECTROSCOPY

NARCIS (Netherlands)

TANAKA, A; JO, T; SAWATZKY, GA

We discuss the electronic state of Ni atoms in Ni metal and of Ni impurity in Cu and Au metals from the viewpoint of 3d configuration interaction (CI) using the Anderson impurity model including atomic multiplets. On the basis of the discussion, we give an interpretation for the Ni 2p-core X-ray

Metal Ion Controlled Polymorphism of a Peptide

DEFF Research Database (Denmark)

Hemmingsen, Lars Bo Stegeager; Jancso, Attila; Szunyogh, Daniel

2011-01-01

ions on fully or partially unstructured proteins, or the effect of metal ions on protein aggregation. Metal ions may be employed to fold (or misfold) individual peptides in a controlled manner depending on the potential metal ion coordinating amino acid side chains (Cys, His, Asp, Glu......In this work a metal ion binding model dodecapeptide was investigated in terms of its capacity to adopt different structures depending on the metal ion to peptide stoichiometry. The dodecapeptide is much simpler than real proteins, yet displays sufficient complexity to model the effect of metal......, …) in the peptide, and the ligand and structural preferences of the metal ion (in our studies Zn2+, Cd2+, Hg2+, Cu+/2+). Simultaneously, new species such as metal ion bridged ternary complexes or even oligomers may be formed. In recent previous studies we have observed similar polymorphism of zinc finger model...

Hydrous titanium oxide-supported catalysts

International Nuclear Information System (INIS)

Dosch, R.G.; Stohl, F.V.; Richardson, J.T.

1990-01-01

Catalysts were prepared on hydrous titanium oxide (HTO) supports by ion exchange of an active metal for Na + ions incorporated in the HTO support during preparation by reaction with the parent Ti alkoxide. Strong active metal-HTO interactions as a result of the ion exchange reaction can require significantly different conditions for activation as compared to catalysts prepared by more widely used incipient wetness methods. The latter catalysts typically involve conversion or while the HTO catalysts require the alteration of electrostatic bonds between the metal and support with subsequent alteration of the support itself. In this paper, the authors discuss the activation, via sulfidation or reduction, of catalysts consisting of Co, Mo, or Ni-Mo dispersed on HTO supports by ion exchange. Correlations between the activation process and the hydrogenation, hydrodeoxygenation, and hydrodesulfurization activities of the catalysts are presented

Oligopeptide-heavy metal interaction monitoring by hybrid gold nanoparticle based assay.

Science.gov (United States)

Politi, Jane; Spadavecchia, Jolanda; Iodice, Mario; de Stefano, Luca

2015-01-07

Phytochelatins are small peptides that can be found in several organisms, which use these oligopeptides to handle heavy metal elements. Here, we report a method for monitoring interactions between lead(ii) ions in aqueous solutions and phytochelatin 6 oligopeptide bioconjugated onto pegylated gold nanorods (PEG-AuNrs). This study is the first step towards a high sensitive label free optical biosensor to quantify heavy metal pollution in water.

Catalytic incineration of CO and VOC emissions over supported metal oxide catalysts

Energy Technology Data Exchange (ETDEWEB)

Larsson, Per-Olof

1999-05-01

Catalytic incineration is one of the methods to reduce the emissions of CO and VOCs. Low operation temperature and low catalyst cost are essential parameters for catalytic incinerators. Pt/Al{sub 2}O{sub 3} catalysts are frequently used today, but the cheaper metal oxide catalysts can be very competitive if comparable overall activity is obtained. This thesis concerns how it is possible to decrease the operation temperature for supported metal oxide catalysts by using different supports, active metal oxides and additives. In the thesis it is demonstrated that different copper oxide based catalysts have the best activity and durability for complete oxidation among several tested metal oxide catalysts. CuO{sub x} supported on TiO{sub 2} and Al{sub 2}O{sub 3} showed increased activity with the CuO{sub x} loading up to the threshold coverage for formation of crystalline CuO particles, which is 12 {mu}mol/m{sup 2} on TiO{sub 2} and 6 {mu}mol/m{sup 2} on Al{sub 2}O{sub 3}. Up to the threshold coverage for CuO formation, well dispersed copper oxide species were formed on TiO{sub 2}, and a dispersed copper aluminate surface phase was formed on Al{sub 2}O{sub 3}. Durability tests showed accelerated sintering of TiO{sub 2} by copper, but stabilisation was possible by modification of the TiO{sub 2} with CeO{sub x} before the deposition of CuO{sub x}. The stabilisation was obtained by formation of a Ce-O-Ti surface phase. Addition of CeO{sub x} also enhanced the activity of the copper oxide species thanks to favourable interaction between the active copper oxide species and the CeO{sub x} on the support, which could be seen as increased reducibility in TPR experiments. The increased activity and reducibility was also observed for CuO{sub x} supported on ceria modified Al{sub 2}O{sub 3}. In this regard it was shown that CuO{sub x} deposited on CeO{sub 2}(001) surfaces was substantially more active for CO oxidation than copper oxide deposited on CeO{sub 2}(111) Surfaces. This

Understanding Trends in Catalytic Activity: The Effect of Adsorbate-Adsorbate Interactions for CO Oxidation Over Transition Metals

DEFF Research Database (Denmark)

Grabow, Lars; Larsen, Britt Hvolbæk; Nørskov, Jens Kehlet

2010-01-01

Using high temperature CO oxidation as the example, trends in the reactivity of transition metals are discussed on the basis of density functional theory (DFT) calculations. Volcano type relations between the catalytic rate and adsorption energies of important intermediates are introduced...... and the effect of adsorbate-adsorbate interaction on the trends is discussed. We find that adsorbate-adsorbate interactions significantly increase the activity of strong binding metals (left side of the volcano) but the interactions do not change the relative activity of different metals and have a very small...... influence on the position of the top of the volcano, that is, on which metal is the best catalyst....

Applications of ion implantation for modifying the interactions between metals and hydrogen gas

Science.gov (United States)

Musket, R. G.

1989-04-01

Ion implantations into metals have been shown recently to either reduce or enhance interactions with gaseous hydrogen. Published studies concerned with modifications of these interactions are reviewed and discussed in terms of the mechanisms postulated to explain the observed changes. The interactions are hydrogenation, hydrogen permeation, and hydrogen embrittlement. In particular, the results of the reviewed studies are (a) uranium hydriding suppressed by implantation of oxygen and carbon, (b) hydrogen gettered in iron and nickel using implantation of titanium, (c) hydriding of titanium catalyzed by implanted palladium, (d) tritium permeation of 304L stainless steel reduced using selective oxidation of implanted aluminum, and (e) hydrogen attack of a low-alloy steel accelerated by implantation of helium. These studies revealed ion implantation to be an effective method for modifying the interactions of hydrogen gas with metals.

Gate-voltage control of equal-spin Andreev reflection in half-metal/semiconductor/superconductor junctions

Energy Technology Data Exchange (ETDEWEB)

Wu, Xiuqiang, E-mail: xianqiangzhe@126.com [National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China); Meng, Hao, E-mail: menghao1982@shu.edu.cn [School of Physics and Telecommunication Engineering, Shanxi University of Technology, Hanzhong 723001 (China)

2016-04-22

With the Blonder–Tinkham–Klapwijk (BTK) approach, we investigate conductance spectrum in Ferromagnet/Semiconductor/Superconductor (FM/Sm/SC) double tunnel junctions where strong Rashba spin–orbit interaction (RSOI) is taken into account in semiconductors. For the half-metal limit, we find that the in-gap conductance becomes finite except at zero voltage when inserting a ferromagnetic insulator (FI) at the Sm/SC interface, which means that the appearance of a long-range triplet states in the half-metal. This is because of the emergence of the unconventional equal-spin Andreev reflection (ESAR). When the FI locates at the FM/Sm interface, however, we find the vanishing in-gap conductance due to the absence of the ESAR. Moreover, the non-zero in-gap conductance shows a nonmonotonic dependence on RSOI which can be controlled by applying an external gate voltage. Our results can be used to generate and manipulate the long-range spin triplet correlation in the nascent field of superconducting spintronics. - Highlights: • We study the equal-spin Andreev reflection in half-metal/semiconductor/superconductor (HM/Sm/SC) junctions. • The equal-spin Andreev reflection appearance when inserting a ferromagnetic insulator at the Sm/SC interface. • The finite in-gap conductance is attributed to the emergence of the equal-spin Andreev reflection. • The finite in-gap conductance shows a nonmonotonic dependence on Rashba spin–orbit interaction. • The finite in-gap conductance can be controlled by applying an external gate voltage.

The interaction of trace heavy metal with lipid monolayer in the sea surface microlayer.

Science.gov (United States)

Li, Siyang; Du, Lin; Tsona, Narcisse T; Wang, Wenxing

2018-04-01

Lipid molecules and trace heavy metals are enriched in sea surface microlayer and can be transferred into the sea spray aerosol. To better understand their impact on marine aerosol generation and evolution, we investigated the interaction of trace heavy metals including Fe 3+ , Pb 2+ , Zn 2+ , Cu 2+ , Ni 2+ , Cr 3+ , Cd 2+ , and Co 2+ , with dipalmitoylphosphatidylcholine (DPPC) monolayers at the air-water interface. Phase behavior of the DPPC monolayer on heavy metal solutions was probed with surface pressure-area (π-A) isotherms. The conformation order and orientation of DPPC alkyl chains were characterized by infrared reflection-absorption spectroscopy (IRRAS). The π-A isotherms show that Zn 2+ and Fe 3+ strongly interact with DPPC molecules, and induce condensation of the monolayers in a concentration-dependent manner. IRRAS spectra show that the formation of cation-DPPC complex gives rise to conformational changes and immobilization of the headgroups. The current results suggest that the enrichment of Zn 2+ in sea spray aerosols is due to strong binding to the DPPC film. The interaction of Fe 3+ with DPPC monolayers can significantly influence their surface organizations through the formation of lipid-coated particles. These results suggest that the sea surface microlayer is capable of accumulating much higher amounts of these metals than the subsurface water. The organic and metal pollutants may transfer into the atmosphere by this interaction. Copyright © 2017 Elsevier Ltd. All rights reserved.

METHANE DRY REFORMING OVER Ni SUPPORTED ON PINE SAWDUST ACTIVATED CARBON: EFFECTS OF SUPPORT SURFACE PROPERTIES AND METAL LOADING

Directory of Open Access Journals (Sweden)

Rafael García

2015-05-01

Full Text Available The influence of metal loading and support surface functional groups (SFG on methane dry reforming (MDR over Ni catalysts supported on pine-sawdust derived activated carbon were studied. Using pine sawdust as the catalyst support precursor, the smallest variety and lowest concentration of SFG led to best Ni dispersion and highest catalytic activity, which increased with Ni loading up to 3 Ni atoms nm-2. At higher Ni loading, the formation of large metal aggregates was observed, consistent with a lower "apparen" surface area and a decrease in catalytic activity. The H2/CO ratio rose with increasing reaction temperature, indicating that increasingly important side reactions were taking place in addition to MDR.

Voltage Control of Rare-Earth Magnetic Moments at the Magnetic-Insulator-Metal Interface

Science.gov (United States)

Leon, Alejandro O.; Cahaya, Adam B.; Bauer, Gerrit E. W.

2018-01-01

The large spin-orbit interaction in the lanthanides implies a strong coupling between their internal charge and spin degrees of freedom. We formulate the coupling between the voltage and the local magnetic moments of rare-earth atoms with a partially filled 4 f shell at the interface between an insulator and a metal. The rare-earth-mediated torques allow the power-efficient control of spintronic devices by electric-field-induced ferromagnetic resonance and magnetization switching.

The Biomechanisms of Metal and Metal-Oxide Nanoparticles’ Interactions with Cells

Directory of Open Access Journals (Sweden)

Sondra S. Teske

2015-01-01

Full Text Available Humans are increasingly exposed to nanoparticles (NPs in medicine and in industrial settings, where significant concentrations of NPs are common. However, NP interactions with and effects on biomolecules and organisms have only recently been addressed. Within we review the literature regarding proposed modes of action for metal and metal-oxide NPs, two of the most prevalent types manufactured. Iron-oxide NPs, for instance, are used as tracers for magnetic resonance imaging of oncological tumors and as vehicles for therapeutic drug delivery. Factors and theories that determine the physicochemical and biokinetic behaviors of NPs are discussed, along with the observed toxicological effects of NPs on cells. Key thermodynamic and kinetic models that explain the sources of energy transfer from NPs to biological targets are summarized, in addition to quantitative structural activity relationship (QSAR modeling efforts. Future challenges for nanotoxicological research are discussed. We conclude that NP studies based on cell culture are often inconsistent and underestimate the toxicity of NPs. Thus, the effect of NPs needs to be examined in whole animal systems.

Self-Supporting Nanodiamond Gels: Elucidating Colloidal Interactions Through Rheology_

Science.gov (United States)

Adhikari, Prajesh; Tripathi, Anurodh; Vogel, Nancy A.; Rojas, Orlando J.; Raghavan, Sriunivasa R.; Khan, Saad A.

This work investigates the colloidal interactions and rheological behavior of nanodiamond (ND) dispersions. While ND represents a promising class of nanofiller due to its high surface area, superior mechanical strength, tailorable surface functionality and biocompatibility, much remains unknown about the behavior of ND dispersions. We hypothesize that controlling interactions in ND dispersions will lead to highly functional systems with tunable modulus and shear response. Steady and dynamic rheology techniques are thus employed to systematically investigate nanodiamonds dispersed in model polar and non-polar media. We find that low concentrations of ND form gels almost instantaneously in a non-polar media. In contrast, ND's in polar media show a time-dependent behavior with the modulus increasing with time. We attribute the difference in behavior to variations in inter-particle interactions as well as the interaction of the ND with the media. Large steady and oscillatory strains are applied to ND colloidal gels to investigate the role of shear in gel microstructure breakdown and recovery. For colloidal gels in non-polar medium, the incomplete recovery of elastic modulus at high strain amplitudes indicates dominance of particle-particle interactions; however, in polar media the complete recovery of elastic modulus even at high strain amplitudes indicates dominance of particle-solvent interactions. These results taken together provide a platform to develop self-supporting gels with tunable properties in terms of ND concentration, and solvent type.

Interactive visual supports for children with autism

OpenAIRE

Hayes, Gillian R.; Hirano, Sen; Marcu, Gabriela; Monibi, Mohamad; Nguyen, David H.; Yeganyan, Michael

2010-01-01

Interventions to support children with autism often include the use of visual supports, which are cognitive tools to enable learning and the production of language. Although visual supports are effective in helping to diminish many of the challenges of autism, they are difficult and time-consuming to create, distribute, and use. In this paper, we present the results of a qualitative study focused on uncovering design guidelines for interactive visual supports that would address the many chall...

Universal Quantum Criticality in the Metal-Insulator Transition of Two-Dimensional Interacting Dirac Electrons

Directory of Open Access Journals (Sweden)

Yuichi Otsuka

2016-03-01

Full Text Available The metal-insulator transition has been a subject of intense research since Mott first proposed that the metallic behavior of interacting electrons could turn to an insulating one as electron correlations increase. Here, we consider electrons with massless Dirac-like dispersion in two spatial dimensions, described by the Hubbard models on two geometrically different lattices, and perform numerically exact calculations on unprecedentedly large systems that, combined with a careful finite-size scaling analysis, allow us to explore the quantum critical behavior in the vicinity of the interaction-driven metal-insulator transition. Thereby, we find that the transition is continuous, and we determine the quantum criticality for the corresponding universality class, which is described in the continuous limit by the Gross-Neveu model, a model extensively studied in quantum field theory. Furthermore, we discuss a fluctuation-driven scenario for the metal-insulator transition in the interacting Dirac electrons: The metal-insulator transition is triggered only by the vanishing of the quasiparticle weight, not by the Dirac Fermi velocity, which instead remains finite near the transition. This important feature cannot be captured by a simple mean-field or Gutzwiller-type approximate picture but is rather consistent with the low-energy behavior of the Gross-Neveu model.

Electrochemical dopamine sensor based on P-doped graphene: Highly active metal-free catalyst and metal catalyst support.

Science.gov (United States)

Chu, Ke; Wang, Fan; Zhao, Xiao-Lin; Wang, Xin-Wei; Tian, Ye

2017-12-01

Heteroatom doping is an effective strategy to enhance the catalytic activity of graphene and its hybrid materials. Despite a growing interest of P-doped graphene (P-G) in energy storage/generation applications, P-G has rarely been investigated for electrochemical sensing. Herein, we reported the employment of P-G as both metal-free catalyst and metal catalyst support for electrochemical detection of dopamine (DA). As a metal-free catalyst, P-G exhibited prominent DA sensing performances due to the important role of P doping in improving the electrocatalytic activity of graphene toward DA oxidation. Furthermore, P-G could be an efficient supporting material for loading Au nanoparticles, and resulting Au/P-G hybrid showed a dramatically enhanced electrocatalytic activity and extraordinary sensing performances with a wide linear range of 0.1-180μM and a low detection limit of 0.002μM. All these results demonstrated that P-G might be a very promising electrode material for electrochemical sensor applications. Copyright © 2017 Elsevier B.V. All rights reserved.

Lipase-supported metal-organic framework bioreactor catalyzes warfarin synthesis.

Science.gov (United States)

Liu, Wan-Ling; Yang, Ni-Shin; Chen, Ya-Ting; Lirio, Stephen; Wu, Cheng-You; Lin, Chia-Her; Huang, Hsi-Ya

2015-01-02

A green and sustainable strategy synthesizes clinical medicine warfarin anticoagulant by using lipase-supported metal-organic framework (MOF) bioreactors (see scheme). These findings may be beneficial for future studies in the industrial production of chemical, pharmaceutical, and agrochemical precursors. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Interactions between heavy metals and photosynthetic materials studied by optical techniques.

Science.gov (United States)

Ventrella, Andrea; Catucci, Lucia; Piletska, Elena; Piletsky, Sergey; Agostiano, Angela

2009-11-01

In this work studies on rapid inhibitory interactions between heavy metals and photosynthetic materials at different organization levels were carried out by optical assay techniques, investigating the possibility of applications in the heavy metal detection field. Spinach chloroplasts, thylakoids and Photosystem II proteins were employed as biotools in combination with colorimetric assays based on dichlorophenol indophenole (DCIP) photoreduction and on fluorescence emission techniques. It was found that copper and mercury demonstrated a strong and rapid photosynthetic activity inhibition, that varied from proteins to membranes, while other metals like nickel, cobalt and manganese produced only slight inhibition effects on all tested photosynthetic materials. By emission measurements, only copper was found to rapidly influence the photosynthetic material signals. These findings give interesting information about the rapid effects of heavy metals on isolated photosynthetic samples, and are in addition to the literature data concerning the effects of growth in heavy metal enriched media.

Strain rate effects on localized necking in substrate-supported metal layers

OpenAIRE

BEN BETTAIEB, Mohamed; ABED-MERAIM, Farid

2017-01-01

Due to their good mechanical and technological performances, thin substrate-supported metal layers are increasingly used as functional components in flexible electronic devices. Consequently, the prediction of necking, and the associated limit strains, for such components is of major academic and industrial importance. The current contribution aims to numerically investigate the respective and combined effects of strain rate sensitivity of the metal layer and the addition of an elastomer l...

Applications of ion implantation for modifying the interactions between metals and hydrogen gas

International Nuclear Information System (INIS)

Musket, R.G.

1989-01-01

Ion implantations into metals have been shown recently to either reduce or enhance interactions with gaseous hydrogen. Published studies concerned with modifications of these interactions are reviewed and discussed in terms of the mechanisms postulated to explain the observed changes. The interactions are hydrogenation, hydrogen permeation and hydrogen embrittlement. In particular, the results of the reviewed studies are 1. uranium hydriding suppressed by implantation of oxygen and carbon, 2. hydrogen gettered in iron and nickel using implantation of titanium, 3. hydriding of titanium catalyzed by implanted palladium, 4. tritium permeation of 304L stainless steel reduced using selective oxidation of implanted aluminum, and 5. hydrogen attack of a low-alloy steel accelerated by implantation of helium. These studies revealed ion implantation to be an effective method for modifying the interactions of hydrogen gas with metals. (orig.)

Studies about interaction of hydrogen isotopes with metals and intermetallic compounds

International Nuclear Information System (INIS)

Vasut, F.; Anisoara, P.; Zamfirache, M.

2003-01-01

Hydrogen is a non-toxic but highly inflammable gas. Compared to other inflammable gases, its range of inflammability in air is much broader (4-74.5%) but it also vaporizes much more easily. Handling of hydrogen in form of hydrides enhances safety. The interaction of hydrogen with metals and intermetallic compounds is a major field within physical chemistry. Using hydride-forming metals and intermetallic compounds, for example, recovery, purification and storage of heavy isotopes in tritium containing system can solve many problems arising in the nuclear-fuel cycle. The paper presents the thermodynamics and the kinetics between hydrogen and metal or intermetallic compounds. (author)

First-order metal-insulator transitions in the extended Hubbard model due to self-consistent screening of the effective interaction

Science.gov (United States)

Schüler, M.; van Loon, E. G. C. P.; Katsnelson, M. I.; Wehling, T. O.

2018-04-01

While the Hubbard model is the standard model to study Mott metal-insulator transitions, it is still unclear to what extent it can describe metal-insulator transitions in real solids, where nonlocal Coulomb interactions are always present. By using a variational principle, we clarify this issue for short- and long-range nonlocal Coulomb interactions for half-filled systems on bipartite lattices. We find that repulsive nonlocal interactions generally stabilize the Fermi-liquid regime. The metal-insulator phase boundary is shifted to larger interaction strengths to leading order linearly with nonlocal interactions. Importantly, nonlocal interactions can raise the order of the metal-insulator transition. We present a detailed analysis of how the dimension and geometry of the lattice as well as the temperature determine the critical nonlocal interaction leading to a first-order transition: for systems in more than two dimensions with nonzero density of states at the Fermi energy the critical nonlocal interaction is arbitrarily small; otherwise, it is finite.

Application of metal oxide refractories for melting and casting reactive metals

International Nuclear Information System (INIS)

Jessen, N.C. Jr.; Holcombe, C.E. Jr.; Townsend, A.B.

1979-01-01

Extensive investigations have been conducted to develop metal oxide refractories for containment of molten uranium and uranium alloys. Since uranium and uranium alloys are readily susceptable to the formation of complex oxides, carbides, nitrides, intermetallic compounds, and suboxide reactions, severe problems exist for the production of quality castings. These contamination reactions are dependent on temperature, pressure, and molten metal interfacial reactions. The need for high purity metals to meet specification repeatedly has resulted in the development of improved metal oxide refractories and sophisticated furnace controls. Applications of Y 2 O 3 for use as a crucible and mold coating, precision molds and cores, and high temperature castable ceramics are discussed. Experimental results on melt impurity levels, thermal controls during melting, surface interactions and casting quality are presented

Alkali metal control over N-N cleavage in iron complexes.

Science.gov (United States)

Grubel, Katarzyna; Brennessel, William W; Mercado, Brandon Q; Holland, Patrick L

2014-12-03

Though N2 cleavage on K-promoted Fe surfaces is important in the large-scale Haber-Bosch process, there is still ambiguity about the number of Fe atoms involved during the N-N cleaving step and the interactions responsible for the promoting ability of K. This work explores a molecular Fe system for N2 reduction, particularly focusing on the differences in the results obtained using different alkali metals as reductants (Na, K, Rb, Cs). The products of these reactions feature new types of Fe-N2 and Fe-nitride cores. Surprisingly, adding more equivalents of reductant to the system gives a product in which the N-N bond is not cleaved, indicating that the reducing power is not the most important factor that determines the extent of N2 activation. On the other hand, the results suggest that the size of the alkali metal cation can control the number of Fe atoms that can approach N2, which in turn controls the ability to achieve N2 cleavage. The accumulated results indicate that cleaving the triple N-N bond to nitrides is facilitated by simultaneous approach of least three low-valent Fe atoms to a single molecule of N2.

Determination of heat transfer coefficient for an interaction of sub-cooled gas and metal

International Nuclear Information System (INIS)

Sidek, Mohd Zaidi; Kamarudin, Muhammad Syahidan

2016-01-01

Heat transfer coefficient (HTC) for a hot metal surface and their surrounding is one of the need be defined parameter in hot forming process. This study has been conducted to determine the HTC for an interaction between sub-cooled gas sprayed on a hot metal surface. Both experiments and finite element have been adopted in this work. Initially, the designated experiment was conducted to obtain temperature history of spray cooling process. Then, an inverse method was adopted to calculate the HTC value before we validate in a finite element simulation model. The result shows that the heat transfer coefficient for interaction of subcooled gas and hot metal surface is 1000 W/m 2 K. (paper)

Vesicle fusion with bilayer lipid membrane controlled by electrostatic interaction

Directory of Open Access Journals (Sweden)

Azusa Oshima

2017-09-01

Full Text Available The fusion of proteoliposomes is a promising approach for incorporating membrane proteins in artificial lipid membranes. In this study, we employed an electrostatic interaction between vesicles and supported bilayer lipid membranes (s-BLMs to control the fusion process. We combined large unilamellar vesicles (LUVs containing anionic lipids, which we used instead of proteoliposomes, and s-BLMs containing cationic lipids to control electrostatic interaction. Anionic LUVs were never adsorbed or ruptured on the SiO2 substrate with a slight negative charge, and selectively fused with cationic s-BLMs. The LUVs can be fused effectively to the target position. Furthermore, as the vesicle fusion proceeds and some of the positive charges are neutralized, the attractive interaction weakens and finally the vesicle fusion saturates. In other words, we can control the number of LUVs fused with s-BLMs by controlling the concentration of the cationic lipids in the s-BLMs. The fluidity of the s-BLMs after vesicle fusion was confirmed to be sufficiently high. This indicates that the LUVs attached to the s-BLMs were almost completely fused, and there were few intermediate state vesicles in the fusion process. We could control the position and amount of vesicle fusion with the s-BLMs by employing an electrostatic interaction.

A self-supported metal-organic framework derived Co3O4 film prepared by an in-situ electrochemically assistant process as Li ion battery anodes

Science.gov (United States)

Zhao, Guangyu; Sun, Xin; Zhang, Li; Chen, Xuan; Mao, Yachun; Sun, Kening

2018-06-01

Derivates of metal-organic frameworks are promising materials of self-supported Li ion battery anodes due to the good dispersion of active materials, conductive scaffold, and mass transport channels in them. However, the discontinuous growth and poor adherence of metal-organic framework films on substrates hamper their development in self-supported electrodes. In the present study, cobalt-based metal-organic frameworks are anchored on Ti nanowire arrays through an electrochemically assistant method, and then the metal-organic framework films are pyrolyzed to carbon-containing, porous, self-supported anodes of Li ion battery anodes. Scanning electron microscope images indicate that, a layer cobaltosic oxide polyhedrons inserted by the nanowires are obtained with the controllable in-situ synthesis. Thanks to the good dispersion and adherence of cobaltosic oxide polyhedrons on Ti substrates, the self-supported anodes exhibit remarkable rate capability and durability. They possess a capacity of 300 mAh g-1 at a rate current of 20 A g-1, and maintain 2000 charge/discharge cycles without obvious decay.

Supportive and non-supportive interactions in families with a type 2 diabetes patient

DEFF Research Database (Denmark)

Bennich, Birgitte B; Røder, Michael E; Overgaard, Dorthe

2017-01-01

changes and diabetes self-management. The purpose of this integrative review was to summarise and assess published studies on the intra-family perspective of supportive and non-supportive interactions in families with a type 2 diabetes patient. METHODS: Included in the review were published qualitative......BACKGROUND: Type 2 diabetes and its management affect the patient and the close family potentially causing either psychological distress or increased sense of responsibility and collaboration in these families. Interactions between patient and family play an important role in maintaining lifestyle...... of reference lists. Quality assessment, data extraction and analysis were undertaken on all included studies. RESULTS: We identified five eligible research papers. Employing content analysis three categories describing interactions were refined: Impact of practical action, impact of emotional involvement...

Controlled Metal Detector Mounted on Mine Detection Robot

Directory of Open Access Journals (Sweden)

Seiji Masunaga

2007-06-01

Full Text Available Landmine detection capability of metal detectors is very sensitive to the gap between buried landmines and the sensor heads. Therefore, human deminers manually scan ground surface with the metal detectors in such a manner that the sensor heads follow the ground surface. In case of robots assisted landmine detection, this function can be performed accurately and safely by controlling the gap and attitude of the sensor heads. In this investigation, the effectiveness of the gap and attitude control of the sensor head by some mechanical manipulator on the landmine detection performance has been addressed quantitatively. To this end, the paper describes the development of a Controlled Metal Detector (CMD for controlling the gap and attitude of the sensor head. The CMD generates trajectories of the sensor head from the depth information of the ground surface acquired with 3-D stereovision camera in order to avoid any obstacles and possible impact with the ground, and then tracks the trajectories with a trajectory-tracking controller. The effectiveness and the impact related to the gap and attitude control on the landmine detection performance of the CMD have been demonstrated by experimental studies.

Interaction of Light with Metallized Ultrathin Silicon Membrane

Science.gov (United States)

Shome, Krishanu

Freestanding metallized structures, a few tens of nanometer thick, show promise in creating flow-through sensors, single molecule detectors and novel solar cells. In this thesis we study test structures that are a step towards creating such devices. Finite- difference time-domain simulations have been used to understand and predict the interaction of light with such devices. Porous nanocrystalline silicon membrane is a novel freestanding layer structure that has been used as a platform to fabricate and study sensors and novel slot nanohole devices. Optical mode studies of the sensing structures, together with the method of fabrication inspired the creation of ultrathin freestanding hydrogenated amorphous silicon p-i-n junctions solar cells. All the freestanding structures used in this thesis are just a few tens of nanometers in thicknesses. In the first part of the thesis the sensing properties of the metallized porous nanocrystalline structure are studied. The surprising blueshift associated with the sensing peak is observed experimentally and predicted theoretically with the help of simulations. Polarization dependence of the membranes is predicted and confirmed for angled deposition of metal on the membranes. In the next part, a novel slot structure is fabricated and modeled to study the slot effect in nanohole metal-insulator-metal structures. Atomic layer deposition of alumina is used to conformally deposit alumina within the nanohole to create the slot structure. Simulation models were used to calculate the lowest modal volume of 4x10-5 mum3 for an optimized structure. In the last part of the thesis, freestanding solar cells are fabricated by effectively replacing the porous nanocrystalline silicon layer of the membranes with a hydrogenated amorphous silicon p-i-n junction with metal layers on both sides of the p-i-n junction. The metal layers act both as electrical contacts as well as mirrors for a Fabry Perot cavity resonator. This helps in tuning the

Tubular solid oxide fuel cells with porous metal supports and ceramic interconnections

Science.gov (United States)

Huang, Kevin [Export, PA; Ruka, Roswell J [Pittsburgh, PA

2012-05-08

An intermediate temperature solid oxide fuel cell structure capable of operating at from 600.degree. C. to 800.degree. C. having a very thin porous hollow elongated metallic support tube having a thickness from 0.10 mm to 1.0 mm, preferably 0.10 mm to 0.35 mm, a porosity of from 25 vol. % to 50 vol. % and a tensile strength from 700 GPa to 900 GPa, which metallic tube supports a reduced thickness air electrode having a thickness from 0.010 mm to 0.2 mm, a solid oxide electrolyte, a cermet fuel electrode, a ceramic interconnection and an electrically conductive cell to cell contact layer.

Molecular properties of metal difluorides and their interactions with CO2 and H2O molecules: a DFT investigation.

Science.gov (United States)

Arokiyanathan, Agnes Lincy; Lakshmipathi, Senthilkumar

2017-11-18

A computational study of metal difluorides (MF 2 ; M = Ca to Zn) and their interactions with carbon dioxide and water molecules was performed. The structural parameter values obtained and the results of AIM analysis and energy decomposition analysis indicated that the Ca-F bond is weaker and less ionic than the bonds in the transition metal difluorides. A deformation density plot revealed the stablizing influence of the Jahn-Teller effect in nonlinear MF 2 molecules (e.g., where M= Sc, Ti, Cr). An anaysis of the metal K-edge peaks of the difluorides showed that shifts in the edge energy were due to the combined effects of the ionicity, effective nuclear charge, and the spin state of the metal. The interactions of CO 2 with ScF 2 (Scc3 geometry) and TiF 2 (Tic2 geometry) caused CO 2 to shift from its usual linear geometry to a bent geometry (η 2 (C=O) binding mode), while it retained its linear geometry (η 1 (O) binding mode) when it interacted with the other metal difluorides. Energy decomposition analysis showed that, among the various geometries considered, the Scc3 and Tic2 geometries possessed the highest interaction energies and orbital interaction energies. Heavier transition metal difluorides showed stronger affinities for H 2 O, whereas the lighter transition metal (Sc and Ti) difluorides preferred CO 2 . Overall, the results of this study suggest that fluorides of lighter transition metals with partially filled d orbitals (e.g., Sc and Ti) could be used for CO 2 capture under moist conditions. Graphical abstract Interaction of metal difluorides with carbon dioxide and water.

The Effects of Interactions between Management Control Systems and Strategy on Firm Performance: An Empirical Study

OpenAIRE

Melek Eker; Semih Eker

2016-01-01

In recent years, there has been growing interest in examining the relationships among management control systems, business strategy and firm performance. In this study, the interactions of management control systems and strategy with their impact on firm performance are examined with an empirical analysis, based on the data from 94 manufacturing firms from the top 500 in Turkey in 2014. The results support the postulate that high interaction between interactive control system (ICS) and differ...

The Impact of Task-supported Interactive Feedback on the Accuracy, Fluency, and Organization of Iranian EFL Learners’ Writing

Directory of Open Access Journals (Sweden)

Zohreh Seifoori

2012-05-01

Full Text Available Controversy has not been yet resolved among researchers in second language research over the pedagogical efficacy of feedback in enhancing various features of learners’ writing skill. Research findings highlighting the significance of interactive tasks and learners’ engagement in improving the learning process stimulated the present study, the purpose of which was to explore the effect of task-supported interactive feedback on the accuracy, fluency, and organization of seventy two Iranian English major sophomores at Islamic Azad University-Mashhad Branch. It was hypothesized that engaging learners in both tasks and providing feedback would enhance their writing performance. The participants in three intact classes were randomly assigned to three groups: a control group, with no task (NTG, and two experimental groups: the task-supported group (TG, and the task-supported group with interactive feedback (TFG. Four one way analyses of variance tests were run on the research data indicated that the apparent gain in the task-supported interactive group over the other groups did not reach significance level. However, the TG group outperformed the control group in all three aspects of writing. The findings have pedagogical implications and can be interpreted in terms of socio-cultural characteristics of Iranian students.

Support for Multitasking and background Awareness Using Interactive Peripheral Displays

DEFF Research Database (Denmark)

MacIntyre, Blair; Mynatt, Elizabeth Diane; Voida, Stephen

2001-01-01

n this paper, we describe Kimura, an augmented office environment to support common multitasking practices. Previous systems, such as Rooms, limit users by constraining the interaction to the desktop monitor. In Kimura, we leverage interactive projected peripheral displays to support the perusal...

Interatomic interaction of additive elements and their influence on the processes in the double metal solutions

Directory of Open Access Journals (Sweden)

Марина Анатоліівна Рябікіна

2016-07-01

Full Text Available Modern industry uses a lot of elements as additives to improve the service characteristics of metal products that are to be used for various purposes. These elements can be divided into two groups: the first group includes the elements interacting with iron and improving its characteristics (alloying elements, and the second group includes the elements, that modify the characteristics of the structure and properties in an undesirable direction. These are trace elements: S, P, O, As, and others in steel. The negative impact of these elements shows itself as banding, the formation of non-metallic inclusions, flakes, grain boundary segregations et al. The influence of the elements of the both groups on the properties of steel depends on the nature and level of interatomic interaction in the alloy. Computational and analytical study of the major impurity elements in steel impact on the interatomic bond strength and the probability of forming complexes, clusters, and chemical compounds with the basic alloying elements in the steel has been carried out in the work. The theoretical parameter which defines the strength of the ion-covalent bond of two atoms: non-metallic – metallic is the electronegativity of elements. The electronegativity difference of the metal and non-metallic elements increasing, the ionic bonding and thermodynamic stability of these compounds  increase. On the other hand, concentration of valent electrons is a universal characteristic of an atomic element which determines many of its properties, and especially the energy of interatomic interaction. Energy calculations of pairwise interatomic impurity elements: H, C, N, S, P, As interaction with Fe and major alloying elements in steel: Mn, Cr, Si, V, Al, Ti, W, Cu, Mo, Nb were made. It has been stated that all the impurity elements except phosphorus, hydrogen and arsenic have sufficient high adhesion with the majority of the metal elements in the modern steels. Phosphorus does

Visual analytics of geo-social interaction patterns for epidemic control.

Science.gov (United States)

Luo, Wei

2016-08-10

Human interaction and population mobility determine the spatio-temporal course of the spread of an airborne disease. This research views such spreads as geo-social interaction problems, because population mobility connects different groups of people over geographical locations via which the viruses transmit. Previous research argued that geo-social interaction patterns identified from population movement data can provide great potential in designing effective pandemic mitigation. However, little work has been done to examine the effectiveness of designing control strategies taking into account geo-social interaction patterns. To address this gap, this research proposes a new framework for effective disease control; specifically this framework proposes that disease control strategies should start from identifying geo-social interaction patterns, designing effective control measures accordingly, and evaluating the efficacy of different control measures. This framework is used to structure design of a new visual analytic tool that consists of three components: a reorderable matrix for geo-social mixing patterns, agent-based epidemic models, and combined visualization methods. With real world human interaction data in a French primary school as a proof of concept, this research compares the efficacy of vaccination strategies between the spatial-social interaction patterns and the whole areas. The simulation results show that locally targeted vaccination has the potential to keep infection to a small number and prevent spread to other regions. At some small probability, the local control strategies will fail; in these cases other control strategies will be needed. This research further explores the impact of varying spatial-social scales on the success of local vaccination strategies. The results show that a proper spatial-social scale can help achieve the best control efficacy with a limited number of vaccines. The case study shows how GS-EpiViz does support the design

Implications and control of fuel-cladding chemical interaction for LMFBR fuel pin design

International Nuclear Information System (INIS)

Roake, W.E.

1977-01-01

Fuel-cladding-chemical-interaction (FCCI) is typically incorporated into the design of an LMFBR fuel pin as a wastage allowance. Several interrelated factors are considered during the evolution of an LMFBR fuel pin design. Those which are indirectly affected by FCCI include: allowable pin power, fuel restructuring, fission gas migration and release from the fuel, fuel cracking, fuel swelling, in-reactor cladding creep, cladding swelling, and the cladding mechanical strain. Chemical activity of oxygen is the most readily controlled factor in FCCI. Two methods are being investigated: control of total oxygen inventory by limiting fuel O/M, and control of oxygen activity with buffer metals

Implications and control of fuel-cladding chemical interaction for LMFBR fuel pin design

Energy Technology Data Exchange (ETDEWEB)

Roake, W E [Westinghouse-Hanford Co., Richland, WA (United States)

1977-04-01

Fuel-cladding-chemical-interaction (FCCI) is typically incorporated into the design of an LMFBR fuel pin as a wastage allowance. Several interrelated factors are considered during the evolution of an LMFBR fuel pin design. Those which are indirectly affected by FCCI include: allowable pin power, fuel restructuring, fission gas migration and release from the fuel, fuel cracking, fuel swelling, in-reactor cladding creep, cladding swelling, and the cladding mechanical strain. Chemical activity of oxygen is the most readily controlled factor in FCCI. Two methods are being investigated: control of total oxygen inventory by limiting fuel O/M, and control of oxygen activity with buffer metals.

Upgrading of heavy crude oil with supported and unsupported transition metals

Energy Technology Data Exchange (ETDEWEB)

Nares, H.R.; Schacht-Hernandez, P.; Cabrera-Reyes, M.C.; Ramirez-Garnica, M.; Cazarez-Candia, O. [Instituto Mexicano del Petroleo, Atepehuacan (Mexico)

2006-07-01

Heavy crude oil presents many problems such as difficulty in transportation, low processing capacity in refineries, and low mobility through the reservoir due to high viscosity which affects the index of productivity of the wells. Because of these challenges, it is necessary to enhance heavy crude oil, both aboveground and underground. The effects of several metallic oxides used to upgrade heavy crude oil properties were examined in order to increase the mobility of reservoir oil by reducing viscosity and improving the quality of the oil. This can be accomplished by reducing the asphaltene and sulfur contents and increasing the American Petroleum Institute (API) gravity using transition metal supported in alumina and unsupported from transition metals derived from either acetylacetonate or alkylhexanoate in liquid phase homogeneously mixed with heavy crude oil as well as metal transition supported in alumina. KU-H heavy crude oil from the Golf of Mexico was studied. The results were obtained by Simulated Distillation and True Boiling Point (TBP). It was concluded that the use of crude oil thermal hydrocracking allowed the API gravity to increase and considerably reduce the viscosity. As a result, the productivity index in wells was increased. However there is a high formation of coke that could damage the conductivity of the rock and then reduce the potential of oil recovery. 27 refs., 3 tabs., 5 figs.

FTIR spectroscopy structural analysis of the interaction between Lactobacillus kefir S-layers and metal ions

Science.gov (United States)

Gerbino, E.; Mobili, P.; Tymczyszyn, E.; Fausto, R.; Gómez-Zavaglia, A.

2011-02-01

FTIR spectroscopy was used to structurally characterize the interaction of S-layer proteins extracted from two strains of Lactobacillus kefir (the aggregating CIDCA 8348 and the non-aggregating JCM 5818) with metal ions (Cd +2, Zn +2, Pb +2 and Ni +2). The infrared spectra indicate that the metal/protein interaction occurs mainly through the carboxylate groups of the side chains of Asp and Glut residues, with some contribution of the NH groups belonging to the peptide backbone. The frequency separation between the νCOO - anti-symmetric and symmetric stretching vibrations in the spectra of the S-layers in presence of the metal ions was found to be ca. 190 cm -1 for S-layer CIDCA 8348 and ca. 170 cm -1 for JCM 5818, denoting an unidentate coordination in both cases. Changes in the secondary structures of the S-layers induced by the interaction with the metal ions were also noticed: a general trend to increase the amount of β-sheet structures and to reduce the amount of α-helices was observed. These changes allow the proteins to adjust their structure to the presence of the metal ions at minimum energy expense, and accordingly, these adjustments were found to be more important for the bigger ions.

Oxide-metal corium-concrete interaction test in the Vulcano facility

International Nuclear Information System (INIS)

Journeau, Ch.; Piluso, P.; Haquet, J.F.; Saretta, S.; Boccaccio, E.; Bonnet, J.M.

2007-01-01

Corium is likely to melt through the vessel and interact with the reactor pit concrete. Corium is made of a UO 2 -rich oxidic part, in which most of the decay heat is dissipated, and of a metallic part, mainly molten steel. An experiment has been set up in the Vulcano facility in which oxidic and metallic mixtures are molten in separate furnaces and poured in a concrete cavity. Induction heating is provided to the pool upper part thanks to shielding coils, so that, in case of stratification, the lighter oxidic corium-concrete mixture receives most of the power. Pre-calculations with the TOLBIAC-ICB corium-concrete interaction code based on the phase segregation model have provided valuable information for the dimensioning of this test: a thick metallic layer (>10 kg or 4 cm) has been chosen in order to obtain significant cavity ablation profiles depending on the selected heat transfer and stratification models. Stratification of the two liquid phases is predicted to occur in less than 10 minutes. In September 2006, the experiment was performed in the Vulcano facility. The corium was made of about 15 kg of steel at 1700 C and 30 kg of oxides (70% UO 2 , 16 % ZrO 2 and 14% concrete load) above 2000 C. It was poured in a limestone-rich concrete. This concrete type was selected for the first test, since the ablation is isotropic except for the initial transient, during oxidic corium-concrete interaction tests. 32 kW of induction power have been provided to the pool during the 4-hour test. The destruction of in-concrete thermocouples indicates that ablation was first mainly radial then became isotropic. This is quite similar to the ablation progression observed during previous tests with oxidic corium interacting with this type of concrete. Important 'volcanic activity' has been observed at the corium pool surface, compared to the previous oxidic corium experiments at Vulcano. (authors)

Oxide-metal corium-concrete interaction test in the Vulcano facility

Energy Technology Data Exchange (ETDEWEB)

Journeau, Ch.; Piluso, P.; Haquet, J.F.; Saretta, S.; Boccaccio, E.; Bonnet, J.M. [CEA Cadarache, Severe Accident Mastery experimental Lab. (DEN/DTN/STRI/LMA), 13 - Saint Paul lez Durance (France)

2007-07-01

Corium is likely to melt through the vessel and interact with the reactor pit concrete. Corium is made of a UO{sub 2}-rich oxidic part, in which most of the decay heat is dissipated, and of a metallic part, mainly molten steel. An experiment has been set up in the Vulcano facility in which oxidic and metallic mixtures are molten in separate furnaces and poured in a concrete cavity. Induction heating is provided to the pool upper part thanks to shielding coils, so that, in case of stratification, the lighter oxidic corium-concrete mixture receives most of the power. Pre-calculations with the TOLBIAC-ICB corium-concrete interaction code based on the phase segregation model have provided valuable information for the dimensioning of this test: a thick metallic layer (>10 kg or 4 cm) has been chosen in order to obtain significant cavity ablation profiles depending on the selected heat transfer and stratification models. Stratification of the two liquid phases is predicted to occur in less than 10 minutes. In September 2006, the experiment was performed in the Vulcano facility. The corium was made of about 15 kg of steel at 1700 C and 30 kg of oxides (70% UO{sub 2}, 16 % ZrO{sub 2} and 14% concrete load) above 2000 C. It was poured in a limestone-rich concrete. This concrete type was selected for the first test, since the ablation is isotropic except for the initial transient, during oxidic corium-concrete interaction tests. 32 kW of induction power have been provided to the pool during the 4-hour test. The destruction of in-concrete thermocouples indicates that ablation was first mainly radial then became isotropic. This is quite similar to the ablation progression observed during previous tests with oxidic corium interacting with this type of concrete. Important 'volcanic activity' has been observed at the corium pool surface, compared to the previous oxidic corium experiments at Vulcano. (authors)

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

Directory of Open Access Journals (Sweden)

Christopher D. Taylor

2018-01-01

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

Formation of Ag2, Au2 and AgAu particles on MgO(1 0 0): DFT study on the role of support-induced charge transfer in metal-metal interactions

International Nuclear Information System (INIS)

Fuente, Silvia A.; Belelli, Patricia G.; Branda, Maria M.; Ferullo, Ricardo M.; Castellani, Norberto J.

2009-01-01

The formation of Ag 2 , Au 2 and AgAu particles oriented perpendicularly to the MgO(1 0 0) surface was studied using the density functional theory. While the support induces a slight enhancement of the Ag-Ag bond (by 0.3-0.4 eV), the Au-Au bond is strongly enhanced (by 0.8-1.1 eV). Concerning the bimetallic particle, the Ag-Au bond stabilization depends on the relative position of each atom. Thus, in general terms, the strength of the metal-metal bond is determined by the nature of the terminal atom; the bond is stronger in Au-terminal particles. The partial electronic charge transfer to the terminal Au atom and its ability to polarize this charge are responsible for this energetic stabilization.

Humic acids and their interactions with metallic elements: Cu II, Eu III, Th IV, U VI: contribution of size exclusion chromatography method and research of complexation models

International Nuclear Information System (INIS)

Lesourd-Moulin, V.

1986-04-01

The interest given to natural organic matter (humic and fulvic acids) as complexing agents of metallic ions in soils and natural waters becomes more and more important in environmental area. Cation - humic matter interactions have a great importance, a better understanding of the contribution of these substances in natural media specially towards radioactive elements with long life time. Interactions are studied by a chromatographic technique of gel filtration: the dynamic equilibrium method is based on the separation of the formed complex humic macromolecule - metallic ion and the free metallic ion, which due to its size penetrates totally in the pores of the gel. Separation mechanisms of the chromatographic support and the contribution of each parameter, are studied as a function of the buffer nature, its concentration, the PH, the gel porosity and the valence of the metallic cation. This study led to the determination of the appropriate experimental conditions for each cation. A study of metallic binding with humic acid has been undertaken with Cu 2+ , Eu 3+ , Th 4+ , Uo 2 2+ . These elements, except copper, have been chosen for their properties similar to the transuranic elements. Different samples of humic acids (commercial, podzolic soil, rendzine soil) are also studied. A deeper research of europium - humic acid interactions by means of different treatment models (discrete or gaussian models) has been undertaken in order to determine the number, the binding site strength and the global interaction constants [fr

Children's Achievement Moderates the Effects of Mothers' Use of Control and Autonomy Support

Science.gov (United States)

Fei-Yin Ng, Florrie; Kenney-Benson, Gwen A.; Pomerantz, Eva M.

2004-01-01

Two studies investigated the effects of parents' control and autonomy support on low- and high-achieving children. In Study 1, mothers' (N1=10) involvement with children (7 to 10 years old) in the context of a challenging task was observed. During this interaction, mothers' control predicted diminished engagement and their autonomy support…

Metal ion interaction of an oligopeptide fragment representing the regulatory metal binding site of a CueR protein

DEFF Research Database (Denmark)

Jancsó, Attila; Szokolai, Hajnalka; Roszahegyi, Livia

2013-01-01

Metalloregulatory proteins of the MerR family are transcriptional activators that sense/control the concentration of various metal ions inside bacteria.1 The Cu+ efflux regulator CueR, similarly to other MerR proteins, possesses a short multiple Cys-containing metal binding loop close to the C...... of cognate metal ions.2 Nevertheless, it is an interesting question whether the same sequence, when removed from the protein, shows a flexibility to adopt different coordination environments and may efficiently bind metal ions having preferences for larger coordination numbers....

Synthesis of Thin Film Composite Metal-Organic Frameworks Membranes on Polymer Supports

KAUST Repository

Barankova, Eva

2017-06-01

Since the discovery of size-selective metal-organic frameworks (MOF) researchers have tried to manufacture them into gas separation membranes. ZIF-8 became the most studied MOF for membrane applications mainly because of its simple synthesis, good chemical and thermal stability, recent commercial availability and attractive pore size. The aim of this work is to develop convenient methods for growing ZIF thin layers on polymer supports to obtain defect-free ZIF membranes with good gas separation properties. We present new approaches for ZIF membranes preparation on polymers. We introduce zinc oxide nanoparticles in the support as a secondary metal source for ZIF-8 growth. Initially the ZnO particles were incorporated into the polymer matrix and later on the surface of the polymer by magnetron sputtering. In both cases, the ZnO facilitated to create more nucleation opportunities and improved the ZIF-8 growth compared to the synthesis without using ZnO. By employing the secondary seeded growth method, we were able to obtain thin (900 nm) ZIF-8 layer with good gas separation performance. Next, we propose a metal-chelating polymer as a suitable support for growing ZIF layers. Defect-free ZIF-8 films with a thickness of 600 nm could be obtained by a contra-diffusion method. ZIF-8 membranes were tested for permeation of hydrogen and hydrocarbons, and one of the highest selectivities reported so far for hydrogen/propane, and propylene/propane was obtained. Another promising method to facilitate the growth of MOFs on polymeric supports is the chemical functionalization of the support surface with functional groups, which can complex metal ions and which can covalently bond the MOF crystals. We functionalized the surface of a common porous polymeric membrane with amine groups, which took part in the reaction to form ZIF-8 nanocrystals. We observed an enhancement in adhesion between the ZIF layer and the support. The effect of parameters of the contra-diffusion experiment

Requirements for user interaction support in future CACE environments

DEFF Research Database (Denmark)

Ravn, Ole; Szymkat, M.

1994-01-01

Based on a review of user interaction modes and the specific needs of the CACE domain the paper describes requirements for user interaction in future CACE environments. Taking another look at the design process in CACE key areas in need of more user interaction support are pointed out. Three...

Influences of species of metals and supports on the hydrogenation activity of carbon-supported metal sulfides catalysts; Tanso biryushi tanji shokubai no suisoka kassei ni taisuru kassei kinzoku oyobi tantaishu no eikyo

Energy Technology Data Exchange (ETDEWEB)

Sakanishi, K.; Hasuo, H.; Taniguchi, H.; Nagamatsu, T.; Mochida, I. [Kyushu University, Fukuoka (Japan). Institute of Advanced Material Study

1996-10-28

In order to design catalysts suitable for primary liquefaction stage and secondary upgrading stage respectively in the multi-stage liquefaction process, various carbon-supported catalysts were prepared. Catalytic activities of them were investigated for the hydrogenation of 1-methylnaphthalene, to discuss the influences of metals and carbon species on the catalytic activity. Various water soluble and oil soluble Mo and Ni salts were used for NiMo supported catalysts. Among various carbon supports, Ketjen Black (KB) was effective for preparing the catalyst showing the most excellent hydrogenation activity. The KB and Black Pearl 2000 (BP2000) showing high hydrogenation activity were fine particles having high specific surface area more than 1000 m{sup 2}/g and primary particle diameter around 30 nm. This was inferred to contribute to the high dispersion support of active metals. Since such fine particles of carbon exhibited hydrophobic surface, they were suitable for preparing catalysts from the methanol-soluble metals. Although Ni and Mo added iron-based catalysts provided lower aromatic hydrogenation activity, they exhibited liquefaction activity competing with the NiMo/KB catalyst. 3 refs., 1 fig., 3 tabs.

The interaction of metal carbonyl compounds with organic polymers and monomers

OpenAIRE

Lyons, Michael P.

1993-01-01

The photochemistry of W(CO)6, Mo(CO)6, and Cr(CO)6 in the presence of monomeric and polymeric triphenylphosphine ligands was investigated in toluene solution, using laser flash photolysis with 355nm excitation. The mechanism and kinetics of interaction of the primary photoproducts M(CO)5(toluene) (M = W, Mo, or Cr) with the various monomeric ligands were investigated. Interaction of the metal carbonyl photofragments with various homopolymers is also discussed. The polymerisation methods used ...

Sum-frequency generation spectroscopy on metals, oxides, and oxide-supported metal particles; Summenfrequenzerzeugungsspektroskopie an Metallen, Oxiden und oxidgetraegerten Metallpartikeln

Energy Technology Data Exchange (ETDEWEB)

Aumer, Andreas

2010-06-21

This thesis focuses on 4 different model systems of surface science. The experimental techniques used for the measurements include sum frequency generation (SFG), thermal desorption spectroscopy (TDS), low energy electron diffraction (LEED), Auger electron spectroscopy (AES), infrared adsorption spectrosocopy (IRAS) and scanning tunneling microscopy (STM). By using SFG, measurements could be performed up to a pressure of 50 mbar. The systems under investigation were: CO on Pt(111), water on Ag(001) and on MgO/Ag(001), CO on Au/MgO/Ag(001), and CO on Au-Pd/MgO/Ag(001). The system of CO on Pt(111) exhibits a two peak-pattern under certain pressure and temperature conditions which has not been studied so far. Various experiments helped to elucidate the origin of this distinct behaviour. The measurements of water on Ag(001) and MgO/Ag(001) show that on MgO, water first adsorbs as a monolayer with a following multilayer, whereas on Ag(001) it adsorbs as a multilayer from the beginning. The monolayer can be studied below the multilayer and some resonances can be identified. For the case of Au/MgO/Ag(001), STM shows that the growth mode of Au depends on the thickness of the supporting MgO film, which can not be seen with spectroscopic methods. For mixed Au-Pd particles on MgO/Ag(001) a clear difference in the adsorption behaviour between pure metal particles and mixed particles can be seen, which is explained by an interaction between these metals. Annealing the mixed particles to 600 K leads to a segregation of the metals, where the Au atoms diffuse to the shell and the Pd atoms make up the core. The results of all these measurements are discussed in the light of recent publications. (orig.)

Metal Oxide-Supported Platinum Overlayers as Proton-Exchange Membrane Fuel Cell Cathodes

DEFF Research Database (Denmark)

Tripkovic, Vladimir; Abild-Pedersen, Frank; Studt, Felix

2012-01-01

We investigated the activity and stability of n=(1, 2, 3) platinum layers supported on a number of rutile metal oxides (MO2; M=Ti, Sn, Ta, Nb, Hf and Zr). A suitable oxide support can alleviate the problem of carbon corrosion and platinum dissolution in Pt/C catalysts. Moreover, it can increase t...

Incorporation of metal bioavailability into regulatory frameworks-metal exposure in water and sediment

Energy Technology Data Exchange (ETDEWEB)

Ahlf, Wolfgang [Inst. of Environmental Tech. and Energy Economics, TUHH, Hamburg (Germany); Drost, Wiebke [Umweltpruefung Chemikalien IV, Umweltbundesamt, Dessau (Germany); Heise, Susanne [Dept. of Life Sciences, HAW, Hamburg (Germany)

2009-10-15

Background, aim, and scope The cause for this position paper is the impression that risk assessors consider primarily the concentration of free metal ions dissolved in solution controlling metal bioavailability in aquatic systems. Aiming at a more realistic risk assessment of metals, bioavailability has to be discussed under the scope of main uptake routes of metals to organisms. Materials and methods On the basis of a review on the literature relating to bioavailability approaches, this work discusses the incorporation of metal bioavailability into the risk assessment of metals in the context of metal exposure. Results The biotic ligand model (BLM) and the concept of sulfide bound metals described by the ratio of simultaneously extracted metals and acid volatile sulfide concept (AVS) have been developed to consider the bioavailability of metals. Both approaches assume that the free ion concentration is the most relevant exposure pathway. However, apart from geochemical conditions, which control free metal concentration, bioavailability is additionally a result of contaminant/particle interaction and of organisms' activity. Asking for the relevant exposure pathways for inorganic metals to organisms, the compartments' water and sediment have been evaluated and also the importance of contaminated food. (orig.)

Spectral asymptotics of a strong δ′ interaction supported by a surface

International Nuclear Information System (INIS)

Exner, Pavel; Jex, Michal

2014-01-01

Highlights: • Attractive δ ′ interactions supported by a smooth surface are considered. • Surfaces can be either infinite and asymptotically planar, or compact and closed. • Spectral asymptotics is determined by the geometry of the interaction support. - Abstract: We derive asymptotic expansion for the spectrum of Hamiltonians with a strong attractive δ ′ interaction supported by a smooth surface in R 3 , either infinite and asymptotically planar, or compact and closed. Its second term is found to be determined by a Schrödinger type operator with an effective potential expressed in terms of the interaction support curvatures

Porous Fe21Cr7Al1Mo0.5Y metal supports for oxygen transport membranes: Thermo-mechanical properties, sintering and corrosion behaviour

DEFF Research Database (Denmark)

Glasscock, Julie; Mikkelsen, Lars; Persson, Åsa Helen

2013-01-01

and creep rates are sufficiently low. Ceramic interlayers with graded porosity and pore-size were applied and co-fired with the metal supports, producing substrates that were shown to be viable for a 3 μm dense Ce 0.8Gd0.2O1.9 - δ oxygen transport membrane deposited using sputtering. © 2013 Elsevier B.V....... are optimised simultaneously in-situ during sintering by controlling the growth rate of the oxide scale. Oxidation of metal supports with 20-40% porosity at 850 C and oxygen partial pressure of 10- 11 kPa showed sub-parabolic kinetics and stability over 3000 h. The FeCrAl steel shows vastly superior oxidation...... resistance compared with an FeCr steel of similar composition and porosity. Modelling of the alloy lifetime as a function of surface area and Al-content was performed, and lifetimes over 30 000 h are predicted for a metal support with 30% porosity operating at a temperature of 750 C, where the oxidation...

Oxygen Switching of the Epitaxial Graphene-Metal Interaction

DEFF Research Database (Denmark)

Larciprete, Rosanna; Ulstrup, Søren; Lacovig, Paolo

2012-01-01

as on clean Ir(111), giving only a slightly higher oxygen coverage. Upon lifting, the C 1s signal shows a downshift in binding energy, due to the charge transfer to graphene from the oxygen-covered metal surface. Moreover, the characteristic spectral signatures of the graphenesubstrate interaction...... in the valence band are removed, and the spectrum of strongly hole-doped, quasi free-standing graphene with a single Dirac cone around the K point is observed. The oxygen can be deintercalated by annealing, and this process takes place at around T = 600 K, in a rather abrupt way. A small amount of carbon atoms...... demonstrate that oxygen intercalation is an efficient method for fully decoupling an extended layer of graphene from a metal substrate, such as Ir(111). They pave the way for the fundamental research on graphene, where extended, ordered layers of free-standing graphene are important and, due to the stability...

Toxicological interactions of silver nanoparticles and non-essential metals in human hepatocarcinoma cell line

DEFF Research Database (Denmark)

Miranda, Renata Rank; Bezerra, Arandi Ginane; Ribeiro, Ciro Alberto Oliveira

2017-01-01

Toxicological interaction represents a challenge to toxicology, particularly for novel contaminants. There are no data whether silver nanoparticles (AgNPs), present in a wide variety of products, can interact and modulate the toxicity of ubiquitous contaminants, such as nonessential metals. In th...

Spray pyrolysis synthesis of γ-Al_2O_3 supported metal and metal phosphide catalysts and their activity in the hydrodeoxygenation of a bio-oil model compound

International Nuclear Information System (INIS)

Ly, Hoang Vu; Im, Kyungmin; Go, Youngchae; Galiwango, Emmanuel; Kim, Seung-Soo; Kim, Jinsoo; Choi, Jae Hyung; Woo, Hee Chul

2016-01-01

Highlights: • Spherical γ-Al_2O_3 supported metal and metal phosphide catalysts were synthesized by spray pyrolysis method. • Hydrodeoxygenation (HDO) of 2-furyl methyl ketone (FMK) was conducted using metal/metal phosphide catalysts. • FMK was converted into 2-allyl furan and methyl cyclohexane. • The highest FMK conversion of 83% was achieved over 10 wt% Ni/γ-Al_2O_3 catalysts at reaction temperature of 400 °C. - Abstract: In this study, spherical γ-Al_2O_3 supported metal and metal phosphide (Ni, Co, Ni_2P and CoP) catalysts were successfully prepared by combining sol-gel and spray pyrolysis methods. First boehmite sol was prepared based on the Yoldas process and then the corresponding metal salts were added to the sol at the desired concentration, followed by spray pyrolysis of the mixed solution. As the well-mixed solution was transformed to spherical γ-Al_2O_3 supported metal and metal phosphide catalysts during spray pyrolysis process, the metal species were uniformly distributed in the mesoporous γ-Al_2O_3 supports. The product catalysts were investigated under different conditions for hydrodeoxygenation of bio-oil model compound, 2-furyl methyl ketone (FMK), which is the main component of the bio-oil product from pyrolysis of Saccharina japonica. Among the investigated catalysts, the 10 wt% Ni/γ-Al_2O_3 catalyst after calcination at 800 °C showed the highest FMK conversion of 83.02% at the reaction temperature of 400 °C. The gas and liquid products were analyzed by gas chromatography (GC) with TCD/FID detectors and GC–MS, respectively, to determine the product compositions.

Theory of defect interactions in metals

International Nuclear Information System (INIS)

Thetford, Roger.

1989-09-01

The state relaxation program DEVIL has been updated to use N-body Finnis-Sinclair potentials. Initial calculations of self-interstitial and monovacancy formation energies confirm that the modified program is working correctly. An extra repulsive pair potential (constructed to leave the original fitting unaltered) overcomes some deficiencies in the published Finnis-Sinclair potentials. The modified potentials are used to calculate interstitial energies and relaxation in the b.c.c. transition metals vanadium, niobium, tantalum, molybdenum and tungsten. Further adaptation enables DEVIL to model dislocations running parallel to any lattice vector. Periodic boundary conditions are applied in the direction of the dislocation line, giving an infinite straight dislocation. The energies per unit length of two different dislocations are compared with experiment. A study of migration of point defects in the perfect lattice provides information on the mobility of interstitials and vacancies. The total energy needed to form and migrate an interstitial is compared with that required for a vacancy. The interaction between point defects and dislocations is studied in detail. Binding energies for both self-interstitials and monovacancies at edge dislocations are calculated for the five metals. Formation energies of the point defects in the neighbourhood of the edge dislocation are calculated for niobium, and the extend of the regions from which the defects are spontaneously absorbed are found. (author)

Controlled interactions between anhydrous keggin-type heteropolyacids and silica support: Preparation and characterization of well-defined silica-supported polyoxometalate species

KAUST Repository

Grinenval, Eva

2010-11-11

Anhydrous Keggin-type phosphorus heteropolyacids were deposited on partially dehydroxylated silica by using the surface organometallic chemistry (SOMC) strategy. The resulting solids were characterized by a combination of physicochemical methods including IR, Raman, 1D and 2D 1H, and 31P MAS NMR, electron microscopy experiments and density functional theory (DFT) calculations. It is shown that the main surface species is [ - Si(OH...H+)]2[H+]1[PM 12O403-] where the polyoxometalate is linked to the support by proton interaction with two silanols. Two other minor species (10% each) are formed by coordination of the polyoxometalate to the surface via the interaction between all three protons with three silanol groups or via three covalent bonds formed by dehydroxylation of the above species. Comparison of the reactivity of these solids and of compounds prepared by a classical way shows that the samples prepared by the SOMC approach contain ca. 7 times more acid sites. © 2010 American Chemical Society.

Oxygen-enabled control of Dzyaloshinskii-Moriya Interaction in ultra-thin magnetic films

KAUST Repository

Belabbes, Abderrezak

2016-04-22

The search for chiral magnetic textures in systems lacking spatial inversion symmetry has attracted a massive amount of interest in the recent years with the real space observation of novel exotic magnetic phases such as skyrmions lattices, but also domain walls and spin spirals with a defined chirality. The electrical control of these textures offers thrilling perspectives in terms of fast and robust ultrahigh density data manipulation. A powerful ingredient commonly used to stabilize chiral magnetic states is the so-called Dzyaloshinskii-Moriya interaction (DMI) arising from spin-orbit coupling in inversion asymmetric magnets. Such a large antisymmetric exchange has been obtained at interfaces between heavy metals and transition metal ferromagnets, resulting in spin spirals and nanoskyrmion lattices. Here, using relativistic first-principles calculations, we demonstrate that the magnitude and sign of DMI can be entirely controlled by tuning the oxygen coverage of the magnetic film, therefore enabling the smart design of chiral magnetism in ultra-thin films. We anticipate that these results extend to other electronegative ions and suggest the possibility of electrical tuning of exotic magnetic phases.

Metal-support interaction: The key factor governing activity of Pd/SnO2 catalyst for denitration of ground water

Directory of Open Access Journals (Sweden)

Bošković Goran C.

2008-01-01

Full Text Available Two mesoporous nanocristalline Pd/SnO2 catalysts were prepared by modified solgel technique differing in the pH conditions (pH = 2 and 9.5 of the synthesis of their supports. Samples achieved different activity and selectivity in water denitration reaction using hydrogen. XPS results of reduced samples indicate a strong interaction between the Pd and the Sn possibly as a result of electron shift from Sn to Pd. The solid solution of Pd2+ and SnO2 is formed by taking O from the surface of the support. In such a way some SnO2-X species may stay onto the surface and be responsible for its pronounced activity.

Ordinary Social Interaction and the Main Effect Between Perceived Support and Affect.

Science.gov (United States)

Lakey, Brian; Vander Molen, Randy J; Fles, Elizabeth; Andrews, Justin

2016-10-01

Relational regulation theory hypothesizes that (a) the main effect between perceived support and mental health primarily reflects ordinary social interaction rather than conversations about stress and how to cope with it, and (b) the extent to which a provider regulates a recipient's mental health primarily reflects the recipient's personal taste (i.e., is relational), rather than the provider's objective supportiveness. In three round-robin studies, participants rated each other on supportiveness and the quality of ordinary social interaction, as well as their own affect when interacting with each other. Samples included marines about to deploy to Afghanistan (N = 100; 150 dyads), students sharing apartments (N = 64; 96 dyads), and strangers (N = 48; 72 dyads). Perceived support and ordinary social interaction were primarily relational, and most of perceived support's main effect on positive affect was redundant with ordinary social interaction. The main effect between perceived support and affect emerged among strangers after brief text conversations, and these links were partially verified by independent observers. Findings for negative affect were less consistent with theory. Ordinary social interaction appears to be able to explain much of the main effect between perceived support and positive affect. © 2015 Wiley Periodicals, Inc.

Adaptive neuro-fuzzy control of ionic polymer metal composite actuators

International Nuclear Information System (INIS)

Thinh, Nguyen Truong; Yang, Young-Soo; Oh, Il-Kwon

2009-01-01

An adaptive neuro-fuzzy controller was newly designed to overcome the degradation of the actuation performance of ionic polymer metal composite actuators that show highly nonlinear responses such as a straightening-back problem under a step excitation. An adaptive control algorithm with the merits of fuzzy logic and neural networks was applied for controlling the tip displacement of the ionic polymer metal composite actuators. The reference and actual displacements and the change of the error with the electrical inputs were recorded to generate the training data. These data were used for training the adaptive neuro-fuzzy controller to find the membership functions in the fuzzy control algorithm. Software simulation and real-time experiments were conducted by using the Simulink and dSPACE environments. Present results show that the current adaptive neuro-fuzzy controller can be successfully applied to the reliable control of the ionic polymer metal composite actuator for which the performance degrades under long-time actuation

Development and Implementation of an Interactive Text Messaging Campaign to Support Behavior Change in a Childhood Obesity Randomized Controlled Trial.

Science.gov (United States)

Price, Sarah; Ferisin, Stephanie; Sharifi, Mona; Steinberg, David; Bennett, Gary; Wolin, Kathleen Y; Horan, Christine; Koziol, Renata; Marshall, Richard; Taveras, Elsie M

2015-01-01

Text messaging is a promising means of intervening on an array of health issues among varied populations, but little has been published about the development of such interventions. The authors describe the development and implementation of an interactive text messaging campaign for parents to support behavior change among children in a childhood obesity randomized controlled trial. The authors invited 160 parents to participate in a text messaging intervention that provided behavior change support in conjunction with health coaching phone calls and mailed materials on behavioral goals. Throughout the 1-year intervention, the authors sent 1-2 text messages per week. The first asked how the child did with a target behavior the day before; parents who replied received an immediate feedback message tailored to their response. The second included a tip about how to work toward a behavioral goal. Baseline surveys indicate that text messaging is a common means of communication for parents, and many are willing to use text messaging to support behavior change for their child. Results at 1 year indicate a high level of engagement with the text messaging intervention, with nearly two thirds responding to 75% or more of the questions they were sent by text.

Studies on selected organic-metal interactions of importance in the environment

International Nuclear Information System (INIS)

Mason, Ian.

1995-10-01

This research project investigated the interaction between natural organics acids and selected metal ions. The aims of the project was to provide quantitative data on the speciation of metal ions when placed in systems containing natural organic acids. It was envisaged that such data will assist in the risk assessment of the Drigg low level waste site in Cumbria. The formation and complexing ability of these natural organic acids is discussed and the classing of these acids into high molecular weight organic acids and low molecular weight organic acids. Initial investigations used a potentiometric technique to study the interaction between nickel and europium and selected low molecular weight organic acids which were thought to occur in significant concentrations in soils and groundwaters. These experiments confirmed existing critically assessed literature values, and provided an experimental methodology for further 'in-house' measurement of such values. In addition, studies were also performed on systems containing two competing organic acids. (author)

Solid polymer electrolyte composite membrane comprising a porous support and a solid polymer electrolyte including a dispersed reduced noble metal or noble metal oxide

Science.gov (United States)

Liu, Han; Mittelsteadt, Cortney K; Norman, Timothy J; Griffith, Arthur E; LaConti, Anthony B

2015-02-24

A solid polymer electrolyte composite membrane and method of manufacturing the same. According to one embodiment, the composite membrane comprises a thin, rigid, dimensionally-stable, non-electrically-conducting support, the support having a plurality of cylindrical, straight-through pores extending perpendicularly between opposing top and bottom surfaces of the support. The pores are unevenly distributed, with some or no pores located along the periphery and more pores located centrally. The pores are completely filled with a solid polymer electrolyte, the solid polymer electrolyte including a dispersed reduced noble metal or noble metal oxide. The solid polymer electrolyte may also be deposited over the top and/or bottom surfaces of the support.

Potentiometric and spectroscopic study of the interaction of 3d transition metal ions with inositol hexakisphosphate

Science.gov (United States)

Veiga, Nicolás; Macho, Israel; Gómez, Kerman; González, Gabriel; Kremer, Carlos; Torres, Julia

2015-10-01

Among myo-inositol phosphates, the most abundant in nature is the myo-inositol hexakisphosphate, InsP6. Although it is known to be vital to cell functioning, the biochemical research into its metabolism needs chemical and structural analysis of all the protonation, complexation and precipitation processes that it undergoes in the biological media. In view of its high negative charge at physiological level, our group has been leading a thorough research into the InsP6 chemical and structural behavior in the presence of the alkali and alkaline earth metal ions essential for life. The aim of this article is to extend these studies, dealing with the chemical and structural features of the InsP6 interaction with biologically relevant 3d transition metal ions (Fe(II), Fe(III), Mn(II), Co(II), Ni(II), Cu(II) and Zn(II)), in a non-interacting medium and under simulated physiological conditions. The metal-complex stability constants were determined by potentiometry, showing under ligand-excess conditions the formation of mononuclear species in different protonation states. Under metal ion excess, polymetallic species were detected for Fe(II), Fe(III), Zn(II) and Cu(II). Additionally, the 31P NMR and UV-vis spectroscopic studies provided interesting structural aspects of the strong metal ion-InsP6 interaction.

Atmospheric heavy metals and Arsenic in China: Situation, sources and control policies

Science.gov (United States)

Duan, Jingchun; Tan, Jihua

2013-08-01

In recent years, heavy metal pollution accidents were reported frequently in China. The atmospheric heavy metal pollution is drawing all aspects of attention. This paper summarizes the recent research results from our studies and previous studies in recent years in China. The level, temporal variation, seasonal variation and size distribution of the heavy metals of atmospheric Lead(Pb), Vanadium(V), Manganese(Mn), Nickel(Ni), Chromium(Cr), Cadmium(Cd), Copper(Cu), Zinc(Zn) and Arsenic(As) were characterized in China. The emission characteristics and sources of atmospheric heavy metals and As in China were reviewed. Coal burning, iron and steel industry and vehicle emission are important sources in China. Control policies and effects in China were reviewed including emission standards, ambient air quality standards, phase out of leaded gasoline and so on, and further works for atmospheric heavy metals control were suggested. The comprehensive heavy metals pollution control measures and suggestions were put forward based on the summarization of the development and experience of the atmospheric heavy metal pollution control abroad.

Microtransfer printing of metal ink patterns onto plastic substrates utilizing an adhesion-controlled polymeric donor layer

International Nuclear Information System (INIS)

Park, Ji-Sub; Choi, Jun-Chan; Park, Min-Kyu; Bae, Jeong Min; Bae, Jin-Hyuk; Kim, Hak-Rin

2016-01-01

We propose a method for transfer-printed electrode patterns onto flexible/plastic substrates, specifically intended for metal ink that requires a high sintering temperature. Typically, metal-ink-based electrodes cannot be picked up for microtransfer printing because the adhesion between the electrodes and the donor substrate greatly increases after the sintering process due to the binding materials. We introduced a polymeric donor layer between the printed electrodes and the donor substrate and effectively reduced the adhesion between the Ag pattern and the polymeric donor layer by controlling the interfacial contact area. After completing a wet-etching process for the polymeric donor layer, we obtained Ag patterns supported on the fine polymeric anchor structures; the Ag patterns could be picked up onto the stamp surface even after the sintering process by utilizing the viscoelastic properties of the elastomeric stamp with a pick-up velocity control. The proposed method enables highly conductive metal-ink-based electrode patterns to be applied on thermally weak plastic substrates via an all-solution process. Metal electrodes transferred onto a film showed superior electrical and mechanical stability under the bending stress test required for use in printed flexible electronics. (paper)

Interaction between Nafion ionomer and noble metal catalyst for PEMFCs

DEFF Research Database (Denmark)

Andersen, Shuang Ma

The implement of polymer impregnation in electrode structure (catalyst layer) decreasing the noble metal catalyst loading by a factor of ten , , is one of the essential mile stones in the evolution of Proton Exchange Membrane Fuel Cells’ development among the application of catalyst support and e...

Separation of some metal ions using coupled transport supported liquid membranes

International Nuclear Information System (INIS)

Chaudhary, M.A.

1993-01-01

Liquid membrane extraction processes has become very popular due to their superiority in many ways over other separation techniques. In coupled transport membranes the metal ions can be transported across the membrane against their concentration gradient under the influence of chemical potential difference. Liquid membranes consisting of a carrier-cum-diluent, supported in microporous polymeric hydrophobic films have been studied for transport of metal ions like U(VI), Cr(VI), Be(II), V(V), Ti(IV), Zn(II), Cd(II), Hf(IV), W(VI), and Co(II). The present paper presents basic data with respect to flux and permeabilities of these metal ions across membranes based on experimental results and theoretical equations, using different carriers and diluents and provides a brief reference to possibility of such membranes for large scale applications. (author)

Type 2 Diabetes Education and Support in a Virtual Environment: A Secondary Analysis of Synchronously Exchanged Social Interaction and Support.

Science.gov (United States)

Lewinski, Allison A; Anderson, Ruth A; Vorderstrasse, Allison A; Fisher, Edwin B; Pan, Wei; Johnson, Constance M

2018-02-21

Virtual environments (VEs) facilitate interaction and support among individuals with chronic illness, yet the characteristics of these VE interactions remain unknown. The objective of this study was to describe social interaction and support among individuals with type 2 diabetes (T2D) who interacted in a VE. Data included VE-mediated synchronous conversations and text-chat and asynchronous emails and discussion board posts from a study that facilitated interaction among individuals with T2D and diabetes educators (N=24) in 2 types of sessions: education and support. VE interactions consisted of communication techniques (how individuals interact in the VE), expressions of self-management (T2D-related topics), depth (personalization of topics), and breadth (number of topics discussed). Individuals exchanged support more often in the education (723/1170, 61.79%) than in the support (406/1170, 34.70%) sessions or outside session time (41/1170, 3.50%). Of all support exchanges, 535/1170 (45.73%) were informational, 377/1170 (32.22%) were emotional, 217/1170 (18.55%) were appraisal, and 41/1170 (3.50%) were instrumental. When comparing session types, education sessions predominately provided informational support (357/723, 49.4%), and the support sessions predominately provided emotional (159/406, 39.2%) and informational (159/406, 39.2%) support. VE-mediated interactions resemble those in face-to-face environments, as individuals in VEs engage in bidirectional exchanges with others to obtain self-management education and support. Similar to face-to-face environments, individuals in the VE revealed personal information, sought information, and exchanged support during the moderated education sessions and unstructured support sessions. With this versatility, VEs are able to contribute substantially to support for those with diabetes and, very likely, other chronic diseases. ©Allison A Lewinski, Ruth A Anderson, Allison A Vorderstrasse, Edwin B Fisher, Wei Pan, Constance

Singular interactions supported by embedded curves

International Nuclear Information System (INIS)

Kaynak, Burak Tevfik; Turgut, O Teoman

2012-01-01

In this work, singular interactions supported by embedded curves on Riemannian manifolds are discussed from a more direct and physical perspective, via the heat kernel approach. We show that the renormalized problem is well defined, the ground state is finite and the corresponding wavefunction is positive. The renormalization group invariance of the model is also discussed. (paper)

Metal-silicon reaction rates - The effects of capping

Science.gov (United States)

Weizer, Victor G.; Fatemi, Navid S.

1989-01-01

Evidence is presented showing that the presence of the commonly used anti-reflection coating material Ta2O5 on the free surface of contact metallization can either suppress or enhance, depending on the system, the interaction that takes place at elevated temperatures between the metallization and the underlying Si. The cap layer is shown to suppress both the generation and annihilation of vacancies at the free surface of the metal which are necessary to support metal-Si interactons. Evidence is also presented indicating that the mechanical condition of the free metal surface has a significant effect on the metal-silicon reaction rate.

An Interactive Astronaut-Robot System with Gesture Control

Directory of Open Access Journals (Sweden)

Jinguo Liu

2016-01-01

Full Text Available Human-robot interaction (HRI plays an important role in future planetary exploration mission, where astronauts with extravehicular activities (EVA have to communicate with robot assistants by speech-type or gesture-type user interfaces embedded in their space suits. This paper presents an interactive astronaut-robot system integrating a data-glove with a space suit for the astronaut to use hand gestures to control a snake-like robot. Support vector machine (SVM is employed to recognize hand gestures and particle swarm optimization (PSO algorithm is used to optimize the parameters of SVM to further improve its recognition accuracy. Various hand gestures from American Sign Language (ASL have been selected and used to test and validate the performance of the proposed system.

Molten metal feed system controlled with a traveling magnetic field

Science.gov (United States)

Praeg, Walter F.

1991-01-01

A continuous metal casting system in which the feed of molten metal is controlled by means of a linear induction motor capable of producing a magnetic traveling wave in a duct that connects a reservoir of molten metal to a caster. The linear induction motor produces a traveling magnetic wave in the duct in opposition to the pressure exerted by the head of molten metal in the reservoir so that p.sub.c =p.sub.g -p.sub.m where p.sub.c is the desired pressure in the caster, p.sub.g is the gravitational pressure in the duct exerted by the force of the head of molten metal in the reservoir, and p.sub.m is the electromagnetic pressure exerted by the force of the magnetic field traveling wave produced by the linear induction motor. The invention also includes feedback loops to the linear induction motor to control the casting pressure in response to measured characteristics of the metal being cast.

Metallic metasurfaces for high efficient polarization conversion control in transmission mode.

Science.gov (United States)

Li, Tong; Hu, Xiaobin; Chen, Huamin; Zhao, Chen; Xu, Yun; Wei, Xin; Song, Guofeng

2017-10-02

A high efficient broadband polarization converter is an important component in integrated miniaturized optical systems, but its performances is often restricted by the material structures, metallic metasurfaces for polarization control in transmission mode never achieved efficiency above 0.5. Herein, we theoretically demonstrate that metallic metasurfaces constructed by thick cross-shaped particles can realize a high efficient polarization transformation over a broadband. We investigated the resonant properties of designed matesurfaces and found that the interaction between double FP cavity resonances and double bulk magnetic resonances is the main reason to generate a high transmissivity over a broadband. In addition, through using four resonances effect and tuning the anisotropic optical response, we realized a high efficient (> 0.85) quarter-wave plate at the wavelength range from 1175nm to 1310nm and a high efficient (> 0.9) half-wave plate at the wavelength range from 1130nm to 1230nm. The proposed polarization converters may have many potential applications in integrated polarization conversion devices and optical data storage systems.

Advanced liquid metal reactor plant control system

International Nuclear Information System (INIS)

Dayal, Y.; Wagner, W.; Zizzo, D.; Carroll, D.

1993-01-01

The modular Advanced Liquid Metal Reactor (ALMR) power plant is controlled by an advanced state-of-the-art control system designed to facilitate plant operation, optimize availability, and protect plant investment. The control system features a high degree of automatic control and extensive amount of on-line diagnostics and operator aids. It can be built with today's control technology, and has the flexibility of adding new features that benefit plant operation and reduce O ampersand M costs as the technology matures

Dispersion coefficients for H and He interactions with alkali-metal and alkaline-earth-metal atoms

International Nuclear Information System (INIS)

Mitroy, J.; Bromley, M.W.J.

2003-01-01

The van der Waals coefficients C 6 , C 8 , and C 10 for H and He interactions with the alkali-metal (Li, Na, K, and Rb) and alkaline-earth-metal (Be, Mg, Ca, and Sr) atoms are determined from oscillator strength sum rules. The oscillator strengths were computed using a combination of ab initio and semiempirical methods. The dispersion parameters generally agree with close to exact variational calculations for Li-H and Li-He at the 0.1% level of accuracy. For larger systems, there is agreement with relativistic many-body perturbation theory estimates of C 6 at the 1% level. These validations for selected systems attest to the reliability of the present dispersion parameters. About half the present parameters lie within the recommended bounds of the Standard and Certain compilation [J. Chem. Phys. 83, 3002 (1985)

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

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

Science.gov (United States)

Chakraborty, Debdutta; Chattaraj, Pratim Kumar

2017-10-01

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

Sinter-Resistant Platinum Catalyst Supported by Metal-Organic Framework

Energy Technology Data Exchange (ETDEWEB)

Kim, In Soo [Materials Science Division, Argonne National Lab, 9700 S Cass Ave. Argonne IL 60439 USA; Nanophotonics Center, Korea Institute of Science and Technology, Seoul 02792 South Korea; Li, Zhanyong [Department of Chemistry, Northwestern University, 2145 Sheridan Rd. Evanston IL 60208 USA; Zheng, Jian [Institute for Integrated Catalysis, Pacific Northwest National Lab, P.O. Box 999 Richland WA 99352 USA; Platero-Prats, Ana E. [X-ray Science Division, Argonne National Lab, 9700 S Cass Ave. Argonne IL 60439 USA; Mavrandonakis, Andreas [Department of Chemistry, University of Minnesota, 207 Pleasant St. SE Minneapolis MN 55455 USA; Pellizzeri, Steven [Chemical and Biomolecular Engineering, Clemson University, 205 Earle Hall Clemson SC 29634 USA; Ferrandon, Magali [Chemical Sciences and Engineering Division, Argonne National Lab, 9700 S. Cass Ave. Argonne IL 60439 USA; Vjunov, Aleksei [Institute for Integrated Catalysis, Pacific Northwest National Lab, P.O. Box 999 Richland WA 99352 USA; Gallington, Leighanne C. [X-ray Science Division, Argonne National Lab, 9700 S Cass Ave. Argonne IL 60439 USA; Webber, Thomas E. [Department of Chemistry, University of Minnesota, 207 Pleasant St. SE Minneapolis MN 55455 USA; Vermeulen, Nicolaas A. [Department of Chemistry, Northwestern University, 2145 Sheridan Rd. Evanston IL 60208 USA; Penn, R. Lee [Department of Chemistry, University of Minnesota, 207 Pleasant St. SE Minneapolis MN 55455 USA; Getman, Rachel B. [Chemical and Biomolecular Engineering, Clemson University, 205 Earle Hall Clemson SC 29634 USA; Cramer, Christopher J. [Department of Chemistry, University of Minnesota, 207 Pleasant St. SE Minneapolis MN 55455 USA; Chapman, Karena W. [X-ray Science Division, Argonne National Lab, 9700 S Cass Ave. Argonne IL 60439 USA; Camaioni, Donald M. [Institute for Integrated Catalysis, Pacific Northwest National Lab, P.O. Box 999 Richland WA 99352 USA; Fulton, John L. [Institute for Integrated Catalysis, Pacific Northwest National Lab, P.O. Box 999 Richland WA 99352 USA; Lercher, Johannes A. [Institute for Integrated Catalysis, Pacific Northwest National Lab, P.O. Box 999 Richland WA 99352 USA; Department of Chemistry and Catalysis Research Institute, Technische Universität München, Lichtenbergstrasse 4 85748 Garching Germany; Farha, Omar K. [Department of Chemistry, Northwestern University, 2145 Sheridan Rd. Evanston IL 60208 USA; Hupp, Joseph T. [Materials Science Division, Argonne National Lab, 9700 S Cass Ave. Argonne IL 60439 USA; Department of Chemistry, Northwestern University, 2145 Sheridan Rd. Evanston IL 60208 USA; Martinson, Alex B. F. [Materials Science Division, Argonne National Lab, 9700 S Cass Ave. Argonne IL 60439 USA

2018-01-02

Installed on the zirconia nodes of a metal-organic framework (MOF) NU-1000 via targeted vapor-phase synthesis. The catalytic Pt clusters, site-isolated by organic linkers, are shown to exhibit high catalytic activity for ethylene hydrogenation while exhibiting resistance to sintering up to 200 degrees C. In situ IR spectroscopy reveals the presence of both single atoms and few-atom clusters that depend upon synthesis conditions. Operando X-ray absorption spectroscopy and Xray pair distribution analyses reveal unique changes in chemical bonding environment and cluster size stability while on stream. Density functional theory calculations elucidate a favorable reaction pathway for ethylene hydrogenation with the novel catalyst. These results provide evidence that atomic layer deposition (ALD) in MOFs is a versatile approach to the rational synthesis of size-selected clusters, including noble metals, on a high surface area support.

Magnetron sputtered gadolinia-doped ceria diffusion barriers for metal-supported solid oxide fuel cells

DEFF Research Database (Denmark)

Sønderby, Steffen; Klemensø, Trine; Christensen, Bjarke H.

2014-01-01

Gadolinia-doped ceria (GDC) thin films are deposited by reactive magnetron sputtering in an industrial-scale setup and implemented as barrier layers between the cathode and electrolyte in metal-based solid oxide fuel cells consisting of a metal support, an electrolyte of ZrO2 co-doped with Sc2O3...

Development of supported noble metal catalyst for U(VI) to U(IV) reduction

International Nuclear Information System (INIS)

Tyagi, Deepak; Varma, Salil; Bhattacharyya, K.; Tripathi, A.K.; Bharadwaj, S.R.; Jain, V.K.; Sahu, Avinash; Vincent, Tessy; Jagatap, B.N.; Wattal, P.K.

2015-01-01

Uranium-plutonium separation is an essential step in the PUREX process employed in spent nuclear fuel reprocessing. This partitioning in the PUREX process is achieved by selective reduction of Pu(IV) to Pu(III) using uranous nitrate as reductant and hydrazine as stabilizer. Currently in our Indian reprocessing plants, the requirement of uranous nitrate is met by electrolytic reduction of uranyl nitrate. This process, however, suffers from a major drawback of incomplete reduction with a maximum conversion of ~ 60%. Catalytic reduction of U(VI) to U(IV) is being considered as one of the promising alternatives to the electro-reduction process due to fast kinetics and near total conversion. Various catalysts involving noble metals like platinum (Adams catalyst, Pt/Al 2 O 3 , Pt/SiO 2 etc.) have been reported for the reduction. Sustained activity and stability of the catalyst under harsh reaction conditions are still the issues that need to be resolved. We present here the results on zirconia supported noble metal catalyst that is developed in BARC for reduction of uranyl nitrate to uranous nitrate. Supported noble metal catalysts with varying metal loadings (0.5 - 2 wt%) were prepared via support precipitation and noble metal impregnation. The green catalysts were reduced either by chemical reduction using hydrazine hydrate or by heating in hydrogen flow or combination of both the steps. These catalysts were characterized by various techniques such as, XRD, SEM, TEM, N 2 adsorption and H 2 chemisorption. Performance of these catalysts was evaluated for U(VI) to U(IV) reduction with uranyl nitrate feed using hydrazine as reductant. The results with the most active catalyst are named as 'BARC-CAT', which was developed in our lab. (author)

Controlled in-situ dissolution of an alkali metal

Science.gov (United States)

Jones, Jeffrey Donald; Dooley, Kirk John; Tolman, David Donald

2012-09-11

A method for the controllable dissolution of one or more alkali metals from a vessel containing a one or more alkali metals and/or one or more partially passivated alkali metals. The vessel preferably comprising a sodium, NaK or other alkali metal-cooled nuclear reactor that has been used. The alkali metal, preferably sodium, potassium or a combination thereof, in the vessel is exposed to a treatment liquid, preferably an acidic liquid, more preferably citric acid. Preferably, the treatment liquid is maintained in continuous motion relative to any surface of unreacted alkali metal with which the treatment liquid is in contact. The treatment liquid is preferably pumped into the vessel containing the one or more alkali metals and the resulting fluid is extracted and optionally further processed. Preferably, the resulting off-gases are processed by an off-gas treatment system and the resulting liquids are processed by a liquid disposal system. In one preferred embodiment, an inert gas is pumped into the vessel along with the treatment liquid.

Th-Based Endohedral Metallofullerenes: Anomalous Metal Position and Significant Metal-Cage Covalent Interactions with the Involvement of Th 5f Orbitals.

Science.gov (United States)

Li, Ying; Yang, Le; Liu, Chang; Hou, Qinghua; Jin, Peng; Lu, Xing

2018-05-29

Endohedral metallofullerenes (EMFs) containing actinides are rather intriguing due to potential 5f-orbital participation in the metal-metal or metal-cage bonding. In this work, density functional theory calculations first characterized the structure of recently synthesized ThC 74 as Th@ D 3 h (14246)-C 74 . We found that the thorium atom adopts an unusual off-axis position inside cage due to small metal ion size and the requirement of large coordination number, which phenomenon was further extended to other Th-based EMFs. Significantly, besides the strong metal-cage electrostatic attractions, topological and orbital analysis revealed that all the investigated Th-based EMFs exhibit obvious covalent interactions between metal and cage with substantial contribution from the Th 5f orbitals. The encapsulation by fullerenes is thus proposed as a practical pathway toward the f-orbital covalency for thorium. Interestingly, the anomalous internal position of Th led to a novel three-dimensional metal trajectory at elevated temperatures in the D 3 h -C 74 cavity, as elucidated by the static computations and molecular dynamic simulations.

Manipulation of Dirac cones in metal-intercalated epitaxial graphene

Science.gov (United States)

Wang, Cai-Zhuang; Kim, Minsung; Tringides, Michael; Ho, Kai-Ming

Graphene is one of the most attractive materials from both fundamental and practical points of view due to its characteristic Dirac cones. The electronic property of graphene can be modified through the interaction with substrate or another graphene layer as illustrated in few-layer epitaxial graphene. Recently, metal intercalation became an effective method to manipulate the electronic structure of graphene by modifying the coupling between the constituent layers. In this work, we show that the Dirac cones of epitaxial graphene can be manipulated by intercalating rare-earth metals. We demonstrate that rare-earth metal intercalated epitaxial graphene has tunable band structures and the energy levels of Dirac cones as well as the linear or quadratic band dispersion can be controlled depending on the location of the intercalation layer and density. Our results could be important for applications and characterizations of the intercalated epitaxial graphene. Supported by the U.S. DOE-BES under Contract No. DE-AC02-07CH11358.

Molten metal feed system controlled with a traveling magnetic field

International Nuclear Information System (INIS)

Praeg, W.F.

1991-01-01

This patent describes a continuous metal casting system in which the feed of molten metal controlled by means of a linear induction motor capable of producing a magnetic traveling wave in a duct that connects a reservoir of molten metal to a caster. The linear induction motor produces a traveling magnetic wave in the duct in opposition to the pressure exerted by the head of molten metal in the reservoir

Carbon monoxide adsorption studies on Ru:Mn bimetallic catalysts supported on alumina, silica and titania supported for the determination of metal surface area overview

International Nuclear Information System (INIS)

Hussain, S.T.

1992-01-01

Supported Ru: Mn bimetallic samples were studied using CO-chemisorption on alumina, silica and titania supports for the determination of active metal site/metal surface area. The data indicates the presence of Mn on the surface of Ru. With the increase of Mn loadings a decrease in the CO adsorption occurred indicating that presence of Mn masks the active sites responsible for Co-adsorption. On the titania supported system reduced at high and low temperature the CO-chemisorption data suggest the unusual behaviour. This behaviour is possibly caused due to creation of new active surface sites. (author)

Progress in Metal-Supported Axial-Injection Plasma Sprayed Solid Oxide Fuel Cells Using Nanostructured NiO-Y0.15Zr0.85O1.925 Dry Powder Anode Feedstock

Science.gov (United States)

Metcalfe, C.; Harris, J.; Kuhn, J.; Marr, M.; Kesler, O.

2013-06-01

A composite NiO-Y0.15Zr0.85O1.925 (YSZ) agglomerated feedstock having nanoscale NiO and YSZ primary particles was used to fabricate anodes having sub-micrometer structure. These anodes were incorporated into two different metal-supported SOFC architectures, which differ in the order of electrode deposition. The composition of the composite Ni-YSZ anodes is controllable by selection of the agglomerate size fraction and standoff distance, while the porosity is controllable by selection of agglomerate size fraction and addition of a sacrificial pore-forming material. A bi-layer anode was fabricated having a total porosity of 33% for the diffusion layer and 23% porosity for the functional layer. A power density of 630 mW/cm2 was obtained at 750 °C in humidified H2 with cells having the bi-layer anode deposited on the metal support. Cells having the cathode deposited on the metal support showed poor performance due to a significant number of vertical cracks through the electrolyte, allowing excessive gas cross-over between the anode and the cathode compartments.

Conversion of cellulose and cellobiose into sorbitol catalyzed by ruthenium supported on a polyoxometalate/metal-organic framework hybrid.

Science.gov (United States)

Chen, Jinzhu; Wang, Shengpei; Huang, Jing; Chen, Limin; Ma, Longlong; Huang, Xing

2013-08-01

Cellulose and cellobiose were selectively converted into sorbitol over water-tolerant phosphotungstic acid (PTA)/metal- organic-framework-hybrid-supported ruthenium catalysts, Ru-PTA/MIL-100(Cr), under aqueous hydrogenation conditions. The goal was to investigate the relationship between the acid/metal balance of bifunctional catalysts Ru-PTA/MIL-100(Cr) and their performance in the catalytic conversion of cellulose and cellobiose into sugar alcohols. The control of the amount and strength of acid sites in the supported PTA/MIL-100(Cr) was achieved through the effective control of encapsulated-PTA loading in MIL-100(Cr). This design and preparation method led to an appropriately balanced Ru-PTA/MIL-100(Cr) in terms of Ru dispersion and hydrogenation capacity on the one hand, and acid site density of PTA/MIL-100(Cr) (responsible for acid-catalyzed hydrolysis) on the other hand. The ratio of acid site density to the number of Ru surface atoms (nA /nRu ) of Ru-PTA/MIL-100(Cr) was used to monitor the balance between hydrogenation and hydrolysis functions; the optimum balance between the two catalytic functions, that is, 8.84sorbitol of 57.9% at complete conversion of cellulose, and 97.1% yield in hexitols with a selectivity for sorbitol of 95.1% at complete conversion of cellobiose) were obtained using a Ru-PTA/MIL-100(Cr) catalyst with loadings of 3.2 wt % for Ru and 16.7 wt % for PTA. This research thus opens new perspectives for the rational design of acid/metal bifunctional catalysts for biomass conversion. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Temperature-dependent liquid metal flowrate control device

International Nuclear Information System (INIS)

Carlson, R.D.

1978-01-01

A temperature-dependent liquid metal flowrate control device includes a magnet and a ferromagnetic member defining therebetween a flow path for liquid metal, the ferromagnetic member being formed of a material having a curie temperature at which a change in the flow rate of the liquid metal is desired. According to the preferred embodiment the magnet is a cylindrical rod magnet axially disposed within a cylindrical member formed of a curie material and having iron pole pieces at the ends. A cylindrical iron shunt and a thin wall stainless steel barrier are disposed in the annulus between magnet and curie material. Below the curie temperature flow between steel barrier and curie material is impeded and above the curie temperature flow impedance is reduced

Towards High Power Density Metal Supported Solid Oxide Fuel Cell for Mobile Applications

DEFF Research Database (Denmark)

Nielsen, Jimmi; Persson, Åsa Helen; Muhl, Thuy

2017-01-01

For use of metal supported SOFC in mobile applications it is important to reduce the thermal mass to enable fast start up, increase stack power density in terms of weight and volume and reduce costs. In the present study, we report on the effect of reducing the support layer thickness of 313 μm...

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

DEFF Research Database (Denmark)

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

2005-01-01

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

Universal interaction-driven gap in metallic carbon nanotubes

Science.gov (United States)

Senger, Mitchell J.; McCulley, Daniel R.; Lotfizadeh, Neda; Deshpande, Vikram V.; Minot, Ethan D.

2018-02-01

Suspended metallic carbon nanotubes (m-CNTs) exhibit a remarkably large transport gap that can exceed 100 meV. Both experiment and theory suggest that strong electron-electron interactions play a crucial role in generating this electronic structure. To further understand this strongly interacting system, we have performed electronic measurements of suspended m-CNTs with known diameter and chiral angle. Spectrally resolved photocurrent microscopy was used to determine m-CNT structure. The room-temperature electrical characteristics of 18 individually contacted m-CNTs were compared to their respective diameter and chiral angle. At the charge neutrality point, we observe a peak in m-CNT resistance that scales exponentially with inverse diameter. Using a thermally activated transport model, we estimate that the transport gap is (450 meV nm)/D , where D is CNT diameter. We find no correlation between the gap and the CNT chiral angle. Our results add important constraints to theories attempting to describe the electronic structure of m-CNTs.

Evaluation of mechanical properties in metal wire mesh supported selective catalytic reduction (SCR) catalyst structures

Science.gov (United States)

Rajath, S.; Siddaraju, C.; Nandakishora, Y.; Roy, Sukumar

2018-04-01

The objective of this research is to evaluate certain specific mechanical properties of certain stainless steel wire mesh supported Selective catalytic reduction catalysts structures wherein the physical properties of the metal wire mesh and also its surface treatments played vital role thereby influencing the mechanical properties. As the adhesion between the stainless steel wire mesh and the catalyst material determines the bond strength and the erosion resistance of catalyst structures, surface modifications of the metal- wire mesh structure in order to facilitate the interface bonding is therefore very important to realize enhanced level of mechanical properties. One way to enhance such adhesion properties, the stainless steel wire mesh is treated with the various acids, i.e., chromic acid, phosphoric acid including certain mineral acids and combination of all those in various molar ratios that could generate surface active groups on metal surface that promotes good interface structure between the metal- wire mesh and metal oxide-based catalyst material and then the stainless steel wire mesh is dipped in the glass powder slurry containing some amount of organic binder. As a result of which the said catalyst material adheres to the metal-wire mesh surface more effectively that improves the erosion profile of supported catalysts structure including bond strength.

Capturing the H 2 –Metal Interaction in Mg-MOF-74 Using Classical Polarization

KAUST Repository

Pham, Tony; Forrest, Katherine A.; McLaughlin, Keith; Eckert, Juergen; Space, Brian

2014-01-01

© 2014 American Chemical Society. Grand canonical Monte Carlo (GCMC) simulations of H2 sorption were performed in Mg-MOF-74, a metal-organic framework (MOF) that displays very high H2 sorption affinity. Experimental H2 sorption isotherms and isosteric heats of adsorption (Qst) values were reproduced using a general purpose materials sorption potential that includes many-body polarization interactions. In contrast, using two models that include only charge-quadrupole interactions failed to reproduce such experimental measurements even though they are the type normally employed in such classical force field calculations. Utilizing the present explicit polarizable model in GCMC simulation resulted in a Mg2+-H2 distance of 2.60 Å, which is close to a previously reported value that was obtained using electronic structure methods and comparable to similar experimental measurements. The induced dipole distribution obtained from simulation assisted in the characterization of two previously identified sorption sites in the MOF: the Mg2+ ions and the oxido group of the linkers. The calculated two-dimensional quantum rotational levels for a H2 molecule sorbed onto the Mg2+ ion were in good agreement with experimental inelastic neutron scattering (INS) data. Although the H2-metal interaction in MOFs may be thought of as a quantum mechanical effect, this study demonstrates how the interaction between the sorbate molecules and the open-metal sites in a particular highly sorbing MOF can be captured using classical simulation techniques that involve a polarizable potential.

Capturing the H 2 –Metal Interaction in Mg-MOF-74 Using Classical Polarization

KAUST Repository

Pham, Tony

2014-10-02

© 2014 American Chemical Society. Grand canonical Monte Carlo (GCMC) simulations of H2 sorption were performed in Mg-MOF-74, a metal-organic framework (MOF) that displays very high H2 sorption affinity. Experimental H2 sorption isotherms and isosteric heats of adsorption (Qst) values were reproduced using a general purpose materials sorption potential that includes many-body polarization interactions. In contrast, using two models that include only charge-quadrupole interactions failed to reproduce such experimental measurements even though they are the type normally employed in such classical force field calculations. Utilizing the present explicit polarizable model in GCMC simulation resulted in a Mg2+-H2 distance of 2.60 Å, which is close to a previously reported value that was obtained using electronic structure methods and comparable to similar experimental measurements. The induced dipole distribution obtained from simulation assisted in the characterization of two previously identified sorption sites in the MOF: the Mg2+ ions and the oxido group of the linkers. The calculated two-dimensional quantum rotational levels for a H2 molecule sorbed onto the Mg2+ ion were in good agreement with experimental inelastic neutron scattering (INS) data. Although the H2-metal interaction in MOFs may be thought of as a quantum mechanical effect, this study demonstrates how the interaction between the sorbate molecules and the open-metal sites in a particular highly sorbing MOF can be captured using classical simulation techniques that involve a polarizable potential.

Thermo-plasmonics of Irradiated Metallic Nanostructures

DEFF Research Database (Denmark)

Ma, Haiyan

Thermo-plasmonics is an emerging field in photonics which aims at harnessing the kinetic energy of light to generate nanoscopic sources of heat. Localized surface plasmons (LSP) supported by metallic nanostructures greatly enhance the interactions of light with the structure. By engineering...... delivery, nano-surgeries and thermo-transportations. Apart from generating well-controlled temperature increase in functional thermo-plasmonic devices, thermo-plasmonics can also be used in understanding complex phenomena in thermodynamics by creating drastic temperature gradients which are not accessible...... using conventional techniques. In this thesis, we present novel experimental and numerical tools to characterize thermo-plasmonic devices in a biologically relevant environment, and explore the thermodiffusion properties and measure thermophoretic forces for particles in temperature gradients ranging...

On-Chip Production of Size-Controllable Liquid Metal Microdroplets Using Acoustic Waves.

Science.gov (United States)

Tang, Shi-Yang; Ayan, Bugra; Nama, Nitesh; Bian, Yusheng; Lata, James P; Guo, Xiasheng; Huang, Tony Jun

2016-07-01

Micro- to nanosized droplets of liquid metals, such as eutectic gallium indium (EGaIn) and Galinstan, have been used for developing a variety of applications in flexible electronics, sensors, catalysts, and drug delivery systems. Currently used methods for producing micro- to nanosized droplets of such liquid metals possess one or several drawbacks, including the lack in ability to control the size of the produced droplets, mass produce droplets, produce smaller droplet sizes, and miniaturize the system. Here, a novel method is introduced using acoustic wave-induced forces for on-chip production of EGaIn liquid-metal microdroplets with controllable size. The size distribution of liquid metal microdroplets is tuned by controlling the interfacial tension of the metal using either electrochemistry or electrocapillarity in the acoustic field. The developed platform is then used for heavy metal ion detection utilizing the produced liquid metal microdroplets as the working electrode. It is also demonstrated that a significant enhancement of the sensing performance is achieved by introducing acoustic streaming during the electrochemical experiments. The demonstrated technique can be used for developing liquid-metal-based systems for a wide range of applications. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Light-matter interaction in transition metal dichalcogenides and their heterostructures

Science.gov (United States)

Wurstbauer, Ursula; Miller, Bastian; Parzinger, Eric; Holleitner, Alexander W.

2017-05-01

The investigation of two-dimensional (2D) van der Waals materials is a vibrant, fast-moving and still growing interdisciplinary area of research. These materials are truly 2D crystals with strong covalent in-plane bonds and weak van der Waals interaction between the layers, and have a variety of different electronic, optical and mechanical properties. Transition metal dichalcogenides are a very prominent class of 2D materials, particularly the semiconducting subclass. Their properties include bandgaps in the near-infrared to the visible range, decent charge carrier mobility together with high (photo-) catalytic and mechanical stability, and exotic many-body phenomena. These characteristics make the materials highly attractive for both fundamental research as well as innovative device applications. Furthermore, the materials exhibit a strong light-matter interaction, providing a high sunlight absorbance of up to 15% in the monolayer limit, strong scattering cross section in Raman experiments, and access to excitonic phenomena in van der Waals heterostructures. This review focuses on the light-matter interaction in MoS2, WS2, MoSe2 and WSe2, which is dictated by the materials’ complex dielectric functions, and on the multiplicity of studying the first-order phonon modes by Raman spectroscopy to gain access to several material properties such as doping, strain, defects and temperature. 2D materials provide an interesting platform for stacking them into van der Waals heterostructures without the limitation of lattice mismatch, resulting in novel devices for applications but also to enable the study of exotic many-body interaction phenomena such as interlayer excitons. Future perspectives of semiconducting transition metal dichalcogenides and their heterostructures for applications in optoelectronic devices will be examined, and routes to study emergent fundamental problems and many-body quantum phenomena under excitations with photons will be discussed.

Review of foreign equipment for powered support control

Energy Technology Data Exchange (ETDEWEB)

Sikora, W; Sobczyk, J

1986-10-01

A new generation of control systems are comparatively evaluated developed by Dowty, Hemscheidt and Thyssen-Siemens for powered supports and shield supports. Types of functions controlled by each system are discussed: support advancing (lowering support canopy, advancing, increasing pressure), control of support position, advancing chain conveyor. The following control systems are described: fully automatic control, remote control from a gate road, manual control from an adjacent support unit. Types of electronic equipment used in the control systems are described: microcomputers (8-bit CMOS device), 8-bit microcomputers, transmission systems, measuring instruments. Advantages of control systems developed and manufactured by the 3 companies are comparatively evaluated.

Characterization of a well performing and durable Ni:CGO-infiltrated anode for metal-supported SOFC

DEFF Research Database (Denmark)

Nielsen, Jimmi; Klemensø, Trine; Graves, Christopher R.

3000 hours of 0.25A/cm2 galvanostatic testing at 650 ºC was shown. Furthermore, it was shown on button cells that if the cathode side consisted of a dense CGO barrier layer in combination with a LSC cathode, a performance with an area specific resistance (ASR) of 0.27 Ω cm2 at 650 ºC could be obtained....... These performance and durability characteristics are very encouraging but despite several papers on metal supported SOFC with this type of infiltrated anode [1-3], the performance and the factors controlling the performance and durability is not yet well understood. Only some initial data on symmetrical cells...

Study of the pair-interaction function in some normal metals; Etude de l'interaction de paire dans quelques metaux normaux

Energy Technology Data Exchange (ETDEWEB)

Pick, R [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1965-06-01

The pair interaction function has been derived for the following metals: Li, Na, K, Al. It is obtained via a second order perturbation expansion of the wave functions of the conduction electrons using a self-consistent pseudo-potential. Exchange and correlations between those electrons have been ignored. Such an interaction is only valid at constant volume and depends on a single experimental parameter, namely the ionic volume. Its main features are a pronounced minimum in the vicinity of the nearest neighbours, especially marked in alkaline metals, and an asymptotic decrease of the form cos(2k{sub F}r)/r{sup 3}. This interaction gives the correct crystalline structure of these metals at 0 K as well as a good approximation of the phonon spectrum of an alkaline. The validity of the perturbation technique is discussed. We prove that the pair interaction function is correctly given to second order in the pseudo-potential despite the various approximations and errors involved by such a method. (author) [French] L'interaction de paire effective entre ions a ete calculee dans les metaux Li, Na, K et Al. Elle est obtenue par un developpement en serie de perturbation des fonctions d'onde des electrons de conduction. Le developpement est pousse au deuxieme ordre et utilise un pseudo-potentiel self-consistant. Les phenomenes d'echange et de correlations entre ces electrons ont ete negliges. L'interaction calculee n'a de sens qu'a volume constant. Elle depend d'un seul parametre experimental, le volume ionique. Elle se caracterise par un minimum prononce de l'energie de paire pour les proches voisins, surtout marque chez les alcalins. Elle decroit asymptotiquement en cos(2k{sub F}r)/r{sup 3}. Elle permet de predire la structure cristalline la plus stable a 0 K; elle donne le spectre de phonons des alcalins avec une assez bonne precision. Par ailleurs, la validite de la methode de perturbation du deuxieme ordre est discutee. On montre qu'elle donne correctement l'interaction

PEROXOTITANATE- AND MONOSODIUM METAL-TITANATE COMPOUNDS AS INHIBITORS OF BACTERIAL GROWTH

Energy Technology Data Exchange (ETDEWEB)

Hobbs, D.

2011-01-19

Sodium titanates are ion-exchange materials that effectively bind a variety of metal ions over a wide pH range. Sodium titanates alone have no known adverse biological effects but metal-exchanged titanates (or metal titanates) can deliver metal ions to mammalian cells to alter cell processes in vitro. In this work, we test a hypothesis that metal-titanate compounds inhibit bacterial growth; demonstration of this principle is one prerequisite to developing metal-based, titanate-delivered antibacterial agents. Focusing initially on oral diseases, we exposed five species of oral bacteria to titanates for 24 h, with or without loading of Au(III), Pd(II), Pt(II), and Pt(IV), and measuring bacterial growth in planktonic assays through increases in optical density. In each experiment, bacterial growth was compared with control cultures of titanates or bacteria alone. We observed no suppression of bacterial growth by the sodium titanates alone, but significant (p < 0.05, two-sided t-tests) suppression was observed with metal-titanate compounds, particularly Au(III)-titanates, but with other metal titanates as well. Growth inhibition ranged from 15 to 100% depending on the metal ion and bacterial species involved. Furthermore, in specific cases, the titanates inhibited bacterial growth 5- to 375-fold versus metal ions alone, suggesting that titanates enhanced metal-bacteria interactions. This work supports further development of metal titanates as a novel class of antibacterials.

Controlled, Constrained, or Flexible? How Self-Management Goals Are Shaped By Patient-Provider Interactions.

Science.gov (United States)

Franklin, Marika; Lewis, Sophie; Willis, Karen; Rogers, Anne; Venville, Annie; Smith, Lorraine

2018-06-01

A person-centered approach to goal-setting, involving collaboration between patients and health professionals, is advocated in policy to support self-management. However, this is difficult to achieve in practice, reducing the potential effectiveness of self-management support. Drawing on observations of consultations between patients and health professionals, we examined how goal-setting is shaped in patient-provider interactions. Analysis revealed three distinct interactional styles. In controlled interactions, health professionals determine patients' goals based on biomedical reference points and present these goals as something patients should do. In constrained interactions, patients are invited to present goals, yet health professionals' language and questions orientate goals toward biomedical issues. In flexible interactions, patients and professionals both contribute to goal-setting, as health professionals use less directive language, create openings, and allow patients to decide on their goals. Findings suggest that interactional style of health professionals could be the focus of interventions when aiming to increase the effectiveness of goal-setting.

Calculations of hyperfine interactions in transition metal compounds in the local density approximation

International Nuclear Information System (INIS)

Guenzburger, D.J.R.

1982-01-01

A survey is made of some theoretical calculations of electrostatic and magnetic hyperfine interactions in transition metal compounds and complex irons. The molecular orbital methods considered are the Multiple Scattering and Discrete Variational, in which the local Xα approximation for the exchange interaction is employed. Emphasis is given to the qualitative informations, derived from the calculations, relating the hyperfine parameters to characteristics of the chemical bonds. (Author) [pt

INCA- INTERACTIVE CONTROLS ANALYSIS

Science.gov (United States)

Bauer, F. H.

1994-01-01

The Interactive Controls Analysis (INCA) program was developed to provide a user friendly environment for the design and analysis of linear control systems, primarily feedback control systems. INCA is designed for use with both small and large order systems. Using the interactive graphics capability, the INCA user can quickly plot a root locus, frequency response, or time response of either a continuous time system or a sampled data system. The system configuration and parameters can be easily changed, allowing the INCA user to design compensation networks and perform sensitivity analysis in a very convenient manner. A journal file capability is included. This stores an entire sequence of commands, generated during an INCA session into a file which can be accessed later. Also included in INCA are a context-sensitive help library, a screen editor, and plot windows. INCA is robust to VAX-specific overflow problems. The transfer function is the basic unit of INCA. Transfer functions are automatically saved and are available to the INCA user at any time. A powerful, user friendly transfer function manipulation and editing capability is built into the INCA program. The user can do all transfer function manipulations and plotting without leaving INCA, although provisions are made to input transfer functions from data files. By using a small set of commands, the user may compute and edit transfer functions, and then examine these functions by using the ROOT_LOCUS, FREQUENCY_RESPONSE, and TIME_RESPONSE capabilities. Basic input data, including gains, are handled as single-input single-output transfer functions. These functions can be developed using the function editor or by using FORTRAN- like arithmetic expressions. In addition to the arithmetic functions, special functions are available to 1) compute step, ramp, and sinusoid functions, 2) compute closed loop transfer functions, 3) convert from S plane to Z plane with optional advanced Z transform, and 4) convert from Z

A Novel Synthesis of Gold Nanoparticles Supported on Hybrid Polymer/Metal Oxide as Catalysts for p-Chloronitrobenzene Hydrogenation

Directory of Open Access Journals (Sweden)

Cristian H. Campos

2017-01-01

Full Text Available This contribution reports a novel preparation of gold nanoparticles on polymer/metal oxide hybrid materials (Au/P[VBTACl]-M metal: Al, Ti or Zr and their use as heterogeneous catalysts in liquid phase hydrogenation of p-chloronitrobenzene. The support was prepared by in situ radical polymerization/sol gel process of (4-vinyl-benzyltrimethylammonium chloride and 3-(trimethoxysilylpropyl methacrylate in conjunction with metal-alkoxides as metal oxide precursors. The supported catalyst was prepared by an ion exchange process using chloroauric acid (HAuCl4 as gold precursor. The support provided the appropriate environment to induce the spontaneous reduction and deposition of gold nanoparticles. The hybrid material was characterized. TEM and DRUV-vis results indicated that the gold forms spherical metallic nanoparticles and that their mean diameter increases in the sequence, Au/P[VBTACl]-Zr > Au/P[VBTACl]-Al > Au/P[VBTACl]-Ti. The reactivity of the Au catalysts toward the p-CNB hydrogenation reaction is attributed to the different particle size distributions of gold nanoparticles in the hybrid supports. The kinetic pseudo-first-order constant values for the catalysts in the hydrogenation reaction increases in the order, Au/P[VBTACl]-Al > Au/P[VBTACl]-Zr > Au/P[VBTACl]-Ti. The selectivity for all the catalytic systems was greater than 99% toward the chloroaniline target product. Finally the catalyst supported on the hybrid with Al as metal oxide could be reused at least four times without loss in activity or selectivity for the hydrogenation of p-CNB in ethanol as solvent.

Interactions of the NAEG information support project with other projects

International Nuclear Information System (INIS)

Pfuderer, H.A.

1976-01-01

In the past year the Information Support Project to the Nevada Applied Ecology Group has interacted with many other research projects on the transuranics and other radionuclides. Group interactions through symposiums, workshops, and responding to search requests have proven to be mutually beneficial. The NAEG Information Support Project will draw on the information resources of the Oak Ridge National Laboratory to produce a bibliography of the radionuclides (other than the transuranics) of interest to the Nevada Test Site

Internet peer support for individuals with psychiatric disabilities: A randomized controlled trial.

Science.gov (United States)

Kaplan, Katy; Salzer, Mark S; Solomon, Phyllis; Brusilovskiy, Eugene; Cousounis, Pamela

2011-01-01

Despite the prevalence of Internet support groups for individuals with mental illnesses little is known about the potential benefits, or harm, of participating in such groups. Therefore, this randomized controlled trial sought to determine the impact of unmoderated, unstructured Internet peer support, similar to what is naturally occurring on the Internet, on the well-being of individuals with psychiatric disabilities. Three hundred individuals resident in the USA diagnosed with a Schizophrenia Spectrum or an Affective Disorder were randomized into one of three conditions: experimental Internet peer support via a listserv, experimental Internet peer support via a bulletin board, or a control condition. Three measurement time points, baseline, 4- and 12 months post-baseline, assessed well-being by examining measures of recovery, quality of life, empowerment, social support, and distress. Time × group interactions in the repeated measures ANOVA showed no differences between conditions on the main outcomes. Post-hoc repeated measures ANOVAs found that those individuals who participated more in Internet peer support reported higher levels of distress than those with less or no participation (p = 0.03). Those who reported more positive experiences with the Internet peer support group also reported higher levels of psychological distress than those reporting less positive experiences (p = 0.01). Study results therefore do not support the hypothesis that participation in an unmoderated, unstructured Internet listserv or bulletin board peer support group for individuals with psychiatric disabilities enhances well-being. Counterintuitive findings demonstrating those who report more positive experiences also experienced higher levels of distress are discussed but we also point to the need for additional research. Future research should explore the various structures, formats, and interventions of Internet support, as well as the content and quality of interactions

Autonomy-Supportive Parenting and Autonomy-Supportive Sibling Interactions: The Role of Mothers' and Siblings' Psychological Need Satisfaction.

Science.gov (United States)

van der Kaap-Deeder, Jolene; Vansteenkiste, Maarten; Soenens, Bart; Loeys, Tom; Mabbe, Elien; Gargurevich, Rafael

2015-11-01

Autonomy-supportive parenting yields manifold benefits. To gain more insight into the family-level dynamics involved in autonomy-supportive parenting, the present study addressed three issues. First, on the basis of self-determination theory, we examined whether mothers' satisfaction of the psychological needs for autonomy, competence, and relatedness related to autonomy-supportive parenting. Second, we investigated maternal autonomy support as an intervening variable in the mother-child similarity in psychological need satisfaction. Third, we examined associations between autonomy-supportive parenting and autonomy-supportive sibling interactions. Participants were 154 mothers (M age = 39.45, SD = 3.96) and their two elementary school-age children (M age = 8.54, SD = 0.89 and M age = 10.38, SD = 0.87). Although mothers' psychological need satisfaction related only to maternal autonomy support in the younger siblings, autonomy-supportive parenting related to psychological need satisfaction in both siblings and to an autonomy-supportive interaction style between siblings. We discuss the importance of maternal autonomy support for family-level dynamics. © 2015 by the Society for Personality and Social Psychology, Inc.

Application of risk-informed approaches for optimization of control of WWER 1000 pipe metal

International Nuclear Information System (INIS)

Kolykhanov, Viktork; Komarov, Yuriy; Skalozubov, Volodymyr; Kovryzhkin, Yuriy

2007-01-01

According to Ukrainian regulations, the periodic control of pipes by non-destructive methods has to be performed on a precise basis depending on the degree of influence of a system on the nuclear power plant safety. In order to improve control programs of pipes metal, risk-informed approaches have been introduced. The characteristics of a pipe (or part of a pipe) has been assessed according 4 aspects: the influence on reactor safety, the influence on the reliability of power generation, the influence on residual resource (the resource is worked-out or not), and the absence/presence of defects in the pipe. The above assessment for a pipe or part of a pipe leads to one of the 4 levels of operational metal controls. Level 0: metal control is not carried out (the pipe is fixed when a failure appears), level 1: partial metal controls are performed, level 2: operational metal controls are performed, and level 3: extended metal controls are performed. This new approach has been applied to the pipes involved in the high pressure emergency core cooling system of the VVER-1000

Metal-insulator transition in 2D: the role of interactions and disorder

International Nuclear Information System (INIS)

Kastrinakis, George

2007-01-01

We present a model for the metal-insulator transition in 2D, observed in the recent years. Our starting point consists of two ingredients only, which are ubiquitous in the experiments: Coulomb interactions and weak disorder spin scattering (coming from the interfaces of the heterostructures in question). In a diagramatic approach, we predict the existence of a characteristic temperature T 0 =T 0 (n,ω H ), n being the density of carriers, and ω H the Zeeman energy, below which these systems become metallic, due to the onset of strong spin-density correlations. This is in very good agreement with experiments, and corroborates the fact that varying n and ω H are equivalent ways into/out of the metallic regime. The conductivity, calculated as a function of temperature and ω H in the metallic state, compares favorably to experiment. Moreover, we give an explicit expression for the conventional weak disorder contributions to the conductivity in the frame of our model. We comment on the nature of the transition, we calculate the specific heat of the system and we discuss the fate of the metallic state in the limit of zero temperature

Sinter-Resistant Platinum Catalyst Supported by Metal-Organic Framework.

Science.gov (United States)

Kim, In Soo; Li, Zhanyong; Zheng, Jian; Platero-Prats, Ana E; Mavrandonakis, Andreas; Pellizzeri, Steven; Ferrandon, Magali; Vjunov, Aleksei; Gallington, Leighanne C; Webber, Thomas E; Vermeulen, Nicolaas A; Penn, R Lee; Getman, Rachel B; Cramer, Christopher J; Chapman, Karena W; Camaioni, Donald M; Fulton, John L; Lercher, Johannes A; Farha, Omar K; Hupp, Joseph T; Martinson, Alex B F

2018-01-22

Single atoms and few-atom clusters of platinum are uniformly installed on the zirconia nodes of a metal-organic framework (MOF) NU-1000 via targeted vapor-phase synthesis. The catalytic Pt clusters, site-isolated by organic linkers, are shown to exhibit high catalytic activity for ethylene hydrogenation while exhibiting resistance to sintering up to 200 °C. In situ IR spectroscopy reveals the presence of both single atoms and few-atom clusters that depend upon synthesis conditions. Operando X-ray absorption spectroscopy and X-ray pair distribution analyses reveal unique changes in chemical bonding environment and cluster size stability while on stream. Density functional theory calculations elucidate a favorable reaction pathway for ethylene hydrogenation with the novel catalyst. These results provide evidence that atomic layer deposition (ALD) in MOFs is a versatile approach to the rational synthesis of size-selected clusters, including noble metals, on a high surface area support. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Large Display Interaction via Multiple Acceleration Curves and Multifinger Pointer Control

Directory of Open Access Journals (Sweden)

Andrey Esakia

2014-01-01

Full Text Available Large high-resolution displays combine high pixel density with ample physical dimensions. The combination of these factors creates a multiscale workspace where interactive targeting of on-screen objects requires both high speed for distant targets and high accuracy for small targets. Modern operating systems support implicit dynamic control-display gain adjustment (i.e., a pointer acceleration curve that helps to maintain both speed and accuracy. However, large high-resolution displays require a broader range of control-display gains than a single acceleration curve can usably enable. Some interaction techniques attempt to solve the problem by utilizing multiple explicit modes of interaction, where different modes provide different levels of pointer precision. Here, we investigate the alternative hypothesis of using a single mode of interaction for continuous pointing that enables both (1 standard implicit granularity control via an acceleration curve and (2 explicit switching between multiple acceleration curves in an efficient and dynamic way. We evaluate a sample solution that augments standard touchpad accelerated pointer manipulation with multitouch capability, where the choice of acceleration curve dynamically changes depending on the number of fingers in contact with the touchpad. Specifically, users can dynamically switch among three different acceleration curves by using one, two, or three fingers on the touchpad.

Modulation of Metal and Insulator States in 2D Ferromagnetic VS2 by van der Waals Interaction Engineering.

Science.gov (United States)

Guo, Yuqiao; Deng, Haitao; Sun, Xu; Li, Xiuling; Zhao, Jiyin; Wu, Junchi; Chu, Wangsheng; Zhang, Sijia; Pan, Haibin; Zheng, Xusheng; Wu, Xiaojun; Jin, Changqing; Wu, Changzheng; Xie, Yi

2017-08-01

2D transition-metal dichalcogenides (TMDCs) are currently the key to the development of nanoelectronics. However, TMDCs are predominantly nonmagnetic, greatly hindering the advancement of their spintronic applications. Here, an experimental realization of intrinsic magnetic ordering in a pristine TMDC lattice is reported, bringing a new class of ferromagnetic semiconductors among TMDCs. Through van der Waals (vdW) interaction engineering of 2D vanadium disulfide (VS 2 ), dual regulation of spin properties and bandgap brings about intrinsic ferromagnetism along with a small bandgap, unravelling the decisive role of vdW gaps in determining the electronic states in 2D VS 2 . An overall control of the electronic states of VS 2 is also demonstrated: bond-enlarging triggering a metal-to-semiconductor electronic transition and bond-compression inducing metallization in 2D VS 2 . The pristine VS 2 lattice thus provides a new platform for precise manipulation of both charge and spin degrees of freedom in 2D TMDCs availing spintronic applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Trace metals, melanin-based pigmentation and their interaction influence immune parameters in feral pigeons (Columba livia).

Science.gov (United States)

Chatelain, M; Gasparini, J; Frantz, A

2016-04-01

Understanding the effects of trace metals emitted by anthropogenic activities on wildlife is of great concern in urban ecology; yet, information on how they affect individuals, populations, communities and ecosystems remains scarce. In particular, trace metals may impact survival by altering the immune system response to parasites. Plumage melanin is assumed to influence the effects of trace metals on immunity owing to its ability to bind metal ions in feathers and its synthesis being coded by a pleiotropic gene. We thus hypothesized that trace metal exposure would interact with plumage colouration in shaping immune response. We experimentally investigated the interactive effect between exposure to an environmentally relevant range of zinc and/or lead and melanin-based plumage colouration on components of the immune system in feral pigeons (Columba livia). We found that zinc increased anti-keyhole limpet hemocyanin (KLH) IgY primary response maintenance, buffered the negative effect of lead on anti-KLH IgY secondary response maintenance and tended to increase T-cell mediated phytohaemagglutinin (PHA) skin response. Lead decreased the peak of the anti-KLH IgY secondary response. In addition, pheomelanic pigeons exhibited a higher secondary anti-KLH IgY response than did eumelanic ones. Finally, T-cell mediated PHA skin response decreased with increasing plumage eumelanin level of birds exposed to lead. Neither treatments nor plumage colouration correlated with endoparasite intensity. Overall, our study points out the effects of trace metals on some parameters of birds' immunity, independently from other confounding urbanization factors, and underlines the need to investigate their impacts on other life history traits and their consequences in the ecology and evolution of host-parasite interactions.

Social support and social interaction ties on internet addiction: integrating online and offline contexts.

Science.gov (United States)

Wang, Edward Shih-Tse; Wang, Michael Chih-Hung

2013-11-01

This study explores the relationship between social support and social interaction ties on Internet addiction by integrating both online and offline social encounters. A total of 1,642 members of online social communities participated in this research, for which structural equation modeling was used for analysis. The findings show that social support is positively associated with social interaction ties in both online and offline contexts. In addition, online social support and online social interaction ties are positively associated with Internet addiction, whereas offline social support and social interaction ties on Internet addiction are negatively associated. This finding has important implications not only for understanding the cause of Internet addiction but also for understanding the diminishing Internet addiction due to social support and social interaction ties.

Magnetic interactions as a stabilizing factor of semiquinone species of lawsone by metal complexation

International Nuclear Information System (INIS)

Valle-Bourrouet, Grettel; Ugalde-Saldivar, Victor M.; Gomez, Martin; Ortiz-Frade, Luis A.; Gonzalez, Ignacio; Frontana, Carlos

2010-01-01

Changes in electrochemical reactivity for lawsone anions (lawsone, 2-hydroxy-1,4-naphthoquinone, HLw) being coordinated to a series of metallic ions in dimethylsulfoxide solution were evaluated. Upon performing cyclic voltammetry experiments for metal complexes of this quinone with pyridine (Py) - structural formula M(II)(Lw - ) 2 (Py) 2 ; M: Co(II), Ni(II), Zn(II) - it was found that the reduction of coordinated Lw - units occurs during the first and second electron uptake in the analyzed compounds. The stability of the electrogenerated intermediates for each complex depends on the d electron configuration in each metal center and is determined by magnetic interactions with the available spins considering an octahedral conformation for all the compounds. This was evidenced by in situ spectroelectrochemical-ESR measurements in the Zn(II) complex in which due to the lack of magnetic interaction owing to its electron configuration, the structure of the coordinated anion radical species was determined. Successive reduction of the associated Lw - units leads to partial dissociation of the complex, determined by the identification of free radical dianion structures in solution. These results show some insights on how metal-lawsone complexation can modify the solution reactivity and stability of the electrogenerated radical species.

Magnetic interactions as a stabilizing factor of semiquinone species of lawsone by metal complexation

Energy Technology Data Exchange (ETDEWEB)

Valle-Bourrouet, Grettel [Universidad de Costa Rica, Escuela de Quimica, San Jose (Costa Rica); Ugalde-Saldivar, Victor M. [Facultad de Quimica, Universidad Nacional Autonoma de Mexico, Ciudad Universitaria, C.P. 04510, Mexico, D.F. (Mexico); Gomez, Martin [Departamento de Sistemas Biologicos, Universidad Autonoma Metropolitana-Xochimilco, C.P. 04960, Mexico, D.F. (Mexico); Ortiz-Frade, Luis A. [Centro de Investigacion y Desarrollo Tecnologico en Electroquimica, Parque Tecnologico Queretaro, Sanfandila, 76703, Pedro Escobedo, Queretaro (Mexico); Gonzalez, Ignacio [Universidad Autonoma Metropolitana - Iztapalapa, Departamento de Quimica, Area de Electroquimica, Apartado postal 55-534, 09340, Mexico, D.F. (Mexico); Frontana, Carlos, E-mail: ultrabuho@yahoo.com.m [Departamento de Quimica, Centro de Investigacion y Estudios Avanzados, Av. Instituto Politecnico Nacional No. 2508 Col. San Pedro Zacatenco, C.P. 07360, Mexico, D.F. (Mexico)

2010-12-01

Changes in electrochemical reactivity for lawsone anions (lawsone, 2-hydroxy-1,4-naphthoquinone, HLw) being coordinated to a series of metallic ions in dimethylsulfoxide solution were evaluated. Upon performing cyclic voltammetry experiments for metal complexes of this quinone with pyridine (Py) - structural formula M(II)(Lw{sup -}){sub 2}(Py){sub 2}; M: Co(II), Ni(II), Zn(II) - it was found that the reduction of coordinated Lw{sup -} units occurs during the first and second electron uptake in the analyzed compounds. The stability of the electrogenerated intermediates for each complex depends on the d electron configuration in each metal center and is determined by magnetic interactions with the available spins considering an octahedral conformation for all the compounds. This was evidenced by in situ spectroelectrochemical-ESR measurements in the Zn(II) complex in which due to the lack of magnetic interaction owing to its electron configuration, the structure of the coordinated anion radical species was determined. Successive reduction of the associated Lw{sup -} units leads to partial dissociation of the complex, determined by the identification of free radical dianion structures in solution. These results show some insights on how metal-lawsone complexation can modify the solution reactivity and stability of the electrogenerated radical species.

System Engineering and Integration of Controls for Advanced Life Support

Science.gov (United States)

Overland, David; Hoo, Karlene; Ciskowski, Marvin

2006-01-01

The Advanced Integration Matrix (AIM) project at the Johnson Space Center (JSC) was chartered to study and solve systems-level integration issues for exploration missions. One of the first issues identified was an inability to conduct trade studies on control system architectures due to the absence of mature evaluation criteria. Such architectures are necessary to enable integration of regenerative life support systems. A team was formed to address issues concerning software and hardware architectures and system controls.. The team has investigated what is required to integrate controls for the types of non-linear dynamic systems encountered in advanced life support. To this end, a water processing bioreactor testbed is being developed which will enable prototyping and testing of integration strategies and technologies. Although systems such as the water bioreactors exhibit the complexities of interactions between control schemes most vividly, it is apparent that this behavior and its attendant risks will manifest itself among any set of interdependent autonomous control systems. A methodology for developing integration requirements for interdependent and autonomous systems is a goal of this team and this testbed. This paper is a high-level summary of the current status of the investigation, the issues encountered, some tentative conclusions, and the direction expected for further research.

Application of colloidal chemistry in aqueous phase to the preparation of supported metallic catalysts: particles size and aggregation control; Application de la chimie colloidale en phase aqueuse a la preparation de catalyseurs metalliques supportes: controle de la taille et de l`etat d`agregation des particules

Energy Technology Data Exchange (ETDEWEB)

Pages, T.

1998-09-16

This work is an application of colloidal chemistry in aqueous phase on supported metal catalyst preparation. The objective is the control of particle size and aggregation. The preparation of the materials was achieved in two steps: - the synthesis of PdO hydrosols was obtained by two ways: neutralisation of the solution containing metallic salt by adding alkaline solution or by thermo-hydrolysis; the sols were then deposited on carriers (Al{sub 2}O{sub 3}, SIO{sub 2}). The use of partial charge model allowed us to determine the complexes that were able to generate PdO. The preparation of PdO from Pd(H{sub 2}O){sub 4}{sup 2+} was studied and a mechanism of oxide formation was elaborated. The neutralisation of Pd(H{sub 2}O){sub 4}{sup 2+} obtained by adding alkaline solution led to particles with an average size of 1.8 nm and a narrow particle size distribution. Only the thermo-hydrolysis of Pd(H{sub 2}O){sub 4}{sup 2+} led to particles which size is higher than 3.0 nm. In the last case, particle size is controlled by the precursor concentration (Pd(H{sub 2}O){sub 2}(OH){sub 2}) generated in the medium. We have demonstrated that particle aggregation in the sol depends on the Ph and the way of preparation. It can be controlled by adding complexing anions (Cl{sup -}, NO{sub 2}{sup -}). Concerning the deposition of sols on carriers, it led to isolated or aggregated particles according to experimental conditions. Particle size was not modified during the deposition. Moreover, in our experimental conditions, reduction of particles did not modify particle size and aggregation. An application of this original way of preparation on catalysis allowed us to demonstrate the interest of controlling particle size and aggregation. (author) 186 refs.

Polymer-supported metals and metal oxide nanoparticles: synthesis, characterization, and applications

International Nuclear Information System (INIS)

Sarkar, Sudipta; Guibal, E.; Quignard, F.; SenGupta, A. K.

2012-01-01

Metal and metal oxide nanoparticles exhibit unique properties in regard to sorption behaviors, magnetic activity, chemical reduction, ligand sequestration among others. To this end, attempts are being continuously made to take advantage of them in multitude of applications including separation, catalysis, environmental remediation, sensing, biomedical applications and others. However, metal and metal oxide nanoparticles lack chemical stability and mechanical strength. They exhibit extremely high pressure drop or head loss in fixed-bed column operation and are not suitable for any flow-through systems. Also, nanoparticles tend to aggregate; this phenomenon reduces their high surface area to volume ratio and subsequently reduces effectiveness. By appropriately dispersing metal and metal oxide nanoparticles into synthetic and naturally occurring polymers, many of the shortcomings can be overcome without compromising the parent properties of the nanoparticles. Furthermore, the appropriate choice of the polymer host with specific functional groups may even lead to the enhancement of the properties of nanoparticles. The synthesis of hybrid materials involves two broad pathways: dispersing the nanoparticles (i) within pre-formed or commercially available polymers; and (ii) during the polymerization process. This review presents a broad coverage of nanoparticles and polymeric/biopolymeric host materials and the resulting properties of the hybrid composites. In addition, the review discusses the role of the Donnan membrane effect exerted by the host functionalized polymer in harnessing the desirable properties of metal and metal oxide nanoparticles for intended applications.

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

The effects of heavy metals and their interactions with polycyclic aromatic hydrocarbons on the oxidative stress among coke-oven workers

International Nuclear Information System (INIS)

Wang, Tian; Feng, Wei; Kuang, Dan; Deng, Qifei; Zhang, Wangzhen; Wang, Suhan; He, Meian; Zhang, Xiaomin; Wu, Tangchun; Guo, Huan

2015-01-01

Heavy metals and polycyclic aromatic hydrocarbons (PAHs) are predominate toxic constituents of particulate air pollution that may be related to the increased risk of cardiopulmonary events. We aim to investigate the effects of the toxic heavy metals (arsenic, As; cadmium, Cd; chromium, Cr; nickel, Ni; and lead, Pb), and their interactions with PAHs on oxidative stress among coke-oven workers. A total of 1333 male workers were recruited in this study. We determined their urinary levels of As, Cd, Cr, Ni, Pb, twelve PAH metabolites, 8-hydroxydeoxyguanosine (8-OHdG), and 8-iso-prostaglandin-F2α (8-iso-PGF2α). Multivariate linear regression models were used to analyze the effects of these metals and their interactions with PAHs on 8-OHdG and 8-iso-PGF2α levels. It was found that only urinary As and Ni showed marginal or significant positive linear dose-dependent effects on 8-OHdG in this study population, especially among smokers (β=0.103, P=0.073 and β=0.110, P=0.002, respectively). After stratifying all participants by the quartiles of ΣOH-PAH, all five metals showed linear association with 8-OHdG in the highest quartile subgroup (Q4) of ΣOH-PAHs. However, these five urinary metals showed significantly consistent linear associations with 8-iso-PGF2α in all subjects and each stratum. Urinary ΣOH-PAHs can significant modify the effects of heavy metals on oxidative stress, while co-exposure to both high levels of ΣOH-PAHs and heavy metals render the workers with highest 8-OHdG and 8-iso-PGF2α (all P interaction ≤0.005). This study showed evidence on the interaction effects of heavy metals and PAHs on increasing the oxidative stress, and these results warrant further investigation in more longitudinal studies. - Highlights: • Heavy metals and PAHs are predominate toxic constituents of particulate matters. • Urinary As and Ni showed linear dose-dependent effects on 8-OHdG and 8-iso-PGF2α. • PAHs significant interact with toxic metal in increasing 8-OHd

The effects of heavy metals and their interactions with polycyclic aromatic hydrocarbons on the oxidative stress among coke-oven workers

Energy Technology Data Exchange (ETDEWEB)

Wang, Tian; Feng, Wei; Kuang, Dan; Deng, Qifei [Department of Occupational and Environmental Health, State Key Laboratory of Environmental Health (Incubating), School of Public Health, Tongji Medical College, Huazhong University of Science and Technology, Wuhan (China); Zhang, Wangzhen [Institute of Industrial Health, Wuhan Iron & Steel (Group) Corporation, Wuhan 430070, China. (China); Wang, Suhan; He, Meian; Zhang, Xiaomin; Wu, Tangchun [Department of Occupational and Environmental Health, State Key Laboratory of Environmental Health (Incubating), School of Public Health, Tongji Medical College, Huazhong University of Science and Technology, Wuhan (China); Guo, Huan, E-mail: ghuan5011@hust.edu.cn [Department of Occupational and Environmental Health, State Key Laboratory of Environmental Health (Incubating), School of Public Health, Tongji Medical College, Huazhong University of Science and Technology, Wuhan (China)

2015-07-15

Heavy metals and polycyclic aromatic hydrocarbons (PAHs) are predominate toxic constituents of particulate air pollution that may be related to the increased risk of cardiopulmonary events. We aim to investigate the effects of the toxic heavy metals (arsenic, As; cadmium, Cd; chromium, Cr; nickel, Ni; and lead, Pb), and their interactions with PAHs on oxidative stress among coke-oven workers. A total of 1333 male workers were recruited in this study. We determined their urinary levels of As, Cd, Cr, Ni, Pb, twelve PAH metabolites, 8-hydroxydeoxyguanosine (8-OHdG), and 8-iso-prostaglandin-F2α (8-iso-PGF2α). Multivariate linear regression models were used to analyze the effects of these metals and their interactions with PAHs on 8-OHdG and 8-iso-PGF2α levels. It was found that only urinary As and Ni showed marginal or significant positive linear dose-dependent effects on 8-OHdG in this study population, especially among smokers (β=0.103, P=0.073 and β=0.110, P=0.002, respectively). After stratifying all participants by the quartiles of ΣOH-PAH, all five metals showed linear association with 8-OHdG in the highest quartile subgroup (Q4) of ΣOH-PAHs. However, these five urinary metals showed significantly consistent linear associations with 8-iso-PGF2α in all subjects and each stratum. Urinary ΣOH-PAHs can significant modify the effects of heavy metals on oxidative stress, while co-exposure to both high levels of ΣOH-PAHs and heavy metals render the workers with highest 8-OHdG and 8-iso-PGF2α (all P{sub interaction}≤0.005). This study showed evidence on the interaction effects of heavy metals and PAHs on increasing the oxidative stress, and these results warrant further investigation in more longitudinal studies. - Highlights: • Heavy metals and PAHs are predominate toxic constituents of particulate matters. • Urinary As and Ni showed linear dose-dependent effects on 8-OHdG and 8-iso-PGF2α. • PAHs significant interact with toxic metal in increasing 8

An interactive health communication application for supporting parents managing childhood long-term conditions: outcomes of a randomized controlled feasibility trial.

Science.gov (United States)

Swallow, Veronica M; Knafl, Kathleen; Santacroce, Sheila; Campbell, Malcolm; Hall, Andrew G; Smith, Trish; Carolan, Ian

2014-12-03

Families living with chronic or long-term conditions such as chronic kidney disease (CKD), stages 3-5, face multiple challenges and respond to these challenges in various ways. Some families adapt well while others struggle, and family response to a condition is closely related to outcome. With families and professionals, we developed a novel condition-specific interactive health communication app to improve parents' management ability-the online parent information and support (OPIS) program. OPIS consists of a comprehensive mix of clinical caregiving and psychosocial information and support. The purpose of this study was to (1) assess feasibility of a future full-scale randomized controlled trial (RCT) of OPIS in terms of recruitment and retention, data collection procedures, and psychometric performance of the study measures in the target population, and (2) investigate trends in change in outcome measures in a small-scale RCT in parents of children with CKD stages 3-5. Parents were recruited from a pediatric nephrology clinic and randomly assigned to one of two treatment groups: usual support for home-based clinical caregiving (control) or usual support plus password-protected access to OPIS for 20 weeks (intervention). Both groups completed study measures at study entry and exit. We assessed feasibility descriptively in terms of recruitment and retention rates overall; assessed recruitment, retention, and uptake of the intervention between groups; and compared family condition management, empowerment to deliver care, and fathers' involvement between groups. We recruited 55 parents of 39 children (42% of eligible families). Of those, about three-quarters of intervention group parents (19/26, 73%) and control group parents (22/29, 76%) were retained through completion of 20-week data collection. The overall retention rate was 41/55 (75%). The 41 parents completing the trial were asked to respond to the same 10 questionnaire scales at both baseline and 20 weeks

Molecular dynamics simulations of the DNA interaction with metallic nanoparticles and TiO2 surfaces

International Nuclear Information System (INIS)

Kholmurodov, Kh.T.; Krasavin, E.A.; Dushanov, E.B.; Hassan, H.K.; Galal, A.; ElHabashy, H.A.; Sweilam, N.H.; Yasuoka, K.

2013-01-01

The understanding of the mechanism of DNA interactions and binding with metallic nanoparticles (NPs) and surfaces represents a great interest in today's medicine applications due to diagnostic and treatment of oncology diseases. Recent experimental and simulation studies involve the DNA interaction with highly localized proton beams or metallic NPs (such as Ag, Au, etc.), aimed at targeted cancer therapy through the injection of metal micro- or nanoparticles into the tumor tissue with consequent local microwave or laser heating. The effects of mutational structure changes in DNA and protein structures could result in destroying of native chemical (hydrogen) bonds or, on the contrary, creating of new bonds that do not normally exist there. The cause of such changes might be the alteration of one or several nucleotides (in DNA) or the substitution of specific amino acid residues (in proteins) that can lead to the essential structural destabilization or unfolding. At the atomic or molecular level, the replacement of one nucleotide by another (in DNA double helices) or replacement of one amino acid residue by another (in proteins) cause essential modifications of the molecular force fields of the environment that break locally important hydrogen bonds underlying the structural stability of the biological molecules. In this work, the molecular dynamics(MD) simulations were performed for four DNA models and the flexibilities of the purine and pyrimidine nucleotides during the interaction process with the metallic NPs and TiO 2 surface were clarified

Large head metal-on-metal cementless total hip arthroplasty versus 28mm metal-on-polyethylene cementless total hip arthroplasty: design of a randomized controlled trial

Directory of Open Access Journals (Sweden)

van Raaij Jos JAM

2008-10-01

Full Text Available Abstract Background Osteoarthritis of the hip is successfully treated by total hip arthroplasty with metal-on-polyethylene articulation. Polyethylene wear debris can however lead to osteolysis, aseptic loosening and failure of the implant. Large head metal-on-metal total hip arthroplasty may overcome polyethylene wear induced prosthetic failure, but can increase systemic cobalt and chromium ion concentrations. The objective of this study is to compare two cementless total hip arthroplasties: a conventional 28 mm metal-on-polyethylene articulation and a large head metal-on-metal articulation. We hypothesize that the latter arthroplasties show less bone density loss and higher serum metal ion concentrations. We expect equal functional scores, greater range of motion, fewer dislocations, fewer periprosthetic radiolucencies and increased prosthetic survival with the metal-on-metal articulation. Methods A randomized controlled trial will be conducted. Patients to be included suffer from non-inflammatory degenerative joint disease of the hip, are aged between 18 and 80 and are admitted for primary cementless unilateral total hip arthroplasty. Patients in the metal-on-metal group will receive a cementless titanium alloy acetabular component with a cobalt-chromium liner and a cobalt-chromium femoral head varying from 38 to 60 mm. Patients in the metal-on-polyethylene group will receive a cementless titanium alloy acetabular component with a polyethylene liner and a 28 mm cobalt-chromium femoral head. We will assess acetabular bone mineral density by dual energy x-ray absorptiometry (DEXA, serum ion concentrations of cobalt, chromium and titanium, self reported functional status (Oxford hip score, physician reported functional status and range of motion (Harris hip score, number of dislocations and prosthetic survival. Measurements will take place preoperatively, perioperatively, and postoperatively (6 weeks, 1 year, 5 years and 10 years. Discussion

Noble Metal Catalysts Supported on Nanofibrous Polymeric Membranes for Environmental Applications

Czech Academy of Sciences Publication Activity Database

Soukup, Karel; Topka, Pavel; Hejtmánek, Vladimír; Petráš, D.; Valeš, V.; Šolcová, Olga

2014-01-01

Roč. 236, NOV 1 (2014), s. 3-11 ISSN 0920-5861 R&D Projects: GA ČR GPP106/11/P459; GA ČR GP13-24186P Institutional support: RVO:67985858 Keywords : electrospinning * noble metals * catalytic oxidation * volatile organic compoundas Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 3.893, year: 2014

Metal supported on natural zeolite as catalysts for conversion of ethanol to gasoline

Directory of Open Access Journals (Sweden)

Kristiani Anis

2017-01-01

Full Text Available A various of metal supported into natural zeolite was prepared via wet impregnation method. The transition metals impregnated are nickel, cobalt, copper and zinc. The catalytic properties both of physical and chemical properties were characterized by X-ray Diffraction (XRD, Thermo Gravimetri Analysis (TGA-Differential Scanning Calorimetry (DSC, Surface Area Analyzer-Porositymeter and also gravimetry method for acidity measurement following by the adsorption of organic bases. The results showed that different metals impregnated into natural zeolite affected physical and chemical properties, i.e. crystalinity, surface area, pore size, pore volume and acidity. Their catalytic activity was tested for conversion ethanol to gasoline and showed high conversion up to 80-90% with the aromatics as major product.

Automatic Control of Contextual Interaction Integrated with Affection and Architectural Attentional Control

Directory of Open Access Journals (Sweden)

Yanrong Jiang

2013-03-01

Full Text Available It is still a challenge for robots to interact with complex environments in a smooth and natural manner. The robot should be aware of its surroundings and inner status to make decisions accordingly and appropriately. Contexts benefit the interaction a lot, such as avoiding frequent interruptions (e.g., the explicit inputting requests and thus are essential for interaction. Other challenges, such as shifting attentional focus to a more important stimulus, etc., are also crucial in interaction control. This paper presents a hybrid automatic control approach for interaction, as well as its integration, with these multiple important factors, aiming at performing natural, human-like interactions in robots. In particular, a novel approach of architectural attentional control, based on affection is presented, which attempts to shift the attentional focus in a natural manner. Context-aware computing is combined with interaction to endow the robot with proactive abilities. The long-term interaction control approaches are described. Emotion and personality are introduced into the interaction and their influence mechanism on interaction is explored. We implemented the proposal in an interactive head robot (IHR and the experimental results indicate the effectiveness.

Automation and decision support in interactive consumer products.

OpenAIRE

Sauer, J.; Rüttinger, B.

2007-01-01

This article presents two empirical studies (n=30, n=48) that are concerned with different forms of automation in interactive consumer products. The goal of the studies was to evaluate the effectiveness of two types of automation: perceptual augmentation (i.e. supporting users' action selection and implementation). Furthermore, the effectiveness of non-product information (i.e. labels attached to product) in supporting automation design was evaluated. The findings suggested greater benefits f...

Interaction of noble-metal fission products with pyrolytic silicon carbide

International Nuclear Information System (INIS)

Lauf, R.J.; Braski, D.N.

1982-01-01

Fuel particles for the High-Temperature Gas-Cooled Reactor (HTGR) contain layers of pyrolytic carbon and silicon carbide, which act as a miniature pressure vessel and form the primary fission product barrier. Of the many fission products formed during irradiation, the noble metals are of particular interest because they interact significantly with the SiC layer and their concentrations are somewhat higher in the low-enriched uranium fuels currently under consideration. To study fission product-SiC interactions, particles of UO 2 or UC 2 are doped with fission product elements before coating and are then held in a thermal gradient up to several thousand hours. Examination of the SiC coatings by TEM-AEM after annealing shows that silver behaves differently from the palladium group

Optimization and control of metal forming processes

NARCIS (Netherlands)

Havinga, Gosse Tjipke

2016-01-01

Inevitable variations in process and material properties limit the accuracy of metal forming processes. Robust optimization methods or control systems can be used to improve the production accuracy. Robust optimization methods are used to design production processes with low sensitivity to the

Interactive scan control for kinematic study in open MRI

International Nuclear Information System (INIS)

Goto, Tomohiro; Hamada, Kiyomi; Ito, Taeko; Nagao, Hisako; Takahashi, Tetsuhiko; Hayashida, Yoshiko; Hiai, Yasuhiro; Yamashita, Yasuyuki

2007-01-01

A tool to support the subject is generally used for kinematic joint imaging with an open MRI apparatus because of difficulty setting the image plane correctly. However, use of a support tool requires a complicated procedure to position the subject, and setting the image plane when the joint angle changes is time consuming. Allowing the subject to move freely enables better diagnoses when kinematic joint imaging is performed. We therefore developed an interactive scan control (ISC) to facilitate the easy, quick, and accurate setting of the image plane even when a support tool is not used. We used a 0.4T magnetic resonance (MR) imaging system open in the horizontal direction. The ISC determines the image plane interactively on the basis of fluoroscopy images displayed on a user interface. The imaging pulse is a balanced steady-state acquisition with rewound gradient echo (SARGE) sequence with update time less than 2 s. Without using a tool to support the knee, we positioned the knee of a healthy volunteer at 4 different joint angles and set the image plane through the patella and femur at each of the angles. Lumbar imaging is also demonstrated with ISC. Setting the image plane was easy and quick at all knee angles, and images obtained clearly showed the patella and femur. Total imaging time was less than 10 min, a fourth of the time needed when a support tool is used. We also used our ISC in kinematic imaging of the lumbar. The ISC shortens total time for kinematic joint imaging, and because a support tool is not needed, imaging can be done more freely in an open MR imaging apparatus. (author)

Magnetic chirality induced from Ruderman-Kittel-Kasuya-Yosida interaction at an interface of a ferromagnet/heavy metal heterostructure

International Nuclear Information System (INIS)

Shibuya, Taira; Matsuura, Hiroyasu; Ogata, Masao

2016-01-01

We study a microscopic derivation and the properties of the Dzyaloshinskii-Moriya interaction (DMI) between local magnetic moments in ferromagnet/heavy metal heterostructures. First, we derive DMI by Ruderman-Kittel-Kasuya-Yosida interaction through electrons in a heavy metal with Rashba spin orbit interaction (SOI). Next, we study the dependences of the DMI on the Rashba SOI, lattice constant, and chemical potential. We find that the DMI amplitude increases linearly when the Rashba SOI is small, has a maximum when the Rashba SOI is comparable to the hopping integral, and decreases when the Rashba SOI is large. The sign of the DMI not only changes depending on the sign of the Rashba SOI but also the lattice constants and the chemical potential of the heavy metal. The implications of the obtained results for experiments are discussed. (author)

EXAFS characterization of supported metal catalysts in chemically dynamic environments

International Nuclear Information System (INIS)

Robota, H.J.

1991-01-01

Characterization of catalysts focuses on the identification of an active site responsible for accelerating desirable chemical reactions. The identification, characterization, and selective modification of such sites is fundamental to the development of structure-function relationships. Unfortunately, this goal is far from realized in nearly all catalysts, and particularly in catalysts comprised of small supported metal particles. X-ray absorption spectroscopy (XAS) has had a dramatic effect on our understanding of supported metal particles in their resting state. However, the performance of a catalyst can not be assessed from such simple resting state measurements. Among the factors which influence catalyst performance are the exact catalyst composition, including the support and any modifiers; particle size; catalyst finishing and pretreatment conditions; pressure, composition, and temperature of the operating environment; time. Gaining an understanding of how the structure of a catalytic site can change with such an array of variables requires that we begin to develop measurement methods which are effective under chemically dynamic conditions. Ideally, it should be possible to obtain a full X-ray absorption spectrum of each element thought to have a causal relationship with observed catalyst properties. From these spectra, we can optimally extract only a relatively limited amount of information which we must then piece together with information derived from other characterization methods and intuition to arrive at a hypothetical structure of the operating catalyst. Information about crystallinity, homogeneity, and general disorder can be obtained from the Debye-Waller factor. Finally, through analogy with known compounds, the electronic structure of the active atoms can be inferred from near edge absorption features

Recent Progress in Self-Supported Metal Oxide Nanoarray Electrodes for Advanced Lithium-Ion Batteries.

Science.gov (United States)

Zhang, Feng; Qi, Limin

2016-09-01

The rational design and fabrication of electrode materials with desirable architectures and optimized properties has been demonstrated to be an effective approach towards high-performance lithium-ion batteries (LIBs). Although nanostructured metal oxide electrodes with high specific capacity have been regarded as the most promising alternatives for replacing commercial electrodes in LIBs, their further developments are still faced with several challenges such as poor cycling stability and unsatisfying rate performance. As a new class of binder-free electrodes for LIBs, self-supported metal oxide nanoarray electrodes have many advantageous features in terms of high specific surface area, fast electron transport, improved charge transfer efficiency, and free space for alleviating volume expansion and preventing severe aggregation, holding great potential to solve the mentioned problems. This review highlights the recent progress in the utilization of self-supported metal oxide nanoarrays grown on 2D planar and 3D porous substrates, such as 1D and 2D nanostructure arrays, hierarchical nanostructure arrays, and heterostructured nanoarrays, as anodes and cathodes for advanced LIBs. Furthermore, the potential applications of these binder-free nanoarray electrodes for practical LIBs in full-cell configuration are outlined. Finally, the future prospects of these self-supported nanoarray electrodes are discussed.

Redox behavior of transition metal ions in zeolites--7. Characterization of a nickel metal phase in zeolite NaY

Energy Technology Data Exchange (ETDEWEB)

Jacobs, P.A. (Katholieke Univ. Leuven); Derouane, E.G.; Nijs, H.; Verdonck, J.; Gilson, J.P.; Simoens, A.J.

1979-01-01

NiY zeolite was calcined under steaming and nonsteaming conditions, at 823/sup 0/ and 1200/sup 0/K, respectively, then reduced in hydrogen at 673/sup 0/ to 873/sup 0/K for two hours. Characterization of the Ni(0) metal phase by temperature programed reduction and oxidation techniques and by ferromagnetic resonance spectroscopy indicated a bidisperse metal particle size distribution. Inside the zeolite, small Ni(0) particles were found, the sizes of which were limited by the dimensions of the supercage or of the structural defects occurring with high reduction temperatures; the particles interacted strongly with the support or were Vertical Bar3; 100Vertical Bar3< reduced. On the zeolite surface, large Ni(0) particles were formed which were ellipsoidal and completely reduced and did not interact with the support. Calcining under steaming conditions did not affect the reducibility of the nickel but did promote sintering during reduction.

Measuring interactivity on tobacco control websites.

Science.gov (United States)

Freeman, Becky; Chapman, Simon

2012-08-01

With the increased reach of Web 2.0, Internet users expect webpages to be interactive. No studies have been conducted to assess whether tobacco control-relevant sites have implemented these features. The authors conducted an analysis of an international sample of tobacco control-relevant websites to determine their level of interactivity. The sample included 68 unique websites selected from Google searches in 5 countries, on each country's Google site, using the term smoking. The 68 sites were analyzed for 10 categories of interactive tools. The most common type of interactive content found on 46 (68%) of sites was for multimedia featuring content that was not primarily text based, such as photo galleries, videos, or podcasts. Only 11 (16%) websites-outside of media sites-allowed people to interact and engage with the site owners and other users by allowing posting comments on content and/or hosting forums/discussions. Linkages to social networking sites were low: 17 pages (25%) linked to Twitter, 15 (22%) to Facebook, and 11 (16%) to YouTube. Interactivity and connectedness to online social media appears to still be in its infancy among tobacco control-relevant sites.

Control the polarization state of light with symmetry-broken metallic metastructures

International Nuclear Information System (INIS)

Xiong, Xiang; Jiang, Shang-Chi; Hu, Yuan-Sheng; Hu, Yu-Hui; Wang, Zheng-Han; Peng, Ru-Wen; Wang, Mu

2015-01-01

Controlling the polarization state, the transmission direction, the amplitude and the phase of light in a very limited space is essential for the development of on-chip photonics. Over the past decades, numerous sub-wavelength metallic microstructures have been proposed and fabricated to fulfill these demands. In this article, we review our efforts in achieving negative refractive index, controlling the polarization state, and tuning the amplitude of light with two-dimensional (2D) and three-dimensional (3D) microstructures. We designed an assembly of stacked metallic U-shaped resonators that allow achieving negative refraction for pure magnetic and electric responses respectively at the same frequency by selecting the polarization of incident light. Based on this, we tune the permittivity and permeability of the structure, and achieve negative refractive index. Further, by control the excitation and radiation of surface electric current on a number of 2D and 3D asymmetric metallic metastructures, we are able to control the polarization state of light. It is also demonstrated that with a stereostructured metal film, the whole metal surfaces can be used to construct either polarization-sensitive or polarization-insensitive prefect absorbers, with the advantage of efficient heat dissipation and electric conductivity. Our practice shows that metamaterials, including metasurface, indeed help to master light in nanoscale, and are promising in the development of new generation of photonics

Liquid metal actuation by electrical control of interfacial tension

Energy Technology Data Exchange (ETDEWEB)

Eaker, Collin B.; Dickey, Michael D., E-mail: michael-dickey@ncsu.edu [Department of Chemical and Biomolecular Engineering, North Carolina State University, 911 Partners Way, Raleigh, North Carolina 27695 (United States)

2016-09-15

By combining metallic electrical conductivity with low viscosity, liquid metals and liquid metal alloys offer new and exciting opportunities to serve as reconfigurable components of electronic, microfluidic, and electromagnetic devices. Here, we review the physics and applications of techniques that utilize voltage to manipulate the interfacial tension of liquid metals; such techniques include electrocapillarity, continuous electrowetting, electrowetting-on-dielectric, and electrochemistry. These techniques lower the interfacial tension between liquid metals and a surrounding electrolyte by driving charged species (or in the case of electrochemistry, chemical species) to the interface. The techniques are useful for manipulating and actuating liquid metals at sub-mm length scales where interfacial forces dominate. We focus on metals and alloys that are liquid near or below room temperature (mercury, gallium, and gallium-based alloys). The review includes discussion of mercury—despite its toxicity—because it has been utilized in numerous applications and it offers a way of introducing several phenomena without the complications associated with the oxide layer that forms on gallium and its alloys. The review focuses on the advantages, applications, opportunities, challenges, and limitations of utilizing voltage to control interfacial tension as a method to manipulate liquid metals.

Mechanisms of Heavy Metal Sequestration in Soils: Plant-Microbe Interactions and Organic Matter Aging

Energy Technology Data Exchange (ETDEWEB)

Teresa W.-M. Fan; Richard M. Higashi; David Crowley; Andrew N. Lane: Teresa A. Cassel; Peter G. Green

2004-12-31

For stabilization of heavy metals at contaminated sites, the three way interaction among soil organic matter (OM)-microbes-plants, and their effect on heavy metal binding is critically important for long-term sustainability, a factor that is poorly understood at the molecular level. Using a soil aging system, the humification of plant matter such as wheat straw was probed along with the effect on microbial community on soil from the former McClellan Air Force Base.

The UK's Levy Control Framework for renewable electricity support: Effects and significance

International Nuclear Information System (INIS)

Lockwood, Matthew

2016-01-01

There is a long-standing debate over price vs. quantity approaches to supporting the deployment of renewable electricity technologies. In the context of a recent shift from quantity to price-based support, the UK has also introduced a new form of budgetary framework, the Levy Control Framework (LCF). The introduction of the LCF has been very important for investors but has received relatively little attention in the academic literature. The paper gives an overview of the LCF, explores its effects on renewables policy, on consumers and on investor confidence arguing that an unintended consequence of its introduction has been to increase uncertainty, through interactions with underlying support mechanisms. A number of problems with the current scope and design of the LCF are noted. It is argued that the LCF is best understood as aimed at avoiding a political backlash against renewable support policy in a context where the benefits of such policy are concentrated economically and socially. The paper concludes by placing the LCF within a wider context of a shift towards greater budgetary control over renewable energy support policy across European countries. - Highlights: • Gives an description of the Levy Control Framework. • Analyses the effects of the LCF on UK renewable policy. • Reviews possible purposes of the LCF. • Evaluates the effects of the LCF on consumers and investors. • Places the LCF in context of greater cost control over renewables across the EU.

Interactivity in automatic control: foundations and experiences

OpenAIRE

Dormido Bencomo, Sebastián; Guzmán Sánchez, José Luis; Costa Castelló, Ramon; Berenguel, M

2012-01-01

The first part of this paper presents the concepts of interactivity and visualization and its essential role in learning the fundamentals and techniques of automatic control. More than 10 years experience of the authors in the development and design of interactive tools dedicated to the study of automatic control concepts are also exposed. The second part of the paper summarizes the main features of the “Automatic Control with Interactive Tools” text that has been recently published by Pea...

Association between Concentrations of Metals in Urine and Adult Asthma: A Case-Control Study in Wuhan, China.

Directory of Open Access Journals (Sweden)

Xiji Huang

Full Text Available Several metals have been reported to be associated with childhood asthma. However, the results on relationships between metals and risk of childhood asthma are inconclusive, and the research on adult asthma in the Chinese general population is rare.To investigate potential associations between levels of urinary metals and adult asthma.A case-control study of 551 adult asthma cases and 551 gender- and age-matched controls was conducted in Wuhan, China. Demographic information was obtained, and lung function was assessed. The urinary concentrations of 22 metals were measured by inductively coupled plasma mass spectrometry.After adjusting for other metalsand other covariates, urinary cadmium, molybdenum, chromium, copper, uranium and selenium were positively associated with asthma, with odds ratios (95% CI of 1.69 (1.00, 2.85, 3.76 (2.30, 6.16, 4.89 (3.04, 7.89, 6.06 (3.27, 11.21, 6.99 (4.37, 11.19 and 9.17 (4.16, 20.21, respectively. By contrast, urinary lead, barium, iron, zinc, nickel, manganese and rubidium were negatively associated with asthma, with odds ratios (95% CI of 0.48 (0.29, 0.80, 0.44 (0.27, 0.71, 0.41 (0.26, 0.64, 0.40 (0.24, 0.66, 0.30 (0.22, 0.41, 0.23 (0.14, 0.39 and 0.07 (0.03, 0.15, respectively. When comparing urinary metals in different subgroups of cases with those in matched controls, the associations of above 13 metals with asthma prevalence were nearly the same.Our results suggested that asthma prevalence in the Chinese adults was positively associated with urinary chromium, chromium, selenium, molybdenum, cadmium, and uranium, and negatively associated with urinary manganese, iron, nickel, zinc, rubidium, barium and lead. Additional research with larger populations in different regions is required to support our findings.

Sodium-cooled Fast Reactor Cores using Uranium-Free Metallic Fuels for Maximizing TRU Support Ratio

International Nuclear Information System (INIS)

You, WuSeung; Hong, Ser Gi

2014-01-01

The depleted uranium plays important roles in the SFR burner cores because it substantially contributes to the inherent safety of the core through the negative Doppler coefficient and large delayed neutron. However, the use of depleted uranium as a diluent nuclide leads to a limited value of TRU support ratio due to the generation of TRUs through the breeding. In this paper, we designed sodium cooled fast reactor (SFR) cores having uranium-free fuels 3,4 for maximization of TRU consumption rate. However, the uranium-free fuelled burner cores can be penalized by unacceptably small values of the Doppler coefficient and small delayed neutron fraction. In this work, metallic fuels of TRU-(W or Ni)-Zr are considered to improve the performances of the uranium-free cores. The objective of this work is to consistently compare the neutronic performances of uranium-free sodium cooled fast reactor cores having TRU-Zr metallic fuels added with Ni or W and also to clarify what are the problematic features to be resolved. In this paper, a consistent comparative study of 400MWe sodium cooled burner cores having uranium-based fuels and uranium-free fuels was done to analyze the relative core neutronic features. Also, we proposed a uranium-free metallic fuel based on Nickel. From the results, it is found that tungsten-based uranium-free metallic fuel gives large negative Doppler coefficient due to high resonance of tungsten isotopes but this core has large sodium void worth and small effective delayed neutron fraction while the nickel-based uranium-free metallic fuelled core has less negative Doppler coefficient but smaller sodium void worth and larger effective delayed neutron fraction than the tungsten-based one. On the other hand, the core having TRU-Zr has very high burnup reactivity swing which may be problematic in compensating it using control rods and the least negative Doppler coefficient

78 FR 63517 - Control of Ferrite Content in Stainless Steel Weld Metal

Science.gov (United States)

2013-10-24

... NUCLEAR REGULATORY COMMISSION [NRC-2012-0231] Control of Ferrite Content in Stainless Steel Weld... Ferrite Content in Stainless Steel Weld Metal.'' This guide (Revision 4) describes a method that the NRC staff considers acceptable for controlling ferrite content in stainless steel weld metal. It updates the...

HI-VISUAL: A language supporting visual interaction in programming

International Nuclear Information System (INIS)

Monden, N.; Yoshino, Y.; Hirakawa, M.; Tanaka, M.; Ichikawa, T.

1984-01-01

This paper presents a language named HI-VISUAL which supports visual interaction in programming. Following a brief description of the language concept, the icon semantics and language primitives characterizing HI-VISUAL are extensively discussed. HI-VISUAL also shows a system extensively discussed. HI-VISUAL also shows a system extendability providing the possibility of organizing a high level application system as an integration of several existing subsystems, and will serve to developing systems in various fields of applications supporting simple and efficient interactions between programmer and computer. In this paper, the authors have presented a language named HI-VISUAL. Following a brief description of the language concept, the icon semantics and language primitives characterizing HI-VISUAL were extensively discussed

Zirconium Phosphate Supported MOF Nanoplatelets.

Science.gov (United States)

Kan, Yuwei; Clearfield, Abraham

2016-06-06

We report a rare example of the preparation of HKUST-1 metal-organic framework nanoplatelets through a step-by-step seeding procedure. Sodium ion exchanged zirconium phosphate, NaZrP, nanoplatelets were judiciously selected as support for layer-by-layer (LBL) assembly of Cu(II) and benzene-1,3,5-tricarboxylic acid (H3BTC) linkers. The first layer of Cu(II) is attached to the surface of zirconium phosphate through covalent interaction. The successive LBL growth of HKUST-1 film is then realized by soaking the NaZrP nanoplatelets in ethanolic solutions of cupric acetate and H3BTC, respectively. The amount of assembled HKUST-1 can be readily controlled by varying the number of growth cycles, which was characterized by powder X-ray diffraction and gas adsorption analyses. The successful construction of HKUST-1 on NaZrP was also supported by its catalytic performance for the oxidation of cyclohexene.

Interaction of concretes with oxide + metal corium. The VULCANO VBS series

International Nuclear Information System (INIS)

Journeau, Christophe; Bonnet, Jean-Michel; Ferry, Lionel; Haquet, Jean-Francois; Piluso, Pascal

2009-01-01

In the hypothetical case of a severe accident, the reactor core could melt and the formed mixture, called corium, could melt through the vessel and interact with the reactor pit concrete. Corium is made from a UO 2 -rich oxidic part, in which most of the decay heat is dissipated, and a metallic part, mainly molten steel. Up to now, due to experimental constraints, most of the experiments have been performed with solely oxidic prototypic corium, or where designed so that most of the simulated decay heat was dissipated in the metallic layer. An experimental program has been set up in the VULCANO facility in which oxidic and metallic mixtures are melted in separate furnaces and poured in a concrete cavity. Induction heating is provided to the pool upper part thanks to shielding coils, so that, in case of stratification, the lighter oxidic corium-concrete mixture receives most of the power. Three experiments have been conducted: one with a limestone-rich concrete and two with a silica-rich concrete. Metal stratification has been determined from modifications of the corium electrical properties in front of the inductor and is in good accordance with calculations. Concrete ablation has been monitored. A significant vertical ablation has been observed, even in case of silica-rich concretes, for which largely radial ablation has been observed in the case of pure oxidic corium melts. Post Test Examinations have shown unexpected repartitions of metal in the pool. (author)

Retentiveness of implant-supported metal copings using different luting agents

Directory of Open Access Journals (Sweden)

Farahnaz Nejatidanesh

2012-01-01

Full Text Available Background: With regard to potential retrievability of cement-retained implant restorations, the retentive strength of the luting agents is critical. The aim of this study was to evaluate the retention values of implant-supported metal copings using different luting agents. Materials and Methods: Twenty ITI implant analogs and solid abutments of 5.5-mm height were embedded vertically in autopolymerizing acrylic resin blocks. Metal copings with a loop on the occlusal surface were fabricated using base metal alloy (Rexillium III. The copings were luted using eight cements with different retention mechanisms (Panavia F2.0, Fuji Plus, Fleck′s, Poly F, Fuji I, Temp Bond, GC-free eugenol, and TempSpan under static load of 5 kg (n=10. All specimens were incubated at 37°C for 24 hours, conditioned in artificial saliva for 7 days and thermocycled for 5000 cycles (5-55°C. The dislodging force was measured using a universal testing machine at a crosshead speed of 5 mm/min. Statistical analyses were performed using Kruskal-Wallis (α=0.05 and Mann-Whitney tests with Bonferroni correction (α=0.001. Results: Fuji Plus and TempSpan had the highest and the least mean retentive strength, respectively (320.97±161.47, 3.39±2.33. There was no significant difference between Fuji Plus, Fleck′s, Ploy F, and Panavia F2.0. These cements were superior to provisional cements and Fuji I (P<0.001 which showed statistically same retentive strength. Conclusion: Within the conditions of this study, the resin modified glass ionomer, zinc phosphate, zinc polycarboxylate, and Panavia F2.0 had statistically the same retentive quality and are recommended for definitive cementation of single implant-supported restorations. The provisional cements and glass ionomer may allow retrievability of these restorations.

The influence of soil organic carbon on interactions between microbial parameters and metal concentrations at a long-term contaminated site

Energy Technology Data Exchange (ETDEWEB)

Muhlbachova, G. [Crop Research Institute, Drnovska 507, 161 06 Prague 6, Ruzyne (Czech Republic); Sagova-Mareckova, M., E-mail: sagova@vurv.cz [Crop Research Institute, Drnovska 507, 161 06 Prague 6, Ruzyne (Czech Republic); Omelka, M. [Charles University, Faculty of Mathematics and Physics, Dept. of Probability and Mathematical Statistics, Prague 8, Karlin (Czech Republic); Szakova, J.; Tlustos, P. [Czech University of Life Sciences, Department of Agroenvironmental Chemistry and Plant Nutrition, Prague 6, Suchdol (Czech Republic)

2015-01-01

The effects of lead, zinc, cadmium, arsenic and copper deposits on soil microbial parameters were investigated at a site exposed to contamination for over 200 years. Soil samples were collected in triplicates at 121 sites differing in contamination and soil organic carbon (SOC). Microbial biomass, respiration, dehydrogenase activity and metabolic quotient were determined and correlated with total and extractable metal concentrations in soil. The goal was to analyze complex interactions between toxic metals and microbial parameters by assessing the effect of soil organic carbon in the relationships. The effect of SOC was significant in all interactions and changed the correlations between microbial parameters and metal fractions from negative to positive. In some cases, the effect of SOC was combined with that of clay and soil pH. In the final analysis, dehydrogenase activity was negatively correlated to total metal concentrations and acetic acid extractable metals, respiration and metabolic quotient were to ammonium nitrate extractable metals. Dehydrogenase activity was the most sensitive microbial parameter correlating most frequently with contamination. Total and extractable zinc was most often correlated with microbial parameters. The large data set enabled robust explanation of discrepancies in organic matter functioning occurring frequently in analyzing of contaminated soil processes. - Highlights: • Soil organic carbon affected all interactions between metals and microorganisms. • Soil organic carbon adjustment changed correlations from positive to negative. • Ammonium nitrate extractable metals were the most influencing fraction. • Dehydrogenase activity was the most affected soil parameter. • Zinc was the most toxic metal among studied metals.

The influence of soil organic carbon on interactions between microbial parameters and metal concentrations at a long-term contaminated site

International Nuclear Information System (INIS)

Muhlbachova, G.; Sagova-Mareckova, M.; Omelka, M.; Szakova, J.; Tlustos, P.

2015-01-01

The effects of lead, zinc, cadmium, arsenic and copper deposits on soil microbial parameters were investigated at a site exposed to contamination for over 200 years. Soil samples were collected in triplicates at 121 sites differing in contamination and soil organic carbon (SOC). Microbial biomass, respiration, dehydrogenase activity and metabolic quotient were determined and correlated with total and extractable metal concentrations in soil. The goal was to analyze complex interactions between toxic metals and microbial parameters by assessing the effect of soil organic carbon in the relationships. The effect of SOC was significant in all interactions and changed the correlations between microbial parameters and metal fractions from negative to positive. In some cases, the effect of SOC was combined with that of clay and soil pH. In the final analysis, dehydrogenase activity was negatively correlated to total metal concentrations and acetic acid extractable metals, respiration and metabolic quotient were to ammonium nitrate extractable metals. Dehydrogenase activity was the most sensitive microbial parameter correlating most frequently with contamination. Total and extractable zinc was most often correlated with microbial parameters. The large data set enabled robust explanation of discrepancies in organic matter functioning occurring frequently in analyzing of contaminated soil processes. - Highlights: • Soil organic carbon affected all interactions between metals and microorganisms. • Soil organic carbon adjustment changed correlations from positive to negative. • Ammonium nitrate extractable metals were the most influencing fraction. • Dehydrogenase activity was the most affected soil parameter. • Zinc was the most toxic metal among studied metals

Parallel Vortex Body Interaction Enabled by Active Flow Control

Science.gov (United States)

Weingaertner, Andre; Tewes, Philipp; Little, Jesse

2017-11-01

An experimental study was conducted to explore the flow physics of parallel vortex body interaction between two NACA 0012 airfoils. Experiments were carried out at chord Reynolds numbers of 740,000. Initially, the leading airfoil was characterized without the target one being installed. Results are in good agreement with thin airfoil theory and data provided in the literature. Afterward, the leading airfoil was fixed at 18° incidence and the target airfoil was installed 6 chord lengths downstream. Plasma actuation (ns-DBD), originating close to the leading edge, was used to control vortex shedding from the leading airfoil at various frequencies (0.04 governing parameters of this vortex body interaction are explored. This work was supported by the Army Research Office under ARO Grant No. W911NF-14-1-0662.

Sorbent control of trace metals in sewage sludge combustion and incineration

Science.gov (United States)

Naruse, I.; Yao, H.; Mkilaha, I. S. N.

2003-05-01

Coal and wastes combustion have become an important issue not only in terms of energy generation but also environmental conservation. The need for alternative fuels and wastes management has made the two energy sources of importance. However, the utilization of the two is faced with problems of impurity trace metals in the fuel. These metals usually speciate during combustion or incineration leading to generation of fumes and subsequently particles. This paper reports on the study aimed at understanding the speciation of trace metals and their emission from combustion systems as particulates. Experiments carried out using a down-flow furnace and theoretical study carried out using lead, chromium and cadmium as basic metals had shown that their speciation and subsequent emission is controlled by both chemical composition and physical properties of the fuel. The physical and chemical and physical properties of the fuel and their respective compounds and the operating conditions of the incineration and combustion system control the enrichment of the particles with trace metals.

XPS analysis of supported catalysts prepared in water-in-oil microemulsion system

International Nuclear Information System (INIS)

Mohd Ambar Yarmo; Wong Hoi Jin; Tan Chew Khim; Anita Ramli; Shahidan Radiman

2002-01-01

Catalysts supported on γ-alumina prepared by water-in-oil microemulsion were studied by X-ray photoelectron spectroscopy for comparison with catalysts prepared by wet impregnation. Comparable shifts to higher binding energies indicated a metal-support interaction where metal obtained via microemulsion is very small in size and highly dispersed. The positive binding energy shifts could be explained from a net unit positive charge remaining on the cluster in the photoemission final state in addition to the metallic screening from a redistribution of states within the bands. (Author)

Ductility prediction of substrate-supported metal layers based on rate-independent crystal plasticity theory

Directory of Open Access Journals (Sweden)

Akpama Holanyo K.

2016-01-01

Full Text Available In this paper, both the bifurcation theory and the initial imperfection approach are used to predict localized necking in substrate-supported metal layers. The self-consistent scale-transition scheme is used to derive the mechanical behavior of a representative volume element of the metal layer from the behavior of its microscopic constituents (the single crystals. The mechanical behavior of the elastomer substrate follows the neo-Hookean hyperelastic model. The adherence between the two layers is assumed to be perfect. Through numerical results, it is shown that the limit strains predicted by the initial imperfection approach tend towards the bifurcation predictions when the size of the geometric imperfection in the metal layer vanishes. Also, it is shown that the addition of an elastomer layer to a metal layer enhances ductility.

Demonstrating electromagnetic control of free-surface, liquid-metal flows relevant to fusion reactors

Science.gov (United States)

Hvasta, M. G.; Kolemen, E.; Fisher, A. E.; Ji, H.

2018-01-01

Plasma-facing components (PFC’s) made from solid materials may not be able to withstand the large heat and particle fluxes that will be produced within next-generation fusion reactors. To address the shortcomings of solid PFC’s, a variety of liquid-metal (LM) PFC concepts have been proposed. Many of the suggested LM-PFC designs rely on electromagnetic restraint (Lorentz force) to keep free-surface, liquid-metal flows adhered to the interior surfaces of a fusion reactor. However, there is very little, if any, experimental data demonstrating that free-surface, LM-PFC’s can actually be electromagnetically controlled. Therefore, in this study, electrical currents were injected into a free-surface liquid-metal that was flowing through a uniform magnetic field. The resultant Lorentz force generated within the liquid-metal affected the velocity and depth of the flow in a controllable manner that closely matched theoretical predictions. These results show the promise of electromagnetic control for LM-PFC’s and suggest that electromagnetic control could be further developed to adjust liquid-metal nozzle output, prevent splashing within a tokamak, and alter heat transfer properties for a wide-range of liquid-metal systems.

Core-control assembly with a fixed fuel support

International Nuclear Information System (INIS)

Challberg, R.C.

1993-01-01

A core-control assembly is described comprising: a control rod having a plurality of blades; a control-rod guide tube for guiding vertical motion of said control rod; a fuel support for supporting fuel bundles separated by said blades, said fuel support having an aperture conforming to a cross section of said control rod through said blades for preventing rotational movement of said control rod to a decoupling orientation when said control rod is between a maximum power position and a minimum power position, said minimum power position being above said maximum power position, said fuel support being supported by said control-rod guide tube; control-rod drive means for controlling vertical motion of said control rod, said control-rod drive means providing for vertical motion between said maximum power position and said minimum power position, said control-rod drive means providing for vertical movement to a decoupling position, said decoupling position being no lower than said minimum power position, said decoupling position being at a level sufficient to permit said control rod to rotate to a decoupling orientation relative to said fuel support; and coupling means for coupling said control rod to said control rod drive means, said coupling means being releasable by rotational movement of said control rod to said decoupling orientation relative to said control-rod drive means

Study of plasma formation in CW CO2 laser beam-metal surface interaction

Science.gov (United States)

Azharonok, V. V.; Vasilchenko, Zh V.; Golubev, Vladimir S.; Gresev, A. N.; Zabelin, Alexandre M.; Chubrik, N. I.; Shimanovich, V. D.

1994-04-01

An interaction of the cw CO2 laser beam and a moving metal surface has been studied. The pulsed and thermodynamical parameters of the surface plasma were investigated by optical and spectroscopical methods. The subsonic radiation wave propagation in the erosion plasma torch has been studied.

Radiation dose assessments to support evaluations of radiological control levels for recycling or reuse of materials and equipment

Energy Technology Data Exchange (ETDEWEB)

Hill, R.L.; Aaberg, R.L.; Baker, D.A.; Kennedy, W.E. Jr.

1995-07-01

Pacific Northwest Laboratory is providing Environmental Protection Support and Assistance to the USDOE, Office of Environmental Guidance. Air, Water, and Radiation Division. As part of this effort, PNL is collecting data and conducting technical evaluations to support DOE analyses of the feasibility of developing radiological control levels for recycling or reuse of metals, concrete, or equipment containing residual radioactive contamination from DOE operations. The radiological control levels will be risk-based, as developed through a radiation exposure scenario and pathway analysis. The analysis will include evaluation of relevant radionuclides, potential mechanisms of exposure, and both health and non-health-related impacts. The main objective of this report is to develop a methodology for establishing radiological control levels for recycle or reuse. This report provides the results of the radiation exposure scenario and pathway analyses for 42 key radionuclides generated during DOE operations that may be contained in metals or equipment considered for either recycling or reuse. The scenarios and information developed by the IAEA. Application of Exemption Principles to the Recycle and Reuse of Materials from Nuclear Facilities, are used as the initial basis for this study. The analyses were performed for both selected worker populations at metal smelters and for the public downwind of a smelter facility. Doses to the public downwind were estimated using the US (EPA) CAP88-PC computer code with generic data on atmospheric dispersion and population density. Potential non-health-related effects of residual activity on electronics and on film were also analyzed.

Radiation dose assessments to support evaluations of radiological control levels for recycling or reuse of materials and equipment

International Nuclear Information System (INIS)

Hill, R.L.; Aaberg, R.L.; Baker, D.A.; Kennedy, W.E. Jr.

1995-07-01

Pacific Northwest Laboratory is providing Environmental Protection Support and Assistance to the USDOE, Office of Environmental Guidance. Air, Water, and Radiation Division. As part of this effort, PNL is collecting data and conducting technical evaluations to support DOE analyses of the feasibility of developing radiological control levels for recycling or reuse of metals, concrete, or equipment containing residual radioactive contamination from DOE operations. The radiological control levels will be risk-based, as developed through a radiation exposure scenario and pathway analysis. The analysis will include evaluation of relevant radionuclides, potential mechanisms of exposure, and both health and non-health-related impacts. The main objective of this report is to develop a methodology for establishing radiological control levels for recycle or reuse. This report provides the results of the radiation exposure scenario and pathway analyses for 42 key radionuclides generated during DOE operations that may be contained in metals or equipment considered for either recycling or reuse. The scenarios and information developed by the IAEA. Application of Exemption Principles to the Recycle and Reuse of Materials from Nuclear Facilities, are used as the initial basis for this study. The analyses were performed for both selected worker populations at metal smelters and for the public downwind of a smelter facility. Doses to the public downwind were estimated using the US (EPA) CAP88-PC computer code with generic data on atmospheric dispersion and population density. Potential non-health-related effects of residual activity on electronics and on film were also analyzed

Interactive training improves workplace climate, knowledge, and support towards domestic violence.

Science.gov (United States)

Glass, Nancy; Hanson, Ginger C; Laharnar, Naima; Anger, W Kent; Perrin, Nancy

2016-07-01

As Intimate Partner Violence (IPV) affects the workplace, a supportive workplace climate is important. The study evaluated the effectiveness of an "IPV and the Workplace" training on workplace climate towards IPV. IPV training was provided to 14 intervention counties and 13 control counties (receiving training 6 months delayed). Measures included workplace climate surveys, IPV knowledge test, and workplace observations. (i) Training significantly improved supervisor knowledge on IPV and received positive evaluations, (ii) training improved workplace climate towards IPV significantly which was maintained over time, and (iii) after the training, supervisors provided more IPV information to employees and more IPV postings were available in the workplace. The study provides evidence to support on-site interactive, computer based training as a means for improved workplace safety. IPV and the Workplace training effectively increased knowledge and positively changed workplace climate. Am. J. Ind. Med. 59:538-548, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Making interactive decision support for patients a reality.

NARCIS (Netherlands)

Evans, R.W.; Elwyn, G.; Edwards, A.

2004-01-01

Interactive decision support applications might help patients to make difficult decisions about their health care. They lie in the context of traditional decision aids, which are known to have effects on a number of patient outcomes, including knowledge and decisional conflict. The problem of

Supporting Social Interaction in Intelligent Competence Development Systems

NARCIS (Netherlands)

Sereno, Bertrand; Boursinou, Eleni; Maxwell, Katrina; Angehrn, Albert

2007-01-01

Sereno, B., Boursinou, E., Maxwell, K., & Angehrn, A. A. (2007). Supporting Social Interaction in Intelligent Competence Development Systems. In D. Griffiths, R. Koper & O. Liber (Eds.), Proceedings of the 2nd TENCompetence Open Workshop (pp. 29-35). January, 11-12, 2007, Manchester, United Kingdom.

Stability of metal organic frameworks and interaction of small gas molecules in these materials

Science.gov (United States)

Tan, Kui

The work in this dissertation combines spectroscopy ( in-situ infrared absorption and Raman), powder X-ray diffraction and DFT calculations to study the stability of metal organic frameworks materials (MOFs) in the presence of water vapor and other corrosive gases (e.g., SO 2, NO2 NO), and the interaction and competitive co-adsorption of several gases within MOFs by considering two types of prototypical MOFs: 1) a MOF with saturated metal centers based on paddlewheel secondary building units: M(bdc)(ted)0.5 [M=Cu, Zn, Ni, Co, bdc = 1,4-benzenedicarboxylate, ted = triethylenediamine], and 2) a MOF with unsaturated metal centers: M2(dobdc) [M=Mg2+, Zn2+, Ni2+, Co2+ and dobdc = 2,5-dihydroxybenzenedicarboxylate]. We find that the stability of MOFs to water vapor critically depends on their structure and the specific metal cation in the building units. For M(bdc)(ted)0.5, the metal-bdc bond is the most vulnerable for Cu(bdc)(ted)0.5, while the metal-ted bond is first attacked for the Zn and Co analogs. In contrast, Ni(bdc)(ted)0.5 remains stable under the same conditions. For M2(dobdc), or MOF-74, the weak link is the dobdc-metal bond. The water molecule is dissociatively adsorbed at the metal-oxygen group with OH adsorption directly on the metal center and H adsorption on the bridging O of the phenolate group in the dobdc linker. Other technologically important molecules besides water, such as NO, NO2, SO2, tend to poison M2(dobdc) through dissociative or molecular adsorption onto the open metal sites. A high uptake SO2 capacity was measured in M(bdc)(ted)0.5, attributed to multipoint interactions between the guest SO2 molecule and the MOF host. In the case of competitive co-adsorption between CO2 and other small molecules, we find that binding energy alone is not a good indicator of molecular site occupation within the MOF (i.e., it cannot successfully predict and evaluate the displacement of CO2 by other molecules). Instead, we show that the kinetic barrier for the

A Distributed Control System Prototyping Environment to Support Control Room Modernization

Energy Technology Data Exchange (ETDEWEB)

Lew, Roger Thomas [Idaho National Lab. (INL), Idaho Falls, ID (United States); Boring, Ronald Laurids [Idaho National Lab. (INL), Idaho Falls, ID (United States); Ulrich, Thomas Anthony [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2014-12-01

Operators of critical processes, such as nuclear power production, must contend with highly complex systems, procedures, and regulations. Developing human-machine interfaces (HMIs) that better support operators is a high priority for ensuring the safe and reliable operation of critical processes. Human factors engineering (HFE) provides a rich and mature set of tools for evaluating the performance of HMIs, however the set of tools for developing and designing HMIs is still in its infancy. Here we propose a rapid prototyping approach for integrating proposed HMIs into their native environments before a design is finalized. This approach allows researchers and developers to test design ideas and eliminate design flaws prior to fully developing the new system. We illustrate this approach with four prototype designs developed using Microsoft’s Windows Presentation Foundation (WPF). One example is integrated into a microworld environment to test the functionality of the design and identify the optimal level of automation for a new system in a nuclear power plant. The other three examples are integrated into a full-scale, glasstop digital simulator of a nuclear power plant. One example demonstrates the capabilities of next generation control concepts; another aims to expand the current state of the art; lastly, an HMI prototype was developed as a test platform for a new control system currently in development at U.S. nuclear power plants. WPF possesses several characteristics that make it well suited to HMI design. It provides a tremendous amount of flexibility, agility, robustness, and extensibility. Distributed control system (DCS) specific environments tend to focus on the safety and reliability requirements for real-world interfaces and consequently have less emphasis on providing functionality to support novel interaction paradigms. Because of WPF’s large user-base, Microsoft can provide an extremely mature tool. Within process control applications,WPF is

Modeling Dzyaloshinskii-Moriya Interaction at Transition Metal Interfaces: Constrained Moment versus Generalized Bloch Theorem

KAUST Repository

Dong, Yao-Jun

2017-10-29

Dzyaloshinskii-Moriya interaction (DMI) at Pt/Co interfaces is investigated theoretically using two different first principles methods. The first one uses the constrained moment method to build a spin spiral in real space, while the second method uses the generalized Bloch theorem approach to construct a spin spiral in reciprocal space. We show that although the two methods produce an overall similar total DMI energy, the dependence of DMI as a function of the spin spiral wavelength is dramatically different. We suggest that long-range magnetic interactions, that determine itinerant magnetism in transition metals, are responsible for this discrepancy. We conclude that the generalized Bloch theorem approach is more adapted to model DMI in transition metal systems, where magnetism is delocalized, while the constrained moment approach is mostly applicable to weak or insulating magnets, where magnetism is localized.

Modeling Dzyaloshinskii-Moriya Interaction at Transition Metal Interfaces: Constrained Moment versus Generalized Bloch Theorem

KAUST Repository

Dong, Yao-Jun; Belabbes, Abderrezak; Manchon, Aurelien

2017-01-01

Dzyaloshinskii-Moriya interaction (DMI) at Pt/Co interfaces is investigated theoretically using two different first principles methods. The first one uses the constrained moment method to build a spin spiral in real space, while the second method uses the generalized Bloch theorem approach to construct a spin spiral in reciprocal space. We show that although the two methods produce an overall similar total DMI energy, the dependence of DMI as a function of the spin spiral wavelength is dramatically different. We suggest that long-range magnetic interactions, that determine itinerant magnetism in transition metals, are responsible for this discrepancy. We conclude that the generalized Bloch theorem approach is more adapted to model DMI in transition metal systems, where magnetism is delocalized, while the constrained moment approach is mostly applicable to weak or insulating magnets, where magnetism is localized.

Maternal Psychological Control, Use of Supportive Parenting, and Childhood Depressive Symptoms.

Science.gov (United States)

Frazer, Andrew L; Fite, Paula J

2016-06-01

The current study, operating from a stress-process framework, examined the interactive effects of supportive parenting practices (i.e., mothers' use of positive communication, positive parenting, and parental involvement) and maternal psychological control on mother- and child-reported child depressive symptoms in a community-recruited sample of 9-12 year-olds. Discrepancies between reports of depressive symptoms were also examined. Maternal psychological control was uniquely associated with child-, not mother-, reported depressive symptoms. Parental involvement was uniquely associated with mother-, not child-, reported depressive symptoms. Positive parent-child communication was associated with both reports of child depressive symptoms at the bivariate level, but not when unique associations were examined. Positive parenting was unrelated to either report of depressive symptoms. No interaction effects were detected. The current findings highlight the differential importance of parenting practices on child depressive symptoms, and also indicate the necessity of gathering both parent and child reports of symptomatology and family functioning.

Control Method for Variable Speed Wind Turbines to Support Temporary Primary Frequency Control

DEFF Research Database (Denmark)

Wang, Haijiao; Chen, Zhe; Jiang, Quanyuan

2014-01-01

This paper develops a control method for variable speed wind turbines (VSWTs) to support temporary primary frequency control of power system. The control method contains two parts: (1) up-regulate support control when a frequency drop event occurs; (2) down-regulate support control when a frequen...

Break-down of Losses in High Performing Metal-Supported Solid Oxide Fuel Cells

DEFF Research Database (Denmark)

Kromp, Alexander; Nielsen, Jimmi; Blennow Tullmar, Peter

2012-01-01

Metal supported SOFC designs offer competitive advantages such as reduced material costs and improved mechanical robustness. On the other hand, disadvantages might arise due to possible corrosion of the porous metal parts during processing and operation at high fuel utilization. In this paper we...... in hydrogen. The electrochemically active parts were applied by infiltrating CGO-Ni precursor solution into the porous metal and anode backbone and screenprinting (La,Sr)(Co,Fe)O3-based cathodes. To prevent a solid state reaction between cathode and zirconia electrolyte, CGO buffer layers were applied...... in between cathode and electrolyte. The detailed electrochemical characterization by means of impedance spectroscopy and a subsequent data analysis by the distribution of relaxation times enabled us to separate the different loss contributions in the cell. Based on an appropriate equivalent circuit model...

Frontier molecular orbitals of a single molecule adsorbed on thin insulating films supported by a metal substrate: electron and hole attachment energies.

Science.gov (United States)

Scivetti, Iván; Persson, Mats

2017-09-06

We present calculations of vertical electron and hole attachment energies to the frontier orbitals of a pentacene molecule absorbed on multi-layer sodium chloride films supported by a copper substrate using a simplified density functional theory (DFT) method. The adsorbate and the film are treated fully within DFT, whereas the metal is treated implicitly by a perfect conductor model. We find that the computed energy gap between the highest and lowest unoccupied molecular orbitals-HOMO and LUMO -from the vertical attachment energies increases with the thickness of the insulating film, in agreement with experiments. This increase of the gap can be rationalised in a simple dielectric model with parameters determined from DFT calculations and is found to be dominated by the image interaction with the metal. We find, however, that this simplified model overestimates the downward shift of the energy gap in the limit of an infinitely thick film.

Role of configuration management in improving quality of metal products

International Nuclear Information System (INIS)

Ali, U.; Kalsoom, T.

2007-01-01

The Configuration Management (CM) is an imperative discipline which helps in producing quality metal products for the customers. CM implements a graded approach to Configuration Items whose failure poses human as well as product losses. Effective CM provides information to Project Management, Quality Control, and Quality Assurance in identifying schedules and processes related to metal component production. The CM is a supportive function, mostly working side by side with Quality Assurance and Quality Control in the development / production of metal parts. The CM provides tools and guidelines for managing a product while Quality Assurance verifies and validates the same outside the scope of Configuration Audits. Configuration Management raises productivity of metal product, makes-available design reuse, reduces service and support costs, enhances visibility and eliminates rework on metal products. The elements of CM i.e. Identification, Control, Status Accounting and Audits playa vital role to enhance the quality of metal products. Only established CM System can make it possible to swing initial development criteria to final user friendly metal products. The challenges of today in our metal industry are to design and develop state-of-the-art products, for which, CM ideas given in this paper, will help to achieve all the set goals. (author)

Interfacial charge distributions in carbon-supported palladium catalysts

DEFF Research Database (Denmark)

Rao, Radhika G.; Blume, Raoul; Hansen, Thomas Willum

2017-01-01

Controlling the charge transfer between a semiconducting catalyst carrier and the supported transition metal active phase represents an elite strategy for fine turning the electronic structure of the catalytic centers, hence their activity and selectivity. These phenomena have been theoretically...... and experimentally elucidated for oxide supports but remain poorly understood for carbons due to their complex nanoscale structure. Here, we combine advanced spectroscopy and microscopy on model Pd/C samples to decouple the electronic and surface chemistry effects on catalytic performance. Our investigations reveal...... treatments can be used to tune the interfacial charge distribution, hereby providing a strategy to rationally design carbon-supported catalysts.Control over charge transfer in carbon-supported metal nanoparticles is essential for designing new catalysts. Here, the authors show that thermal treatments...

Interaction of d(10) metal ions with thioether ligands: a thermodynamic and theoretical study.

Science.gov (United States)

Melchior, Andrea; Peralta, Elena; Valiente, Manuel; Tavagnacco, Claudio; Endrizzi, Francesco; Tolazzi, Marilena

2013-05-07

Thermodynamic parameters of complex formation between d(10) metal ions, such as Zn(2+), Cd(2+), Hg(2+) and Ag(+), and the macrocyclic thioether 1,4,7-trithiacyclononane ([9]AneS3) or the monodentate diethylsulfide (Et(2)S), in acetonitrile (AN) at 298.15 K, were studied by a systematic methodology including potentiometry, calorimetry and polarography. [9]AneS3 is able to form complexes with all the target cations, Et(2)S only reacts with Hg(2+) and Ag(+). Mononuclear ML(j) (j = 1, 2) complexes are formed with all the metal ions investigated, where the affinity order is Hg(2+) > Ag(+) > Cd(2+) ≈ Zn(2+) when L = [9]AneS3 and Hg(2+) > Ag(+) when L = Et(2)S. Enthalpy and entropy values are generally negative, as a consequence of both metal ion interactions with neutral ligands, the reagents' loss of degrees of freedom and the release of solvating molecules. DFT calculations on the complexes formed with [9]AneS3 in vacuum and in AN are also carried out, to correlate experimental and theoretical thermodynamic values and to highlight the interplay between the direct metal-thioether interaction and the solvation effects. Trends obtained for the stability constants and enthalpies of the 1 : 1 and 1 : 2 complexes in solvent well reproduce the experimental ones for all the divalent metal ion complexes with [9]AneS3 and indicate the release of 3 AN molecules in the formation of each consecutive octahedral complex. In addition, calculated and experimental values for Ag(+) complex formation in solution suggest that in AgL(2) species [9]AneS3 ligands are not both tridentate.

Characterization of the core-shell interaction of differently stabilized transition-metal nanoparticles by means of X-ray absorption spectroscopy

International Nuclear Information System (INIS)

Bucher, S.

2002-05-01

Transition metal nanoparticles with different surfactants were investigated using X-ray absorption spectroscopy (XAS) to obtain information about the interaction between metal core and protecting shell. For tetraalkylammoniumchloride stabilized Pd- and Co-colloids, a detailed model of the interaction between the metal core and the stabilizing shell could be established, in which chlorine is the connecting element between the metal core and the organic protection cover. Different lengths of the alkyl-chains can cause different equilibrium positions for the chlorine atoms. At aluminum-organic stabilized Pt-colloids, Al K-XANES and Pt L III -XAS were carried out. In this case, it turned out that aluminum is the connecting element between metal core and protection shell. After modification of the shell by connecting different molecules to the outside of the shell, rearrangements of the shell could be observed. In contrast to the surfactant stabilized systems discussed above, metallic covers, especially gold coatings, of Co-particles did not lead to a complete protection shell. In all cases, the cobalt in the nanoparticles was oxidized. A core shell structure could not be verified for any of the metallic stabilized colloids. (orig.)

Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains

International Nuclear Information System (INIS)

Poulsen, R.; Overgaard, J.; Schulman, A.; Stergaard, C.; Murillo, C.; Spackman, M.; Iversen, B.

2009-01-01

Depending on the number of interstitial solvent molecules, n, crystals of the linear chain compound Co3(dipyridylamide)4Cl2·nCH2Cl2 adopt either symmetrical or unsymmetrical metal chain structures. We explore here the possible reasons for such behavior using Hirshfeld surface analysis of intermolecular interactions as well as the charge density determined from 100(1) K X-ray diffraction data on the unsymmetrical complex Co3(dipyridylamide)4Cl2·2.11CH2Cl2, u-1, and crystal structures of u-1 determined from single crystal synchrotron X-ray diffraction data at 20, 150, and 300 K. The new crystal structures are compared with previous structural results on a crystal with slightly different solvent content. This change in solvent content only affects the bond distances to atom Co(3), which are also strongly affected by temperature changes due to a spin crossover transition. Large differences in intermolecular interactions are revealed by the Hirshfeld surface analysis between symmetrical (s-1) and unsymmetrical (u-1) crystal solvates, suggesting that the molecular isomerism is strongly influenced by crystal packing effects. Topological analysis of the static electron density of u-1 suggests that there is direct metal-metal bonding for both the shorter Co(1)-Co(2) and the longer Co(2)-Co(3) contact. The approximate description of the system as a (Co2)2+-dimer and an isolated Co2+-ion is reflected in the character of the metal-ligand interactions, which are more ionic for the isolated Co(3) atom, and the topological charges Co(1)+0.50, Co(2)+0.77, and Co(3)+1.36. The two termini of u-1 are found to be very different, both in terms of structural surroundings as well as topology. The central Co(2) atom is similar to a cobalt atom in a tetragonally distorted octahedral environment resulting in preferred occupancy in the t2g orbitals. The Co(1) atom has significant deformation in the xz and yz planes (z along the chain axis, x and y toward ligands) reflecting covalent

Full controlling of Fano resonances in metal-slit superlattice.

Science.gov (United States)

Deng, Zi-Lan; Yogesh, Natesan; Chen, Xiao-Dong; Chen, Wen-Jie; Dong, Jian-Wen; Ouyang, Zhengbiao; Wang, Guo Ping

2015-12-18

Controlling of the lineshape of Fano resonance attracts much attention recently due to its wide capabilities for lasing, biosensing, slow-light applications and so on. However, the controllable Fano resonance always requires stringent alignment of complex symmetry-breaking structures and thus the manipulation could only be performed with limited degrees of freedom and narrow tuning range. Furthermore, there is no report so far on independent controlling of both the bright and dark modes in a single structure. Here, we semi-analytically show that the spectral position and linewidth of both the bright and dark modes can be tuned independently and/or simultaneously in a simple and symmetric metal-slit superlattice, and thus allowing for a free and continuous controlling of the lineshape of both the single and multiple Fano resonances. The independent controlling scheme is applicable for an extremely large electromagnetic spectrum range from optical to microwave frequencies, which is demonstrated by the numerical simulations with real metal and a microwave experiment. Our findings may provide convenient and flexible strategies for future tunable electromagnetic devices.