Shear Viscosity Coefficient of 5d Liquid Transition Metals

NASA Astrophysics Data System (ADS)

Thakor, P. B.; Sonvane, Y. A.; Gajjar, P. N.; Jani, A. R.

2011-07-01

In the present paper we have calculated shear viscosity coefficient (η) of 5 d liquid transition metals. To calculate effective pair potential ν(r) and pair distribution function g(r) we have used our own newly constructed model potential and Percus- Yevick hard sphere (PYHS) structure factor S(q) respectively. We have also investigated the effect of different correction function like Hartree (H), Taylor (T) and Sarkar et al. (S) on shear viscosity coefficient (η). Our newly constructed model potential successfully explains the shear viscosity coefficient (η) of 5 d liquid transition metals.

Synchrotron micro-scale measurement of metal distributions in Phragmites australis and Typha latifolia root tissue from an urban brownfield site

DOE PAGES

Feng, Huan; Qian, Yu; Gallagher, Frank J.; ...

2015-11-01

Liberty State Park in New Jersey, USA, is a “brownfield” site containing various levels of contaminants. To investigate metal uptake and distributions in plants on the brownfield site, Phragmites australis and Typha latifolia were collected in Liberty State Park during the growing season (May–September) in 2011 at two sites with the high and low metal loads, respectively. The objective of this study was to understand the metal (Fe, Mn, Cu, Pb and Zn) concentration and spatial distributions in P. australis and T. latifolia root systems with micro-meter scale resolution using synchrotron X-ray microfluorescence (μXRF) and synchrotron X-ray computed microtomography (μCMT)more » techniques. The root structure measurement by synchrotron μCMT showed that high X-ray attenuation substance appeared in the epidermis. Synchrotron μXRF measurement showed that metal concentrations and distributions in the root cross-section between epidermis and vascular tissue were statistically different. Significant correlations were found between metals (Cu, Mn, Pb and Zn) and Fe in the epidermis, implying that metals were scavenged by Fe oxides. The results from this study suggest that the expression of metal transport and accumulation within the root systems may be element specific. The information derived from this study can improve our current knowledge of the wetland plant ecological function in brownfield remediation.« less

From K giants to G dwarfs: stellar lifetime effects on metallicity distributions derived from red giants

NASA Astrophysics Data System (ADS)

Manning, Ellen M.; Cole, Andrew A.

2017-11-01

We examine the biases inherent to chemical abundance distributions when targets are selected from the red giant branch (RGB), using simulated giant branches created from isochrones. We find that even when stars are chosen from the entire colour range of RGB stars and over a broad range of magnitudes, the relative numbers of stars of different ages and metallicities, integrated over all stellar types, are not accurately represented in the giant branch sample. The result is that metallicity distribution functions derived from RGB star samples require a correction before they can be fitted by chemical evolution models. We derive simple correction factors for over- and under-represented populations for the limiting cases of single-age populations with a broad range of metallicities and of continuous star formation at constant metallicity; an important general conclusion is that intermediate-age populations (≈1-4 Gyr) are over-represented in RGB samples. We apply our models to the case of the Large Magellanic Cloud bar and show that the observed metallicity distribution underestimates the true number of metal-poor stars by more than 25 per cent; as a result, the inferred importance of gas flows in chemical evolution models could potentially be overestimated. The age- and metallicity-dependences of RGB lifetimes require careful modelling if they are not to lead to spurious conclusions about the chemical enrichment history of galaxies.

Generalized formula for electron emission taking account of the polaron effect

NASA Astrophysics Data System (ADS)

Barengolts, Yu A.; Beril, S. I.; Barengolts, S. A.

2018-01-01

A generalized formula is derived for the electron emission current as a function of temperature, field, and electron work function in a metal-dielectric system that takes account of the quantum nature of the image forces. In deriving the formula, the Fermi-Dirac distribution for electrons in a metal and the quantum potential of the image obtained in the context of electron polaron theory are used.

A geometrical optics polarimetric bidirectional reflectance distribution function for dielectric and metallic surfaces.

PubMed

Hyde, M W; Schmidt, J D; Havrilla, M J

2009-11-23

A polarimetric bidirectional reflectance distribution function (pBRDF), based on geometrical optics, is presented. The pBRDF incorporates a visibility (shadowing/masking) function and a Lambertian (diffuse) component which distinguishes it from other geometrical optics pBRDFs in literature. It is shown that these additions keep the pBRDF bounded (and thus a more realistic physical model) as the angle of incidence or observation approaches grazing and better able to model the behavior of light scattered from rough, reflective surfaces. In this paper, the theoretical development of the pBRDF is shown and discussed. Simulation results of a rough, perfect reflecting surface obtained using an exact, electromagnetic solution and experimental Mueller matrix results of two, rough metallic samples are presented to validate the pBRDF.

Metal-functionalized silicene for efficient hydrogen storage.

PubMed

Hussain, Tanveer; Chakraborty, Sudip; Ahuja, Rajeev

2013-10-21

First-principles calculations based on density functional theory are used to investigate the electronic structure along with the stability, bonding mechanism, band gap, and charge transfer of metal-functionalized silicene to envisage its hydrogen-storage capacity. Various metal atoms including Li, Na, K, Be, Mg, and Ca are doped into the most stable configuration of silicene. The corresponding binding energies and charge-transfer mechanisms are discussed from the perspective of hydrogen-storage compatibility. The Li and Na metal dopants are found to be ideally suitable, not only for strong metal-to-substrate binding and uniform distribution over the substrate, but also for the high-capacity storage of hydrogen. The stabilities of both Li- and Na-functionalized silicene are also confirmed through molecular dynamics simulations. It is found that both of the alkali metals, Li(+) and Na(+), can adsorb five hydrogen molecules, attaining reasonably high storage capacities of 7.75 and 6.9 wt %, respectively, with average adsorption energies within the range suitable for practical hydrogen-storage applications. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Solvent effect in sonochemical synthesis of metal-alloy nanoparticles for use as electrocatalysts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Okoli, Celest U.; Kuttiyiel, Kurian A.; Cole, Jesse

Nanomaterials are now widely used in the fabrication of electrodes and electrocatalysts. In this paper, we report a sonochemical study of the synthesis of molybdenum and palladium alloy nanomaterials supported on functionalized carbon material in various solvents: hexadecane, ethanol, ethylene glycol, polyethylene glycol (PEG 400) and Ionic liquids (ILs). The objective was to identify simple and more environmentally friendly design and fabrication methods for nanomaterial synthesis that are suitable as electrocatalysts in electrochemical applications. The particles size and distribution of nanomaterials were compared on two different carbons as supports: activated carbon and multiwall carbon nanotubes (MWCNTs). The results show thatmore » carbon materials functionalized with ILs in ethanol/deionized water mixture solvent produced smaller particles sizes (3.00 ± 0.05 nm) with uniform distribution while in PEG 400, functionalized materials produced 4.00 ± 1 nm sized particles with uneven distribution (range). In hexadecane solvents with Polyvinylpyrrolidone (PVP) as capping ligands, large particle sizes (14.00 ± 1 nm) were produced with wide particle size distribution. Finally, the metal alloy nanoparticles produced in ILs without any external reducing agent have potential to exhibit a higher catalytic activity due to smaller particle size and uniform distribution.« less

Solvent effect in sonochemical synthesis of metal-alloy nanoparticles for use as electrocatalysts

DOE PAGES

Okoli, Celest U.; Kuttiyiel, Kurian A.; Cole, Jesse; ...

2017-10-03

Nanomaterials are now widely used in the fabrication of electrodes and electrocatalysts. In this paper, we report a sonochemical study of the synthesis of molybdenum and palladium alloy nanomaterials supported on functionalized carbon material in various solvents: hexadecane, ethanol, ethylene glycol, polyethylene glycol (PEG 400) and Ionic liquids (ILs). The objective was to identify simple and more environmentally friendly design and fabrication methods for nanomaterial synthesis that are suitable as electrocatalysts in electrochemical applications. The particles size and distribution of nanomaterials were compared on two different carbons as supports: activated carbon and multiwall carbon nanotubes (MWCNTs). The results show thatmore » carbon materials functionalized with ILs in ethanol/deionized water mixture solvent produced smaller particles sizes (3.00 ± 0.05 nm) with uniform distribution while in PEG 400, functionalized materials produced 4.00 ± 1 nm sized particles with uneven distribution (range). In hexadecane solvents with Polyvinylpyrrolidone (PVP) as capping ligands, large particle sizes (14.00 ± 1 nm) were produced with wide particle size distribution. Finally, the metal alloy nanoparticles produced in ILs without any external reducing agent have potential to exhibit a higher catalytic activity due to smaller particle size and uniform distribution.« less

Synchrotron X-ray microfluorescence measurement of metal distributions in Phragmites australis root system in the Yangtze River intertidal zone

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feng, Huan; Zhang, Weiguo; Qian, Yu

2016-06-15

This study investigates the distributions of Br, Ca, Cl, Cr, Cu, K, Fe, Mn, Pb, Ti, V and Zn inPhragmites australisroot system and the function of Fe nanoparticles in scavenging metals in the root epidermis using synchrotron X-ray microfluorescence, synchrotron transmission X-ray microscope measurement and synchrotron X-ray absorption near-edge structure techniques. The purpose of this study is to understand the mobility of metals in wetland plant root systems after their uptake from rhizosphere soils.Phragmites australissamples were collected in the Yangtze River intertidal zone in July 2013. The results indicate that Fe nanoparticles are present in the root epidermis and thatmore » other metals correlate significantly with Fe, suggesting that Fe nanoparticles play an important role in metal scavenging in the epidermis.« less

Pair distribution function study and mechanical behavior of as-cast and structurally relaxed Zr-based bulk metallic glasses

NASA Astrophysics Data System (ADS)

Fan, Cang; Liaw, P. K.; Wilson, T. W.; Choo, H.; Gao, Y. F.; Liu, C. T.; Proffen, Th.; Richardson, J. W.

2006-12-01

Contrary to reported results on structural relaxation inducing brittleness in amorphous alloys, the authors found that structural relaxation actually caused an increase in the strength of Zr55Cu35Al10 bulk metallic glass (BMG) without changing the plasticity. Three dimensional models were rebuilt for the as-cast and structurally relaxed BMGs by reverse Monte Carlo (RMC) simulations based on the pair distribution function (PDF) measured by neutron scattering. Only a small portion of the atom pairs was found to change to more dense packing. The concept of free volume was defined based on the PDF and RMC studies, and the mechanism of mechanical behavior was discussed.

Mapping Brain Metals to Evaluate Therapies for Neurodegenerative Disease

PubMed Central

Popescu, Bogdan Florin Gh; Nichol, Helen

2013-01-01

The brain is rich in metals and has a high metabolic rate, making it acutely vulnerable to the toxic effects of endogenously produced free radicals. The abundant metals, iron and copper, transfer single electrons as they cycle between their reduced (Fe2+, Cu1+) and oxidized (Fe3+, Cu2+) states making them powerful catalysts of reactive oxygen species (ROS) production. Even redox inert zinc, if present in excess, can trigger ROS production indirectly by altering mitochondrial function. While metal chelators seem to improve the clinical outcome of several neurodegenerative diseases, their mechanisms of action remain obscure and the effects of long-term use are largely unknown. Most chelators are not specific to a single metal and could alter the distribution of multiple metals in the brain, leading to unexpected consequences over the long-term. We show here how X-ray fluorescence will be a valuable tool to examine the effect of chelators on the distribution and amount of metals in the brain. PMID:20553312

Theoretical study of the dependence of single impurity Anderson model on various parameters within distributional exact diagonalization method

NASA Astrophysics Data System (ADS)

Syaina, L. P.; Majidi, M. A.

2018-04-01

Single impurity Anderson model describes a system consisting of non-interacting conduction electrons coupled with a localized orbital having strongly interacting electrons at a particular site. This model has been proven successful to explain the phenomenon of metal-insulator transition through Anderson localization. Despite the well-understood behaviors of the model, little has been explored theoretically on how the model properties gradually evolve as functions of hybridization parameter, interaction energy, impurity concentration, and temperature. Here, we propose to do a theoretical study on those aspects of a single impurity Anderson model using the distributional exact diagonalization method. We solve the model Hamiltonian by randomly generating sampling distribution of some conducting electron energy levels with various number of occupying electrons. The resulting eigenvalues and eigenstates are then used to define the local single-particle Green function for each sampled electron energy distribution using Lehmann representation. Later, we extract the corresponding self-energy of each distribution, then average over all the distributions and construct the local Green function of the system to calculate the density of states. We repeat this procedure for various values of those controllable parameters, and discuss our results in connection with the criteria of the occurrence of metal-insulator transition in this system.

A general approach to homogeneous sub-nanometer metallic particle/graphene composites by S-coordinator

NASA Astrophysics Data System (ADS)

Wang, Senhao; Wang, Wei; Gu, Shangzhi; Zhang, Guoxin; Song, Ningning

2018-05-01

In this study, sulphur-modified reduced graphene oxide (S-rGO) was employed as substrate to investigate the growth mechanism of metal and metallic nanoparticles (NPs). It is observed that the monodispersed Au, SnO2, FeO(OH) and Co3S4 NPs in sub-nanometer (sub-nm) with narrow size distribution were successfully anchored on S-rGO, respectively. The results indicate that the S contained radicals, viz. the Cdbnd S and Csbnd Ssbnd C functional groups play an important role in determining the homogeneous distribution of NPs on S-rGO by providing active sites for the NPs anchoring and nucleation. In additional, as anode materials for lithium ion batteries (LIBs), the as-synthesized sub-nm sized Co3S4/S-rGO and SnO2/S-rGO composites show excellent Li storage performance. It could be stabilized at ca. 600 mAh/g after formation cycle with the coulombic efficiency of 98%. It is expected that the strategy of growing sub-nm sized metallic component onto graphene by applying sulphur functionalities could be utilized as a general method to prepare monodispersed graphene-based NPs with other metals, especially with transition metals in sub-nm sizes.

Recommended values of clean metal surface work functions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Derry, Gregory N., E-mail: gderry@loyola.edu; Kern, Megan E.; Worth, Eli H.

2015-11-15

A critical review of the experimental literature for measurements of the work functions of clean metal surfaces of single-crystals is presented. The tables presented include all results found for low-index crystal faces except cases that were known to be contaminated surfaces. These results are used to construct a recommended value of the work function for each surface examined, along with an uncertainty estimate for that value. The uncertainties are based in part on the error distribution for all measured work functions in the literature, which is included here. The metals included in this review are silver (Ag), aluminum (Al), goldmore » (Au), copper (Cu), iron (Fe), iridium (Ir), molybdenum (Mo), niobium (Nb), nickel (Ni), palladium (Pd), platinum (Pt), rhodium (Rh), ruthenium (Ru), tantalum (Ta), and tungsten (W)« less

MODELING OF METAL BINDING ON HUMIC SUBSTANCES USING THE NIST DATABASE: AN A PRIORI FUNCTIONAL GROUP APPROACH

EPA Science Inventory

Various modeling approaches have been developed for metal binding on humic substances. However, most of these models are still curve-fitting exercises-- the resulting set of parameters such as affinity constants (or the distribution of them) is found to depend on pH, ionic stren...

Detection of isolated protein-bound metal ions by single-particle cryo-STEM.

PubMed

Elad, Nadav; Bellapadrona, Giuliano; Houben, Lothar; Sagi, Irit; Elbaum, Michael

2017-10-17

Metal ions play essential roles in many aspects of biological chemistry. Detecting their presence and location in proteins and cells is important for understanding biological function. Conventional structural methods such as X-ray crystallography and cryo-transmission electron microscopy can identify metal atoms on protein only if the protein structure is solved to atomic resolution. We demonstrate here the detection of isolated atoms of Zn and Fe on ferritin, using cryogenic annular dark-field scanning transmission electron microscopy (cryo-STEM) coupled with single-particle 3D reconstructions. Zn atoms are found in a pattern that matches precisely their location at the ferroxidase sites determined earlier by X-ray crystallography. By contrast, the Fe distribution is smeared along an arc corresponding to the proposed path from the ferroxidase sites to the mineral nucleation sites along the twofold axes. In this case the single-particle reconstruction is interpreted as a probability distribution function based on the average of individual locations. These results establish conditions for detection of isolated metal atoms in the broader context of electron cryo-microscopy and tomography.

Detection of isolated protein-bound metal ions by single-particle cryo-STEM

PubMed Central

Elad, Nadav; Bellapadrona, Giuliano; Houben, Lothar; Sagi, Irit; Elbaum, Michael

2017-01-01

Metal ions play essential roles in many aspects of biological chemistry. Detecting their presence and location in proteins and cells is important for understanding biological function. Conventional structural methods such as X-ray crystallography and cryo-transmission electron microscopy can identify metal atoms on protein only if the protein structure is solved to atomic resolution. We demonstrate here the detection of isolated atoms of Zn and Fe on ferritin, using cryogenic annular dark-field scanning transmission electron microscopy (cryo-STEM) coupled with single-particle 3D reconstructions. Zn atoms are found in a pattern that matches precisely their location at the ferroxidase sites determined earlier by X-ray crystallography. By contrast, the Fe distribution is smeared along an arc corresponding to the proposed path from the ferroxidase sites to the mineral nucleation sites along the twofold axes. In this case the single-particle reconstruction is interpreted as a probability distribution function based on the average of individual locations. These results establish conditions for detection of isolated metal atoms in the broader context of electron cryo-microscopy and tomography. PMID:28973937

Visualizing nanoscale 3D compositional fluctuation of lithium in advanced lithium-ion battery cathodes

PubMed Central

Devaraj, A.; Gu, M.; Colby, R.; Yan, P.; Wang, C. M.; Zheng, J. M.; Xiao, J.; Genc, A.; Zhang, J. G.; Belharouak, I.; Wang, D.; Amine, K.; Thevuthasan, S.

2015-01-01

The distribution of cations in Li-ion battery cathodes as a function of cycling is a pivotal characteristic of battery performance. The transition metal cation distribution has been shown to affect cathode performance; however, Li is notoriously challenging to characterize with typical imaging techniques. Here laser-assisted atom probe tomography (APT) is used to map the three-dimensional distribution of Li at a sub-nanometre spatial resolution and correlate it with the distribution of the transition metal cations (M) and the oxygen. As-fabricated layered Li1.2Ni0.2Mn0.6O2 is shown to have Li-rich Li2MO3 phase regions and Li-depleted Li(Ni0.5Mn0.5)O2 regions. Cycled material has an overall loss of Li in addition to Ni-, Mn- and Li-rich regions. Spinel LiNi0.5Mn1.5O4 is shown to have a uniform distribution of all cations. APT results were compared to energy dispersive spectroscopy mapping with a scanning transmission electron microscope to confirm the transition metal cation distribution. PMID:26272722

Electronic structures and magnetic/optical properties of metal phthalocyanine complexes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baba, Shintaro; Suzuki, Atsushi, E-mail: suzuki@mat.usp.ac.jp; Oku, Takeo

2016-02-01

Electronic structures and magnetic / optical properties of metal phthalocyanine complexes were studied by quantum calculations using density functional theory. Effects of central metal and expansion of π orbital on aromatic ring as conjugation system on the electronic structures, magnetic, optical properties and vibration modes of infrared and Raman spectra of metal phthalocyanines were investigated. Electron and charge density distribution and energy levels near frontier orbital and excited states were influenced by the deformed structures varied with central metal and charge. The magnetic parameters of chemical shifts in {sup 13}C-nuclear magnetic resonance ({sup 13}C-NMR), principle g-tensor, A-tensor, V-tensor of electricmore » field gradient and asymmetry parameters derived from the deformed structures with magnetic interaction of nuclear quadruple interaction based on electron and charge density distribution with a bias of charge near ligand under crystal field.« less

Synchrotron X-ray microfluorescence measurement of metal distributions in Phragmites australis root system in the Yangtze River intertidal zone

DOE PAGES

Feng, Huan; Zhang, Weiguo; Qian, Yu; ...

2016-06-15

This paper investigates the distributions of Br, Ca, Cl, Cr, Cu, K, Fe, Mn, Pb, Ti, V and Zn in Phragmites australis root system and the function of Fe nanoparticles in scavenging metals in the root epidermis using synchrotron X-ray microfluorescence, synchrotron transmission X-ray microscope measurement and synchrotron X-ray absorption near-edge structure techniques. The purpose of this study is to understand the mobility of metals in wetland plant root systems after their uptake from rhizosphere soils. Phragmites australis samples were collected in the Yangtze River intertidal zone in July 2013. The results indicate that Fe nanoparticles are present in themore » root epidermis and that other metals correlate significantly with Fe, suggesting that Fe nanoparticles play an important role in metal scavenging in the epidermis.« less

Synchrotron X-ray microfluorescence measurement of metal distributions in Phragmites australis root system in the Yangtze River intertidal zone

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feng, Huan; Zhang, Weiguo; Qian, Yu

This paper investigates the distributions of Br, Ca, Cl, Cr, Cu, K, Fe, Mn, Pb, Ti, V and Zn in Phragmites australis root system and the function of Fe nanoparticles in scavenging metals in the root epidermis using synchrotron X-ray microfluorescence, synchrotron transmission X-ray microscope measurement and synchrotron X-ray absorption near-edge structure techniques. The purpose of this study is to understand the mobility of metals in wetland plant root systems after their uptake from rhizosphere soils. Phragmites australis samples were collected in the Yangtze River intertidal zone in July 2013. The results indicate that Fe nanoparticles are present in themore » root epidermis and that other metals correlate significantly with Fe, suggesting that Fe nanoparticles play an important role in metal scavenging in the epidermis.« less

Evaluating bandgap distributions of carbon nanotubes via scanning electron microscopy imaging of the Schottky barriers.

PubMed

He, Yujun; Zhang, Jin; Li, Dongqi; Wang, Jiangtao; Wu, Qiong; Wei, Yang; Zhang, Lina; Wang, Jiaping; Liu, Peng; Li, Qunqing; Fan, Shoushan; Jiang, Kaili

2013-01-01

We show that the Schottky barrier at the metal-single walled carbon nanotube (SWCNT) contact can be clearly observed in scanning electron microscopy (SEM) images as a bright contrast segment with length up to micrometers due to the space charge distribution in the depletion region. The lengths of the charge depletion increase with the diameters of semiconducting SWCNTs (s-SWCNTs) when connected to one metal electrode, which enables direct and efficient evaluation of the bandgap distributions of s-SWCNTs. Moreover, this approach can also be applied for a wide variety of semiconducting nanomaterials, adding a new function to conventional SEM.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Myneni, Satish C. B.; Fein, Jeremy; Mishra, Bhoopesh

Bacteria are ubiquitous in a wide-range of low temperature aqueous systems, and can strongly affect the distribution and transport of metals and radionuclides in the environment. However, the role of metal adsorption onto bacteria, via the reactive cell wall functional groups, has been largely overlooked. Previous macroscale metal sorption, and XAS studies have shown that carboxyl and phosphoryl functional groups to be the important metal binding groups on bacterial cell walls and the sulfhydryl groups were not considered. The goal of our investigation was to evaluate the density of the sulfhydryl sites on different bacterial cell membranes that are commonmore » to soil systems, the binding affinities of these reactive groups towards Hg, and how this binding modifies the speciation of Hg in the natural waters.« less

A (Sub)Micro-Scale Investigation of Fe Plaque Distribution in Selected Wetland Plant Root Epidermis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feng, Huan

This study focuses on investigation of the distribution of Fe plaque in the root epidermis of the selected wetland plant species (Phragmites australis, Typha latifolia and Spartina alterniflora) using synchrotron X-ray microfluoresces, X-ray absorption near edge structure and transmission X-ray microscope techniques with (sub)micro-scale resolution. The wetland plants were collected in Liberty State Park, New Jersey, USA, and Yangtze River intertidal zone, Shanghai, China, respectively, during the different time period. Although a number of early studies have reported that Fe-oxides can precipitate on the surface of aquatic plants in the rhizosphere to form iron plaque, the role of Fe plaquemore » in regulating metal biogeochemical cycle has been in discussion for decades. The results from this study show that Fe is mainly distributed in the epidermis non-uniformly, and the major Fe species is ferric Fe (Fe3+). This information is needed to make broad inferences about the relevant plant metal uptake mechanisms because Fe accumulation and distribution in the root system is important to understanding the metal transport processes that control the mobility of metals in plants. This study improves our understanding of Fe plaque distributions and speciation in the wetland plant root system, and helps us to understand the function of Fe plaque in metal transport and accumulation through the root system.« less

Total-scattering pair-distribution function of organic material from powder electron diffraction data

DOE PAGES

Gorelik, Tatiana E.; Billinge, Simon J. L.; Schmidt, Martin U.; ...

2015-04-01

This paper shows for the first time that pair-distribution function analyses can be carried out on organic and organo-metallic compounds from powder electron diffraction data. Different experimental setups are demonstrated, including selected area electron diffraction (SAED) and nanodiffraction in transmission electron microscopy (TEM) or nanodiffraction in scanning transmission electron microscopy (STEM) modes. The methods were demonstrated on organo-metallic complexes (chlorinated and unchlorinated copper-phthalocyanine) and on purely organic compounds (quinacridone). The PDF curves from powder electron diffraction data, called ePDF, are in good agreement with PDF curves determined from X-ray powder data demonstrating that the problems of obtaining kinematical scattering datamore » and avoiding beam-damage of the sample are possible to resolve.« less

THE AGES, METALLICITIES, AND ALPHA ELEMENT ENHANCEMENTS OF GLOBULAR CLUSTERS IN THE ELLIPTICAL NGC 5128: A HOMOGENEOUS SPECTROSCOPIC STUDY WITH GEMINI/GEMINI MULTI-OBJECT SPECTROGRAPH

DOE Office of Scientific and Technical Information (OSTI.GOV)

Woodley, Kristin A.; Harris, William E.; Puzia, Thomas H.

2010-01-10

We present new integrated light spectroscopy of globular clusters (GCs) in NGC 5128, a nearby giant elliptical galaxy less than 4 Mpc away, in order to measure radial velocities and derive ages, metallicities, and alpha-element abundance ratios. Using the Gemini South 8 meter telescope with the instrument Gemini Multi-Object Spectrograph, we obtained spectroscopy in the range of approx3400-5700 A for 72 GCs with a signal-to-noise ratio greater than 30 A{sup -1}; and we have also discovered 35 new GCs within NGC 5128 from our radial velocity measurements. We measured and compared the Lick indices from Hdelta{sub A} through Fe5406 withmore » the single stellar population models of Thomas et al. in order to derive age, metallicity, and [alpha/Fe] values. We also measure Lick indices for 41 Milky Way GCs from Puzia et al. and Schiavon et al. with the same methodology for direct comparison. Our results show that 68% of the NGC 5128 GCs have old ages (>8 Gyr), 14% have intermediate ages (5-8 Gyr), and 18% have young ages (<5 Gyr). However, when we look at the metallicity of the GCs as a function of age, we find 92% of metal-poor GCs and 56% of metal-rich GCs in NGC 5128 have ages >8 Gyr, indicating that the majority of both metallicity subpopulations of GCs formed earlier, with a significant population of young and metal-rich GCs forming later. Our metallicity distribution function generated directly from spectroscopic Lick indices is clearly bimodal, as is the color distribution of the same set of GCs. Thus, the metallicity bimodality is real and not an artifact of the color to metallicity conversion. However, the metallicity distribution function obtained from comparison with the single stellar population models is consistent with a unimodal, bimodal, or multimodal shape. The [alpha/Fe] values are supersolar with a mean value of 0.14 +- 0.04, indicating a fast formation timescale. However, the GCs in NGC 5128 are not as [alpha/Fe] enhanced as the Milky Way GCs also examined in this study. Our measured indices also indicate that the GCs in NGC 5128 may have a slight overabundance in nitrogen and a wider range of calcium strength compared to the Milky Way GCs. Our results support a rapid, early formation of the GC system in NGC 5128, with subsequent major accretion and/or GC and star-forming events in more recent times.« less

Simulated BRDF based on measured surface topography of metal

NASA Astrophysics Data System (ADS)

Yang, Haiyue; Haist, Tobias; Gronle, Marc; Osten, Wolfgang

2017-06-01

The radiative reflective properties of a calibration standard rough surface were simulated by ray tracing and the Finite-difference time-domain (FDTD) method. The simulation results have been used to compute the reflectance distribution functions (BRDF) of metal surfaces and have been compared with experimental measurements. The experimental and simulated results are in good agreement.

Removal of a hazardous heavy metal from aqueous solution using functionalized graphene and boron nitride nanosheets: Insights from simulations.

PubMed

Azamat, Jafar; Sattary, Batoul Shirforush; Khataee, Alireza; Joo, Sang Woo

2015-09-01

A computer simulation was performed to investigate the removal of Zn(2+) as a heavy metal from aqueous solution using the functionalized pore of a graphene nanosheet and boron nitride nanosheet (BNNS). The simulated systems were comprised of a graphene nanosheet or BNNS with a functionalized pore containing an aqueous ionic solution of zinc chloride. In order to remove heavy metal from an aqueous solution using the functionalized pore of a graphene nanosheet and BNNS, an external voltage was applied along the z-axis of the simulated box. For the selective removal of zinc ions, the pores of graphene and BNNS were functionalized by passivating each atom at the pore edge with appropriate atoms. For complete analysis systems, we calculated the potential of the mean force of ions, the radial distribution function of ion-water, the residence time of ions, the hydrogen bond, and the autocorrelation function of the hydrogen bond. Copyright © 2015 Elsevier Inc. All rights reserved.

LAMOST telescope reveals that Neptunian cousins of hot Jupiters are mostly single offspring of stars that are rich in heavy elements.

PubMed

Dong, Subo; Xie, Ji-Wei; Zhou, Ji-Lin; Zheng, Zheng; Luo, Ali

2018-01-09

We discover a population of short-period, Neptune-size planets sharing key similarities with hot Jupiters: both populations are preferentially hosted by metal-rich stars, and both are preferentially found in Kepler systems with single-transiting planets. We use accurate Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST) Data Release 4 (DR4) stellar parameters for main-sequence stars to study the distributions of short-period [Formula: see text] Kepler planets as a function of host star metallicity. The radius distribution of planets around metal-rich stars is more "puffed up" compared with that around metal-poor hosts. In two period-radius regimes, planets preferentially reside around metal-rich stars, while there are hardly any planets around metal-poor stars. One is the well-known hot Jupiters, and the other one is a population of Neptune-size planets ([Formula: see text]), dubbed "Hoptunes." Also like hot Jupiters, Hoptunes occur more frequently in systems with single-transiting planets although the fraction of Hoptunes occurring in multiples is larger than that of hot Jupiters. About [Formula: see text] of solar-type stars host Hoptunes, and the frequencies of Hoptunes and hot Jupiters increase with consistent trends as a function of [Fe/H]. In the planet radius distribution, hot Jupiters and Hoptunes are separated by a "valley" at approximately Saturn size (in the range of [Formula: see text]), and this "hot-Saturn valley" represents approximately an order-of-magnitude decrease in planet frequency compared with hot Jupiters and Hoptunes. The empirical "kinship" between Hoptunes and hot Jupiters suggests likely common processes (migration and/or formation) responsible for their existence.

LAMOST telescope reveals that Neptunian cousins of hot Jupiters are mostly single offspring of stars that are rich in heavy elements

NASA Astrophysics Data System (ADS)

Dong, Subo; Xie, Ji-Wei; Zhou, Ji-Lin; Zheng, Zheng; Luo, Ali

2018-01-01

We discover a population of short-period, Neptune-size planets sharing key similarities with hot Jupiters: both populations are preferentially hosted by metal-rich stars, and both are preferentially found in Kepler systems with single-transiting planets. We use accurate Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST) Data Release 4 (DR4) stellar parameters for main-sequence stars to study the distributions of short-period 1d

Three-dimensional atlas of iron, copper, and zinc in the mouse cerebrum and brainstem.

PubMed

Hare, Dominic J; Lee, Jason K; Beavis, Alison D; van Gramberg, Amanda; George, Jessica; Adlard, Paul A; Finkelstein, David I; Doble, Philip A

2012-05-01

Atlases depicting molecular and functional features of the brain are becoming an integral part of modern neuroscience. In this study we used laser ablation-inductively coupled plasma-mass spectrometry (LA-ICPMS) to quantitatively measure iron (Fe), copper (Cu), and zinc (Zn) levels in a serially sectioned C57BL/6 mouse brain (cerebrum and brainstem). Forty-six sections were analyzed in a single experiment of approximately 158 h in duration. We constructed a 46-plate reference atlas by aligning quantified images of metal distribution with corresponding coronal sections from the Allen Mouse Brain Reference Atlas. The 46 plates were also used to construct three-dimensional models of Fe, Cu, and Zn distribution. This atlas represents the first reconstruction of quantitative trace metal distribution through the brain by LA-ICPMS and will facilitate the study of trace metals in the brain and help to elucidate their role in neurobiology.

Novel Bioimaging Techniques of Metals by Laser Ablation Inductively Coupled Plasma Mass Spectrometry for Diagnosis Of Fibrotic and Cirrhotic Liver Disorders

PubMed Central

Gassler, Nikolaus; Bosserhoff, Anja K.; Becker, J. Sabine

2013-01-01

Background and Aims Hereditary disorders associated with metal overload or unwanted toxic accumulation of heavy metals can lead to morbidity and mortality. Patients with hereditary hemochromatosis or Wilson disease for example may develop severe hepatic pathology including fibrosis, cirrhosis or hepatocellular carcinoma. While relevant disease genes are identified and genetic testing is applicable, liver biopsy in combination with metal detecting techniques such as energy-dispersive X-ray spectroscopy (EDX) is still applied for accurate diagnosis of metals. Vice versa, several metals are needed in trace amounts for carrying out vital functions and their deficiency due to rapid growth, pregnancy, excessive blood loss, and insufficient nutritional or digestive uptake results in organic and systemic shortcomings. Established in situ techniques, such as EDX-ray spectroscopy, are not sensitive enough to analyze trace metal distribution and the quantification of metal images is difficult. Methods In this study, we developed a quantitative biometal imaging technique of human liver tissue by laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) in order to compare the distribution of selected metals in cryo-sections of healthy and fibrotic/cirrhotic livers. Results Most of the metals are homogeneous distributed within the normal tissue, while they are redirected within fibrotic livers resulting in significant metal deposits. Moreover, total iron and copper concentrations in diseased liver were found about 3-5 times higher than in normal liver samples. Conclusions Biometal imaging via LA-ICP-MS is a sensitive innovative diagnostic tool that will impact clinical practice in identification and evaluation of hepatic metal disorders and to detect subtle metal variations during ongoing hepatic fibrogenesis. PMID:23505552

First-Principles Momentum Dependent Local Ansatz Approach to the Momentum Distribution Function in Iron-Group Transition Metals

NASA Astrophysics Data System (ADS)

Kakehashi, Yoshiro; Chandra, Sumal

2017-03-01

The momentum distribution function (MDF) bands of iron-group transition metals from Sc to Cu have been investigated on the basis of the first-principles momentum dependent local ansatz wavefunction method. It is found that the MDF for d electrons show a strong momentum dependence and a large deviation from the Fermi-Dirac distribution function along high-symmetry lines of the first Brillouin zone, while the sp electrons behave as independent electrons. In particular, the deviation in bcc Fe (fcc Ni) is shown to be enhanced by the narrow eg (t2g) bands with flat dispersion in the vicinity of the Fermi level. Mass enhancement factors (MEF) calculated from the jump on the Fermi surface are also shown to be momentum dependent. Large mass enhancements of Mn and Fe are found to be caused by spin fluctuations due to d electrons, while that for Ni is mainly caused by charge fluctuations. Calculated MEF are consistent with electronic specific heat data as well as recent angle resolved photoemission spectroscopy data.

Cosmic distribution of highly ionized metals and their physical conditions in the EAGLE simulations

NASA Astrophysics Data System (ADS)

Rahmati, Alireza; Schaye, Joop; Crain, Robert A.; Oppenheimer, Benjamin D.; Schaller, Matthieu; Theuns, Tom

2016-06-01

We study the distribution and evolution of highly ionized intergalactic metals in the Evolution and Assembly of Galaxies and their Environment (EAGLE) cosmological, hydrodynamical simulations. EAGLE has been shown to reproduce a wide range of galaxy properties while its subgrid feedback was calibrated without considering gas properties. We compare the predictions for the column density distribution functions (CDDFs) and cosmic densities of Si IV, C IV, N V, O VI and Ne VIII absorbers with observations at redshift z = 0 to ˜6 and find reasonable agreement, although there are some differences. We show that the typical physical densities of the absorbing gas increase with column density and redshift, but decrease with the ionization energy of the absorbing ion. The typical metallicity increases with both column density and time. The fraction of collisionally ionized metal absorbers increases with time and ionization energy. While our results show little sensitivity to the presence or absence of AGN feedback, increasing/decreasing the efficiency of stellar feedback by a factor of 2 substantially decreases/increases the CDDFs and the cosmic densities of the metal ions. We show that the impact of the efficiency of stellar feedback on the CDDFs and cosmic densities is largely due to its effect on the metal production rate. However, the temperatures of the metal absorbers, particularly those of strong O VI, are directly sensitive to the strength of the feedback.

Modelling chemical abundance distributions for dwarf galaxies in the Local Group: the impact of turbulent metal diffusion

NASA Astrophysics Data System (ADS)

Escala, Ivanna; Wetzel, Andrew; Kirby, Evan N.; Hopkins, Philip F.; Ma, Xiangcheng; Wheeler, Coral; Kereš, Dušan; Faucher-Giguère, Claude-André; Quataert, Eliot

2018-02-01

We investigate stellar metallicity distribution functions (MDFs), including Fe and α-element abundances, in dwarf galaxies from the Feedback in Realistic Environment (FIRE) project. We examine both isolated dwarf galaxies and those that are satellites of a Milky Way-mass galaxy. In particular, we study the effects of including a sub-grid turbulent model for the diffusion of metals in gas. Simulations that include diffusion have narrower MDFs and abundance ratio distributions, because diffusion drives individual gas and star particles towards the average metallicity. This effect provides significantly better agreement with observed abundance distributions in dwarf galaxies in the Local Group, including small intrinsic scatter in [α/Fe] versus [Fe/H] of ≲0.1 dex. This small intrinsic scatter arises in our simulations because the interstellar medium in dwarf galaxies is well mixed at nearly all cosmic times, such that stars that form at a given time have similar abundances to ≲0.1 dex. Thus, most of the scatter in abundances at z = 0 arises from redshift evolution and not from instantaneous scatter in the ISM. We find similar MDF widths and intrinsic scatter for satellite and isolated dwarf galaxies, which suggests that environmental effects play a minor role compared with internal chemical evolution in our simulations. Overall, with the inclusion of metal diffusion, our simulations reproduce abundance distribution widths of observed low-mass galaxies, enabling detailed studies of chemical evolution in galaxy formation.

Reliability-Based Design Optimization of a Composite Airframe Component

NASA Technical Reports Server (NTRS)

Pai, Shantaram S.; Coroneos, Rula; Patnaik, Surya N.

2011-01-01

A stochastic optimization methodology (SDO) has been developed to design airframe structural components made of metallic and composite materials. The design method accommodates uncertainties in load, strength, and material properties that are defined by distribution functions with mean values and standard deviations. A response parameter, like a failure mode, has become a function of reliability. The primitive variables like thermomechanical loads, material properties, and failure theories, as well as variables like depth of beam or thickness of a membrane, are considered random parameters with specified distribution functions defined by mean values and standard deviations.

Exploring Novel Spintronic Responses from Advanced Functional Organic Materials

DTIC Science & Technology

2015-11-12

March 20-22, 2014 (8) Interface enhanced photovoltaic and Seebeck effects in organic solar cells and thermoelectric devices DISTRIBUTION A...on thermoelectric effects by using polymer/metal interface-controllable thermal and electric conductions. The project explored a new strategy by using...following major breakthroughs on molecular metamaterials by using spin radicals and on thermoelectric effects by using polymer/metal interface

The rotation of ripple pattern and the shape of the collision cascade in ion sputtered thin metal films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mishra, P.; Ghose, D.

The sputter ripple formation in polycrystalline metal thin films of Al, Co, Cu, and Ag has been studied by 16.7 keV Ar{sup +} and O{sub 2}{sup +} ion bombardment as a function of angle of ion incidence. The experimental results show the existence of a critical angle of ion incidence ({theta}{sub c}) beyond which the ripples of wave vectors perpendicular to the projected ion beam direction appear. Monte Carlo simulation (SRIM) is carried out to calculate the depth, longitudinal and lateral straggling widths of energy deposition as these values are crucial in determining the critical angle {theta}{sub c}. It ismore » found that the radial energy distribution of the damage cascade has the maximum slightly away from the ion path in contradiction to the Gaussian distribution and the distribution is better characterized by an exponential function. The lower values of lateral straggling widths as those extracted from the measured critical angles using the Bradley and Harper theory indicate a highly anisotropic deposited-energy distribution.« less

Non-equilibrium thermionic electron emission for metals at high temperatures

NASA Astrophysics Data System (ADS)

Domenech-Garret, J. L.; Tierno, S. P.; Conde, L.

2015-08-01

Stationary thermionic electron emission currents from heated metals are compared against an analytical expression derived using a non-equilibrium quantum kappa energy distribution for the electrons. The latter depends on the temperature decreasing parameter κ ( T ) , which decreases with increasing temperature and can be estimated from raw experimental data and characterizes the departure of the electron energy spectrum from equilibrium Fermi-Dirac statistics. The calculations accurately predict the measured thermionic emission currents for both high and moderate temperature ranges. The Richardson-Dushman law governs electron emission for large values of kappa or equivalently, moderate metal temperatures. The high energy tail in the electron energy distribution function that develops at higher temperatures or lower kappa values increases the emission currents well over the predictions of the classical expression. This also permits the quantitative estimation of the departure of the metal electrons from the equilibrium Fermi-Dirac statistics.

Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals

PubMed Central

Bernardi, Marco; Mustafa, Jamal; Neaton, Jeffrey B.; Louie, Steven G.

2015-01-01

Hot carriers (HC) generated by surface plasmon polaritons (SPPs) in noble metals are promising for application in optoelectronics, plasmonics and renewable energy. However, existing models fail to explain key quantitative details of SPP-to-HC conversion experiments. Here we develop a quantum mechanical framework and apply first-principles calculations to study the energy distribution and scattering processes of HCs generated by SPPs in Au and Ag. We find that the relative positions of the s and d bands of noble metals regulate the energy distribution and mean free path of the HCs, and that the electron–phonon interaction controls HC energy loss and transport. Our results prescribe optimal conditions for HC generation and extraction, and invalidate previously employed free-electron-like models. Our work combines density functional theory, GW and electron–phonon calculations to provide microscopic insight into HC generation and ultrafast dynamics in noble metals. PMID:26033445

Optical roughness BRDF model for reverse Monte Carlo simulation of real material thermal radiation transfer.

PubMed

Su, Peiran; Eri, Qitai; Wang, Qiang

2014-04-10

Optical roughness was introduced into the bidirectional reflectance distribution function (BRDF) model to simulate the reflectance characteristics of thermal radiation. The optical roughness BRDF model stemmed from the influence of surface roughness and wavelength on the ray reflectance calculation. This model was adopted to simulate real metal emissivity. The reverse Monte Carlo method was used to display the distribution of reflectance rays. The numerical simulations showed that the optical roughness BRDF model can calculate the wavelength effect on emissivity and simulate the real metal emissivity variance with incidence angles.

Low-temperature slip along intergrain boundaries

NASA Astrophysics Data System (ADS)

Bakai, A. S.; Lazarev, P. N.

2017-10-01

Equations are derived for slip in a disordered atomic layer which describe diffusive creep as well as high-speed slip at low temperatures. An exact solution for the slip velocity is found in the form of a functional of the distribution function of the threshold shear stresses in the slip layer. The relationship between the microscopic parameters of the theory and the macroscopic properties of metallic glass is established in terms of the Mott intergrain slip model. The calculated rate of deformation of bulk metallic glass is compared with published experimental data.

Metallicity fluctuation statistics in the interstellar medium and young stars - I. Variance and correlation

NASA Astrophysics Data System (ADS)

Krumholz, Mark R.; Ting, Yuan-Sen

2018-04-01

The distributions of a galaxy's gas and stars in chemical space encode a tremendous amount of information about that galaxy's physical properties and assembly history. However, present methods for extracting information from chemical distributions are based either on coarse averages measured over galactic scales (e.g. metallicity gradients) or on searching for clusters in chemical space that can be identified with individual star clusters or gas clouds on ˜1 pc scales. These approaches discard most of the information, because in galaxies gas and young stars are observed to be distributed fractally, with correlations on all scales, and the same is likely to be true of metals. In this paper we introduce a first theoretical model, based on stochastically forced diffusion, capable of predicting the multiscale statistics of metal fields. We derive the variance, correlation function, and power spectrum of the metal distribution from first principles, and determine how these quantities depend on elements' astrophysical origin sites and on the large-scale properties of galaxies. Among other results, we explain for the first time why the typical abundance scatter observed in the interstellar media of nearby galaxies is ≈0.1 dex, and we predict that this scatter will be correlated on spatial scales of ˜0.5-1 kpc, and over time-scales of ˜100-300 Myr. We discuss the implications of our results for future chemical tagging studies.

Global properties of M31's stellar halo from the splash survey. II. Metallicity profile

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gilbert, Karoline M.; Kalirai, Jason S.; Guhathakurta, Puragra

2014-12-01

We present the metallicity distribution of red giant branch (RGB) stars in M31's stellar halo, derived from photometric metallicity estimates for over 1500 spectroscopically confirmed RGB halo stars. The stellar sample comes from 38 halo fields observed with the Keck/DEIMOS spectrograph, ranging from 9 to 175 kpc in projected distance from M31's center, and includes 52 confirmed M31 halo stars beyond 100 kpc. While a wide range of metallicities is seen throughout the halo, the metal-rich peak of the metallicity distribution function becomes significantly less prominent with increasing radius. The metallicity profile of M31's stellar halo shows a continuous gradientmore » from 9 to ∼100 kpc, with a magnitude of ∼ – 0.01 dex kpc{sup –1}. The stellar velocity distributions in each field are used to identify stars that are likely associated with tidal debris features. The removal of tidal debris features does not significantly alter the metallicity gradient in M31's halo: a gradient is maintained in fields spanning 10-90 kpc. We analyze the halo metallicity profile, as well as the relative metallicities of stars associated with tidal debris features and the underlying halo population, in the context of current simulations of stellar halo formation. We argue that the large-scale gradient in M31's halo implies M31 accreted at least one relatively massive progenitor in the past, while the field to field variation seen in the metallicity profile indicates that multiple smaller progenitors are likely to have contributed substantially to M31's outer halo.« less

Heavy Metal Pollution in Settled Dust Associated with Different Urban Functional Areas in a Heavily Air-Polluted City in North China.

PubMed

Wan, Dejun; Han, Zhangxiong; Yang, Jinsong; Yang, Guanglin; Liu, Xingqi

2016-11-10

Understanding variations of heavy metals in atmospheric particles between different functional areas is significant for pollution control and urban planning in cities. To reveal pollution and spatial distribution of heavy metals in atmospheric particles from different urban functional areas in Shijiazhuang in North China, 43 settled dust samples were collected over the main urban area and heavy metal concentrations were determined in their <63 μm fractions using an ICP-OES. The results suggest that Cr, Mn, Fe, Co, Ni, and V in the dust are not or slightly enriched and their concentrations vary slightly between different sites, implying their natural origins; whereas Cu, Zn, Cd, and Pb are often notably enriched and their concentrations vary significantly between different functional areas, indicating their anthropogenic sources. Integrated pollution indexes (IPIs) of the ten heavy metals are 2.7-13.6 (5.7 ± 2.2), suggesting high or very high pollution levels of most dust. Relatively lower IPIs occur mainly in the administration-education area, the commercial area, and other unclassified sites; while peaks occur mainly in the North Railway Station, the northeastern industrial area, and some sites near heavily trafficked areas, implying the significant influence of intensive industrial (including coal combustion) and traffic activities on atmospheric heavy metal accumulation. These results suggest a clear need of mitigating atmospheric heavy metal pollution via controlling emissions of toxic metals (especially Cd and Pb) from industrial and traffic sources in the city.

Heavy Metal Pollution in Settled Dust Associated with Different Urban Functional Areas in a Heavily Air-Polluted City in North China

PubMed Central

Wan, Dejun; Han, Zhangxiong; Yang, Jinsong; Yang, Guanglin; Liu, Xingqi

2016-01-01

Understanding variations of heavy metals in atmospheric particles between different functional areas is significant for pollution control and urban planning in cities. To reveal pollution and spatial distribution of heavy metals in atmospheric particles from different urban functional areas in Shijiazhuang in North China, 43 settled dust samples were collected over the main urban area and heavy metal concentrations were determined in their <63 μm fractions using an ICP-OES. The results suggest that Cr, Mn, Fe, Co, Ni, and V in the dust are not or slightly enriched and their concentrations vary slightly between different sites, implying their natural origins; whereas Cu, Zn, Cd, and Pb are often notably enriched and their concentrations vary significantly between different functional areas, indicating their anthropogenic sources. Integrated pollution indexes (IPIs) of the ten heavy metals are 2.7–13.6 (5.7 ± 2.2), suggesting high or very high pollution levels of most dust. Relatively lower IPIs occur mainly in the administration-education area, the commercial area, and other unclassified sites; while peaks occur mainly in the North Railway Station, the northeastern industrial area, and some sites near heavily trafficked areas, implying the significant influence of intensive industrial (including coal combustion) and traffic activities on atmospheric heavy metal accumulation. These results suggest a clear need of mitigating atmospheric heavy metal pollution via controlling emissions of toxic metals (especially Cd and Pb) from industrial and traffic sources in the city. PMID:27834903

Nucleation and Growth of Ordered Arrays of Silver Nanoparticles on Peptide Nanofibers: Hybrid Nanostructures with Antimicrobial Properties.

PubMed

Pazos, Elena; Sleep, Eduard; Rubert Pérez, Charles M; Lee, Sungsoo S; Tantakitti, Faifan; Stupp, Samuel I

2016-05-04

Silver nanoparticles have been of great interest as plasmonic substrates for sensing and imaging, catalysts, or antimicrobial systems. Their physical properties are strongly dependent on parameters that remain challenging to control such as size, chemical composition, and spatial distribution. We report here on supramolecular assemblies of a novel peptide amphiphile containing aldehyde functionality in order to reduce silver ions and subsequently nucleate silver metal nanoparticles in water. This system spontaneously generates monodisperse silver particles at fairly regular distances along the length of the filamentous organic assemblies. The metal-organic hybrid structures exhibited antimicrobial activity and significantly less toxicity toward eukaryotic cells. Metallized organic nanofibers of the type described here offer the possibility to create hydrogels, which integrate the useful functions of silver nanoparticles with controllable metallic content.

Targeted Single-Site MOF Node Modification: Trivalent Metal Loading via Atomic Layer Deposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, In Soo; Borycz, Joshua; Platero-Prats, Ana E.

Postsynthetic functionalization of metal organic frameworks (MOFs) enables the controlled, high-density incorporation of new atoms on a crystallographically precise framework. Leveraging the broad palette of known atomic layer deposition (ALD) chemistries, ALD in MOFs (AIM) is one such targeted approach to construct diverse, highly functional, few-atom clusters. We here demonstrate the saturating reaction of trimethylindium (InMe3) with the node hydroxyls and ligated water of NU-1000, which takes place without significant loss of MOF crystallinity or internal surface area. We computationally identify the elementary steps by which trimethylated trivalent metal compounds (ALD precursors) react with this Zr-based MOF node to generatemore » a uniform and well characterized new surface layer on the node itself, and we predict a final structure that is fully consistent with experimental X-ray pair distribution function (PDF) analysis. We further demonstrate tunable metal loading through controlled number density of the reactive handles (-OH and -OH2) achieved through node dehydration at elevated temperatures.« less

Ejected Particle Size Distributions from Shocked Metal Surfaces

DOE PAGES

Schauer, M. M.; Buttler, W. T.; Frayer, D. K.; ...

2017-04-12

Here, we present size distributions for particles ejected from features machined onto the surface of shocked Sn targets. The functional form of the size distributions is assumed to be log-normal, and the characteristic parameters of the distribution are extracted from the measured angular distribution of light scattered from a laser beam incident on the ejected particles. We also found strong evidence for a bimodal distribution of particle sizes with smaller particles evolved from features machined into the target surface and larger particles being produced at the edges of these features.

Ejected Particle Size Distributions from Shocked Metal Surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schauer, M. M.; Buttler, W. T.; Frayer, D. K.

Here, we present size distributions for particles ejected from features machined onto the surface of shocked Sn targets. The functional form of the size distributions is assumed to be log-normal, and the characteristic parameters of the distribution are extracted from the measured angular distribution of light scattered from a laser beam incident on the ejected particles. We also found strong evidence for a bimodal distribution of particle sizes with smaller particles evolved from features machined into the target surface and larger particles being produced at the edges of these features.

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

NASA Astrophysics Data System (ADS)

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

2017-05-01

Context. The radial metallicity distribution in the Galactic thin disc represents a crucial constraint for modelling disc formation and evolution. Open star clusters allow us to derive both the radial metallicity distribution and its evolution over time. Aims: In this paper we perform the first investigation of the present-day radial metallicity distribution based on [Fe/H] determinations in late type members of pre-main-sequence clusters. Because of their youth, these clusters are therefore essential for tracing the current interstellar medium metallicity. Methods: We used the products of the Gaia-ESO Survey analysis of 12 young regions (age < 100 Myr), covering Galactocentric distances from 6.67 to 8.70 kpc. For the first time, we derived the metal content of star forming regions farther than 500 pc from the Sun. Median metallicities were determined through samples of reliable cluster members. For ten clusters the membership analysis is discussed in the present paper, while for other two clusters (I.e. Chamaeleon I and Gamma Velorum) we adopted the members identified in our previous works. Results: All the pre-main-sequence clusters considered in this paper have close-to-solar or slightly sub-solar metallicities. The radial metallicity distribution traced by these clusters is almost flat, with the innermost star forming regions having [Fe/H] values that are 0.10-0.15 dex lower than the majority of the older clusters located at similar Galactocentric radii. Conclusions: This homogeneous study of the present-day radial metallicity distribution in the Galactic thin disc favours models that predict a flattening of the radial gradient over time. On the other hand, the decrease of the average [Fe/H] at young ages is not easily explained by the models. Our results reveal a complex interplay of several processes (e.g. star formation activity, initial mass function, supernova yields, gas flows) that controlled the recent evolution of the Milky Way. Based on observations made with the ESO/VLT, at Paranal Observatory, under program 188.B-3002 (The Gaia-ESO Public Spectroscopic Survey).Full Table 1 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/601/A70

Light metal decorated graphdiyne nanosheets for reversible hydrogen storage.

PubMed

Panigrahi, P; Dhinakaran, A K; Naqvi, S R; Gollu, S R; Ahuja, R; Hussain, T

2018-05-29

The sensitive nature of molecular hydrogen (H 2 ) interaction with the surfaces of pristine and functionalized nanostructures, especially two-dimensional materials, has been a subject of debate for a while now. An accurate approximation of the H 2 adsorption mechanism has vital significance for fields such as H 2 storage applications. Owing to the importance of this issue, we have performed a comprehensive density functional theory (DFT) study by means of several different approximations to investigate the structural, electronic, charge transfer and energy storage properties of pristine and functionalized graphdiyne (GDY) nanosheets. The dopants considered here include the light metals Li, Na, K, Ca, Sc and Ti, which have a uniform distribution over GDY even at high doping concentration due to their strong binding and charge transfer mechanism. Upon 11% of metal functionalization, GDY changes into a metallic state from being a small band-gap semiconductor. Such situations turn the dopants to a partial positive state, which is favorable for adsorption of H 2 molecules. The adsorption mechanism of H 2 on GDY has been studied and compared by different methods like generalized gradient approximation, van der Waals density functional and DFT-D3 functionals. It has been established that each functionalized system anchors multiple H 2 molecules with adsorption energies that fall into a suitable range regardless of the functional used for approximations. A significantly high H 2 storage capacity would guarantee that light metal-doped GDY nanosheets could serve as efficient and reversible H 2 storage materials.

Limits of applicability of a two-temperature model under nonuniform heating of metal by an ultrashort laser pulse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Polyakov, D S; Yakovlev, E B

The heating of metals (silver and aluminium) by ultrashort laser pulses is analysed proceeding from a spatially nonuniform kinetic equation for the electron distribution function. The electron subsystem thermalisation is estimated in a wide range of absorbed pulse energy density. The limits of applicability are determined for the two-temperature model. (interaction of laser radiation with matter)

Distribution of electromagnetic field and group velocities in two-dimensional periodic systems with dissipative metallic components

NASA Astrophysics Data System (ADS)

Kuzmiak, Vladimir; Maradudin, Alexei A.

1998-09-01

We study the distribution of the electromagnetic field of the eigenmodes and corresponding group velocities associated with the photonic band structures of two-dimensional periodic systems consisting of an array of infinitely long parallel metallic rods whose intersections with a perpendicular plane form a simple square lattice. We consider both nondissipative and lossy metallic components characterized by a complex frequency-dependent dielectric function. Our analysis is based on the calculation of the complex photonic band structure obtained by using a modified plane-wave method that transforms the problem of solving Maxwell's equations into the problem of diagonalizing an equivalent non-Hermitian matrix. In order to investigate the nature and the symmetry properties of the eigenvectors, which significantly affect the optical properties of the photonic lattices, we evaluate the associated field distribution at the high symmetry points and along high symmetry directions in the two-dimensional first Brillouin zone of the periodic system. By considering both lossless and lossy metallic rods we study the effect of damping on the spatial distribution of the eigenvectors. Then we use the Hellmann-Feynman theorem and the eigenvectors and eigenfrequencies obtained from a photonic band-structure calculation based on a standard plane-wave approach applied to the nondissipative system to calculate the components of the group velocities associated with individual bands as functions of the wave vector in the first Brillouin zone. From the group velocity of each eigenmode the flow of energy is examined. The results obtained indicate a strong directional dependence of the group velocity, and confirm the experimental observation that a photonic crystal is a potentially efficient tool in controlling photon propagation.

EFFECTS OF PH AND PHOSPHATE ON METAL DISTRIBUTION WITH EMPHASIS ON AS SPECIATION AND MOBILIZATION IN SOILS FROM A LEAD SMELTING SITE

EPA Science Inventory

Arsenic in soils from the Asarco Lead Smelter in East Helena, Montana was characterized by X-ray absorption spectroscopy (XAS). As oxidation state and geochemical speciation were analyzed as a function of depth (two sampling sites) and surface distribution. These results were c...

SEGUE 1—A COMPRESSED STAR FORMATION HISTORY BEFORE REIONIZATION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Webster, David; Bland-Hawthorn, Joss; Frebel, Anna, E-mail: d.webster@physics.usyd.edu.au

Segue 1 is the current best candidate for a “first galaxy,” a system that experienced only a single, short burst of star formation and has since remained unchanged. Here we present possible star formation scenarios that can explain Segue 1’s unique metallicity distribution. While the majority of stars in all other ultra-faint dwarfs are within 0.5 dex of the mean [Fe/H] for the galaxy, five of the seven stars in Segue 1 have a spread of Δ[Fe/H]  > 0.8 dex. We show that this distribution of metallicities cannot be explained by a gradual buildup of stars, but instead requires clustered star formation. Chemicalmore » tagging allows the separate unresolved delta functions in abundance space to be associated with discrete events in space and time. This provides an opportunity to put the enrichment events into a time sequence and unravel the history of the system. We investigate two possible scenarios for the star formation history of Segue 1 using Fyris Alpha simulations of gas in a 10{sup 7} M{sub ⊙} dark matter halo. The lack of stars with intermediate metallicities −3 < [Fe/H] < −2 can be explained either by a pause in star formation caused by supernova feedback or by the spread of metallicities resulting from one or two supernovae in a low-mass dark matter halo. Either possibility can reproduce the metallicity distribution function (MDF) as well as the other observed elemental abundances. The unusual MDF and the low luminosity of Segue 1 can be explained by it being a first galaxy that originated with M{sub vir} ∼ 10{sup 7}M{sub ⊙} at z ∼ 10.« less

Concentrations and distributions of metals associated with dissolved organic matter from the Suwannee River (GA, USA)

USGS Publications Warehouse

Kuhn, M. Keshia; Neubauer, Elisabeth; Hofmann, Thilo; von der Kammer, Frank; Aiken, George R.; Maurice, Patricia A.

2015-01-01

Concentrations and distributions of metals in Suwannee River (SR) raw filtered surface water (RFSW) and dissolved organic matter (DOM) processed by reverse osmosis (RO), XAD-8 resin (for humic and fulvic acids [FA]), and XAD-4 resin (for “transphilic” acids) were analyzed by asymmetrical flow field-flow fractionation (AsFlFFF). SR samples were compared with DOM samples from Nelson's Creek (NLC), a wetland-draining stream in northern Michigan; previous International Humic Substances Society (IHSS) FA and RO samples from the SR; and an XAD-8 sample from Lake Fryxell (LF), Antarctica. Despite application of cation exchange during sample processing, all XAD and RO samples contained substantial metal concentrations. AsFlFFF fractograms allowed metal distributions to be characterized as a function of DOM component molecular weight (MW). In SR RFSW, Fe, Al, and Cu were primarily associated with intermediate to higher than average MW DOM components. SR RO, XAD-8, and XAD-4 samples from May 2012 showed similar MW trends for Fe and Al but Cu tended to associate more with lower MW DOM. LF DOM had abundant Cu and Zn, perhaps due to amine groups that should be present due to its primarily algal origins. None of the fractograms showed obvious evidence for mineral nanoparticles, although some very small mineral nanoparticles might have been present at trace concentrations. This research suggests that AsFlFFF is important for understanding how metals are distributed in different DOM samples (including IHSS samples), which may be key to metal reactivity and bioavailability.

Simulating and discussion on surface plasmon typical optical properties of patterned periodic metallic nanostructures

NASA Astrophysics Data System (ADS)

Liu, Runhan; Yuan, Ying; Long, Huabao; Peng, Sha; Wei, Dong; Zhang, Xinyu; Wang, Haiwei; Xie, Changsheng

2018-02-01

The intense surface plasmons (SPs) can be generated by patterned metal nano-structure arrays, through coupling incident light onto the functioned metal surface, so as to construct highly constrained surface electromagnetic modes. Therefore, a localized micro-nano-field array with a highly compressed surface electron distribution, can also be shaped and even nano-focused over the surface, which will lead to a lot of special physical effects such as anti-reflection effect, and thus indicate many new potential applications in the field of nano-photonics and -optoelectronics. In this paper, several typical patterned sub-wavelength metal nano-structure arrays were designed according to the process, in which common silicon wafer was employed as the substrate material and aluminum as the metal film with different structural size and arrangement circle. In addition, by adjusting the dielectric constant of metal material appropriately, the power control effect on metallic nanostructure was simulated. The key properties such as the excitation intensity of the surface plasmons were studied by simulating the reflectivity characteristic curves and the electric field distribution of the nanostructure excited by incident infrared beams. It is found that the angle of corners, the arrangement cycle and the metal material properties of the patterned nano-structures can be utilized as key factors to control the excitation intensity of surface plasmons.

Amino-functionalized silica nanoparticles with center-radially hierarchical mesopores as ideal catalyst carriers

NASA Astrophysics Data System (ADS)

Du, Xin; He, Junhui

2012-01-01

Our previously fabricated amino-functionalized silica nanoparticles (NPs) with center-radially hierarchical mesopores (NH2-HMSNs) were purified by a filtration membrane and used as catalyst carriers in the current article. Noble metal NPs (Au, Pd, Pt and Au & Pt) with small sizes (3-8 nm) were successfully immobilized into the NH2-HMSNs via the deposition-precipitation method. These noble metal NPs with readily adjusted small sizes have high density and well-dispersed distribution on the surface of large mesopores of NH2-HMSNs. Among them, Au-NH2-HMSNs were investigated as the composite catalyst in the catalytic reduction of 2-nitroaniline (2-NA) as a model reaction and exhibited excellent catalytic activity and stability. The presence of center-radially large mesopores in the NH2-HMSNs may favor the loading of noble metal NPs with high density and well-dispersed distribution on the surface of large mesopores of NH2-HMSNs. Metal-NH2-HMSNs may be more promising composite catalysts due to their superstructure of center-radially hierarchical mesopores that maybe significantly enhance and harmonize the diffusion of guest molecules of different sizes through the porous matrices.Our previously fabricated amino-functionalized silica nanoparticles (NPs) with center-radially hierarchical mesopores (NH2-HMSNs) were purified by a filtration membrane and used as catalyst carriers in the current article. Noble metal NPs (Au, Pd, Pt and Au & Pt) with small sizes (3-8 nm) were successfully immobilized into the NH2-HMSNs via the deposition-precipitation method. These noble metal NPs with readily adjusted small sizes have high density and well-dispersed distribution on the surface of large mesopores of NH2-HMSNs. Among them, Au-NH2-HMSNs were investigated as the composite catalyst in the catalytic reduction of 2-nitroaniline (2-NA) as a model reaction and exhibited excellent catalytic activity and stability. The presence of center-radially large mesopores in the NH2-HMSNs may favor the loading of noble metal NPs with high density and well-dispersed distribution on the surface of large mesopores of NH2-HMSNs. Metal-NH2-HMSNs may be more promising composite catalysts due to their superstructure of center-radially hierarchical mesopores that maybe significantly enhance and harmonize the diffusion of guest molecules of different sizes through the porous matrices. Electronic supplementary information (ESI) available: Detailed synthesis procedures of NH2-MCM-41 and NH2-SBA-15; additional SEM images of as-prepared NH2-HMSNs; TEM images of calcined NH2-HMSNs and recovered Au-NH2-HMSNs after catalytic reaction; FTIR spectra of the extracted and purified NH2-HMSNs and Au-NH2-HMSNs and UV-vis absorption spectra of noble metal-NH2-HMSNs suspension, Au-NH2-MCM-41 and Au-NH2-SBA-15, and the reaction mixture in the catalytic reaction. See DOI: 10.1039/c1nr11504a

Solvation and Ion Pair Association in Aqueous Metal Sulfates: Interpretation of NDIS raw data by isobaric-isothermal molecular dynamics simulation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chialvo, Ariel A; Simonson, J Michael

2010-01-01

We analyzed the solvation behavior of aqueous lithium, nickel, and ytterbium sulfates at ambient conditions in terms of the relevant radial distributions functions and the corresponding first-order difference of the sulfur-site neutronweighted distribution functions generated by isothermal-isobaric molecular dynamics simulation. We determined of the partial contributions to the neutronweighted distribution functions, to identify the main peaks, and the effect of the contact ion-pair configuration on the resulting H ! S coordination number. Finally, we assessed the extent of the ion-pair formation according to Poirier- DeLap formalism and highlighted the significant increase of the ion-pair association exhibited by these salts withmore » cation charge.« less

Microbial Influences on Trace Metal Cycling in a Meromictic Lake, Fayetteville Green Lake, NY

NASA Astrophysics Data System (ADS)

Zerkle, A. L.; House, C.; Kump, L.

2002-12-01

Microorganisms can exist in aquatic environments at very high cell densities of up to 1011 cells/L, and can accumulate significant quantities of trace metals. Bacteria actively take up bioactive trace metals, including Fe, Zn, Mn, Co, Ni, Cu, and Mo, which function as catalytic centers in metalloproteins and metal-activated enzymes involved in virtually all cellular functions. In addition, bacteria may catalyze the release of trace metals from inorganic substrates by processes such as the reduction of iron and manganese oxides, suggesting that trace metal distributions within a natural environment dominated by microbial processes may be controlled primarily by microbial ecology. Fayetteville Green Lake (FGL), NY, is a permanently stratified meromictic lake that has a well-oxygenated surface water mass (mixolimnion) overlying a relatively stagnant, anoxic deep water mass (monimolimnion). A chemocline separates the water masses at around 20m depth, where oxygen concentrations decrease and sulfate and methane concentrations increase. In addition, previous studies have indicated that trace metals such as V, Cr, Co, Mn, and Fe reach elevated concentrations at the chemocline. Using fluorescent in situ hybridization (FISH) of FGL samples from depths of up to 40m with bacterial and archaeal probes, we have shown that fluctuating redox conditions within the FGL water column correlate with significant variations in the composition and distribution of microbial populations with depth. The mixolimnion is dominated by Eubacteria, with increasing concentrations of Archaea in the lower anoxic zone. Increases in microbial cell densities coincide with increases in trace metals at the chemocline, suggesting microbial activity may be responsible for trace metal release at this boundary. 16S rRNA PCR cloning techniques are currently being used to identify dominant microbial populations at various levels within the FGL water column. Future studies will focus on the potential for these dominant microorganisms to influence trace metal cycling and bioavailability in the FGL water column.

Metals in proteins: correlation between the metal-ion type, coordination number and the amino-acid residues involved in the coordination.

PubMed

Dokmanić, Ivan; Sikić, Mile; Tomić, Sanja

2008-03-01

Metal ions are constituents of many metalloproteins, in which they have either catalytic (metalloenzymes) or structural functions. In this work, the characteristics of various metals were studied (Cu, Zn, Mg, Mn, Fe, Co, Ni, Cd and Ca in proteins with known crystal structure) as well as the specificity of their environments. The analysis was performed on two data sets: the set of protein structures in the Protein Data Bank (PDB) determined with resolution <1.5 A and the set of nonredundant protein structures from the PDB. The former was used to determine the distances between each metal ion and its electron donors and the latter was used to assess the preferred coordination numbers and common combinations of amino-acid residues in the neighbourhood of each metal. Although the metal ions considered predominantly had a valence of two, their preferred coordination number and the type of amino-acid residues that participate in the coordination differed significantly from one metal ion to the next. This study concentrates on finding the specificities of a metal-ion environment, namely the distribution of coordination numbers and the amino-acid residue types that frequently take part in coordination. Furthermore, the correlation between the coordination number and the occurrence of certain amino-acid residues (quartets and triplets) in a metal-ion coordination sphere was analysed. The results obtained are of particular value for the identification and modelling of metal-binding sites in protein structures derived by homology modelling. Knowledge of the geometry and characteristics of the metal-binding sites in metalloproteins of known function can help to more closely determine the biological activity of proteins of unknown function and to aid in design of proteins with specific affinity for certain metals.

Lanthanide and transition metal complexes of bioactive coumarins: molecular modeling and spectroscopic studies.

PubMed

Georgieva, I; Mihaylov, Tz; Trendafilova, N

2014-06-01

The present paper summarizes theoretical and spectroscopic investigations on a series of active coumarins and their lanthanide and transition metal complexes with application in medicine and pharmacy. Molecular modeling as well as IR, Raman, NMR and electronic spectral simulations at different levels of theory were performed to obtain important molecular descriptors: total energy, formation energy, binding energy, stability, conformations, structural parameters, electron density distribution, molecular electrostatic potential, Fukui functions, atomic charges, and reactive indexes. The computations are performed both in gas phase and in solution with consideration of the solvent effect on the molecular structural and energetic parameters. The investigations have shown that the advanced computational methods are reliable for prediction of the metal-coumarin binding mode, electron density distribution, thermodynamic properties as well as the strength and nature of the metal-coumarin interaction (not experimentally accessible) and correctly interpret the experimental spectroscopic data. Known results from biological tests for cytotoxic, antimicrobial, anti-fungal, spasmolytic and anti-HIV activities on the studied metal complexes are reported and discussed. Copyright © 2014 Elsevier Inc. All rights reserved.

The modulation of Schottky barriers of metal-MoS2 contacts via BN-MoS2 heterostructures.

PubMed

Su, Jie; Feng, Liping; Zhang, Yan; Liu, Zhengtang

2016-06-22

Using first-principles calculations within density functional theory, we systematically studied the effect of BN-MoS2 heterostructure on the Schottky barriers of metal-MoS2 contacts. Two types of FETs are designed according to the area of the BN-MoS2 heterostructure. Results show that the vertical and lateral Schottky barriers in all the studied contacts, irrespective of the work function of the metal, are significantly reduced or even vanish when the BN-MoS2 heterostructure substitutes the monolayer MoS2. Only the n-type lateral Schottky barrier of Au/BN-MoS2 contact relates to the area of the BN-MoS2 heterostructure. Notably, the Pt-MoS2 contact with n-type character is transformed into a p-type contact upon substituting the monolayer MoS2 by a BN-MoS2 heterostructure. These changes of the contact natures are ascribed to the variation of Fermi level pinning, work function and charge distribution. Analysis demonstrates that the Fermi level pinning effects are significantly weakened for metal/BN-MoS2 contacts because no gap states dominated by MoS2 are formed, in contrast to those of metal-MoS2 contacts. Although additional BN layers reduce the interlayer interaction and the work function of the metal, the Schottky barriers of metal/BN-MoS2 contacts still do not obey the Schottky-Mott rule. Moreover, different from metal-MoS2 contacts, the charges transfer from electrodes to the monolayer MoS2, resulting in an increment of the work function of these metals in metal/BN-MoS2 contacts. These findings may prove to be instrumental in the future design of new MoS2-based FETs with ohmic contact or p-type character.

VizieR Online Data Catalog: Model SDSS colors for halo stars (Allende Prieto+, 2014)

NASA Astrophysics Data System (ADS)

Allende Prieto, C.; Fernandez-Alvar, E.; Schlesinger, K. J.; Lee, Y. S.; Morrison, H. L.; Schneider, D. P.; Beers, T. C.; Bizyaev, D.; Ebelke, G.; Malanushenko, E.; Oravetz, D.; Pan, K.; Simmons, A.; Simmerer, J.; Sobeck, J.; Robin, A. C.

2014-06-01

We analyze a sample of tens of thousands of spectra of halo turnoff stars, obtained with the optical spectrographs of the Sloan Digital Sky Survey (SDSS), to characterize the stellar halo population "in situ" out to a distance of a few tens of kpc from the Sun. In this paper we describe the derivation of atmospheric parameters. We also derive the overall stellar metallicity distribution based on F-type stars observed as flux calibrators for the Baryonic Oscillations Spectroscopic Survey (BOSS). Our analysis is based on an automated method that determines the set of parameters of a model atmosphere that best reproduces each observed spectrum. We use an optimization algorithm and evaluate model fluxes by means of interpolation in a pre-computed grid. In our analysis, we account for the spectrograph's varying resolution as a function of fiber and wavelength. Our results for early SDSS (pre-BOSS upgrade) data compare well with those from the SEGUE Stellar Parameter Pipeline (SSPP), except for stars at logg (cgs units) lower than 2.5. An analysis of stars in the globular cluster M13 reveals a dependence of the inferred metallicity on surface gravity for stars with logg<2.5, confirming the systematics identified in the comparison with the SSPP. We find that our metallicity estimates are significantly more precise than the SSPP results. We also find excellent agreement with several independent analyses. We show that the SDSS color criteria for selecting F-type halo turnoff stars as flux calibrators efficiently excludes stars with high metallicities, but does not significantly distort the shape of the metallicity distribution at low metallicity. We obtain a halo metallicity distribution that is narrower and more asymmetric than in previous studies. The lowest gravity stars in our sample, at tens of kpc from the Sun, indicate a shift of the metallicity distribution to lower abundances, consistent with that expected from a dual halo system in the Milky Way. (1 data file).

Combined distribution functions: A powerful tool to identify cation coordination geometries in liquid systems

NASA Astrophysics Data System (ADS)

Sessa, Francesco; D'Angelo, Paola; Migliorati, Valentina

2018-01-01

In this work we have developed an analytical procedure to identify metal ion coordination geometries in liquid media based on the calculation of Combined Distribution Functions (CDFs) starting from Molecular Dynamics (MD) simulations. CDFs provide a fingerprint which can be easily and unambiguously assigned to a reference polyhedron. The CDF analysis has been tested on five systems and has proven to reliably identify the correct geometries of several ion coordination complexes. This tool is simple and general and can be efficiently applied to different MD simulations of liquid systems.

Targeted Single-Site MOF Node Modification: Trivalent Metal Loading via Atomic Layer Deposition

DOE PAGES

Kim, In Soo; Borycz, Joshua; Platero-Prats, Ana E.; ...

2015-07-02

Postsynthetic functionalization of metal organic frameworks (MOFs) enables the controlled, high-density incorporation of new atoms on a crystallographically precise framework. Leveraging the broad palette of known atomic layer deposition (ALD) chemistries, ALD in MOFs (AIM) is one such targeted approach to construct diverse, highly functional, few-atom clusters. In this paper, we demonstrate the saturating reaction of trimethylindium (InMe 3) with the node hydroxyls and ligated water of NU-1000, which takes place without significant loss of MOF crystallinity or internal surface area. We computationally identify the elementary steps by which trimethylated trivalent metal compounds (ALD precursors) react with this Zr-based MOFmore » node to generate a uniform and well characterized new surface layer on the node itself, and we predict a final structure that is fully consistent with experimental X-ray pair distribution function (PDF) analysis. Finally, we further demonstrate tunable metal loading through controlled number density of the reactive handles (–OH and –OH 2) achieved through node dehydration at elevated temperatures.« less

Targeted Single-Site MOF Node Modification: Trivalent Metal Loading via Atomic Layer Deposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, In Soo; Borycz, Joshua; Platero-Prats, Ana E.

Postsynthetic functionalization of metal organic frameworks (MOFs) enables the controlled, high-density incorporation of new atoms on a crystallographically precise framework. Leveraging the broad palette of known atomic layer deposition (ALD) chemistries, ALD in MOFs (AIM) is one such targeted approach to construct diverse, highly functional, few-atom clusters. In this paper, we demonstrate the saturating reaction of trimethylindium (InMe 3) with the node hydroxyls and ligated water of NU-1000, which takes place without significant loss of MOF crystallinity or internal surface area. We computationally identify the elementary steps by which trimethylated trivalent metal compounds (ALD precursors) react with this Zr-based MOFmore » node to generate a uniform and well characterized new surface layer on the node itself, and we predict a final structure that is fully consistent with experimental X-ray pair distribution function (PDF) analysis. Finally, we further demonstrate tunable metal loading through controlled number density of the reactive handles (–OH and –OH 2) achieved through node dehydration at elevated temperatures.« less

Ensemble averaged structure–function relationship for nanocrystals: effective superparamagnetic Fe clusters with catalytically active Pt skin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Petkov, Valeri; Prasai, Binay; Shastri, Sarvjit

2017-09-12

Practical applications require the production and usage of metallic nanocrystals (NCs) in large ensembles. Besides, due to their cluster-bulk solid duality, metallic NCs exhibit a large degree of structural diversity. This poses the question as to what atomic-scale basis is to be used when the structure–function relationship for metallic NCs is to be quantified precisely. In this paper, we address the question by studying bi-functional Fe core-Pt skin type NCs optimized for practical applications. In particular, the cluster-like Fe core and skin-like Pt surface of the NCs exhibit superparamagnetic properties and a superb catalytic activity for the oxygen reduction reaction,more » respectively. We determine the atomic-scale structure of the NCs by non-traditional resonant high-energy X-ray diffraction coupled to atomic pair distribution function analysis. Using the experimental structure data we explain the observed magnetic and catalytic behavior of the NCs in a quantitative manner. Lastly, we demonstrate that NC ensemble-averaged 3D positions of atoms obtained by advanced X-ray scattering techniques are a very proper basis for not only establishing but also quantifying the structure–function relationship for the increasingly complex metallic NCs explored for practical applications.« less

Measuring phonon mean free path distributions by probing quasiballistic phonon transport in grating nanostructures

DOE PAGES

Zeng, Lingping; Collins, Kimberlee C.; Hu, Yongjie; ...

2015-11-27

Heat conduction in semiconductors and dielectrics depends upon their phonon mean free paths that describe the average travelling distance between two consecutive phonon scattering events. Nondiffusive phonon transport is being exploited to extract phonon mean free path distributions. Here, we describe an implementation of a nanoscale thermal conductivity spectroscopy technique that allows for the study of mean free path distributions in optically absorbing materials with relatively simple fabrication and a straightforward analysis scheme. We pattern 1D metallic grating of various line widths but fixed gap size on sample surfaces. The metal lines serve as both heaters and thermometers in time-domainmore » thermoreflectance measurements and simultaneously act as wiregrid polarizers that protect the underlying substrate from direct optical excitation and heating. We demonstrate the viability of this technique by studying length-dependent thermal conductivities of silicon at various temperatures. The thermal conductivities measured with different metal line widths are analyzed using suppression functions calculated from the Boltzmann transport equation to extract the phonon mean free path distributions with no calibration required. Furthermore, this table-top ultrafast thermal transport spectroscopy technique enables the study of mean free path spectra in a wide range of technologically important materials.« less

Electronic doping of transition metal oxide perovskites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cammarata, Antonio, E-mail: cammaant@fel.cvut.cz; Rondinelli, James M.

2016-05-23

CaFeO{sub 3} is a prototypical negative charge transfer oxide that undergoes electronic metal-insulator transition concomitant with a dilation and contraction of nearly rigid octahedra. Altering the charge neutrality of the bulk system destroys the electronic transition, while the structure is significantly modified at high charge content. Using density functional theory simulations, we predict an alternative avenue to modulate the structure and the electronic transition in CaFeO{sub 3}. Charge distribution can be modulated using strain-rotation coupling and thin film engineering strategies, proposing themselves as a promising avenue for fine tuning electronic features in transition metal-oxide perovskites.

Mapping photometric metallicities in the Galactic halo using broadband photometry

NASA Astrophysics Data System (ADS)

Hebenstreit, Samuel David; Nidever, David L.; Munn, Jeffrey A.; Majewski, Steven R.

2018-06-01

An important objective of modern Astrophysics is to trace the history of galaxies and the dynamics of their formations. The outer regions of the Milky Way, including the Galactic halo, could potentially elucidate the evolutionary history of our galaxy. In this study, we make use of extensive DDO51 photometry combined with SDSS broadband photometry to select giant stars reaching to 90 kpc. Photometric metallicities, calibrated by overlapping spectroscopic data (SDSS, APOGEE and LAMOST), and distances are calculated for all giant stars. Using these metallicities and distances, we construct metallicity distribution functions (MDFs) from these stars. We study the MDFs for information pertaining to the accretion history of the Milky Way.

A quantitative analysis of aerosols inside an armored vehicle perforated by a kinetic energy penetrator containing tungsten, nickel, and cobalt.

PubMed

Gold, Kenneth; Cheng, Yung Sung; Holmes, Thomas D

2007-04-01

These tests were conducted to develop a database that could be used to assess risks to soldiers from exposure to aerosolized metallic particulates when the crew compartment of an Abrams tank is perforated by a kinetic energy penetrator. Quantitative data are reported for aerosols produced by kinetic energy penetrators containing tungsten, nickel, and cobalt. The following are addressed: (1) concentrations and rates of particle settling inside the vehicle, (2) particle size distribution, (3) inhalable and respirable particulates, (4) distribution of aerosol particles by mass, and (5) particle shapes. The scenario described in this report simulates a rare occurrence. The lessons learned, however, highlight a requirement for developing protocols for analyses of metals in body fluids and urine as soon as practical, and also for implementing targeted postdeployment medical surveillance programs that monitor both body burden for respired metals and pulmonary function.

On Both Spatial And Velocity Distribution Of Sputtered Particles In Magnetron Discharge

NASA Astrophysics Data System (ADS)

Vitelaru, C.; Pohoata, V.; Tiron, V.; Costin, C.; Popa, G.

2012-12-01

The kinetics of the sputtered atoms from the metallic target as well as the time-space distribution of the argon metastable atoms have been investigated for DC and high power pulse magnetron discharge by means of Tunable Diode - Laser Absorption Spectroscopy (TD-LAS) and Tunable Diode - Laser Induced Fluorescence (TD-LIF). The discharge was operated in argon (5-30 mTorr) with two different targets, tungsten and aluminum, for pulses of 1 to 20 μs, at frequencies of 0.2 to 1 kHz. Peak current intensity of ~100 A has been attained at cathode peak voltage of ~1 kV. The mean velocity distribution functions and particle fluxes of the sputtered metal atoms, in parallel and perpendicular direction to the target, have been obtained and compared for DC and pulse mode.

Ensemble averaged structure–function relationship for nanocrystals: effective superparamagnetic Fe clusters with catalytically active Pt skin [Ensemble averaged structure-function relationship for composite nanocrystals: magnetic bcc Fe clusters with catalytically active fcc Pt skin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Petkov, Valeri; Prasai, Binay; Shastri, Sarvjit

Practical applications require the production and usage of metallic nanocrystals (NCs) in large ensembles. Besides, due to their cluster-bulk solid duality, metallic NCs exhibit a large degree of structural diversity. This poses the question as to what atomic-scale basis is to be used when the structure–function relationship for metallic NCs is to be quantified precisely. In this paper, we address the question by studying bi-functional Fe core-Pt skin type NCs optimized for practical applications. In particular, the cluster-like Fe core and skin-like Pt surface of the NCs exhibit superparamagnetic properties and a superb catalytic activity for the oxygen reduction reaction,more » respectively. We determine the atomic-scale structure of the NCs by non-traditional resonant high-energy X-ray diffraction coupled to atomic pair distribution function analysis. Using the experimental structure data we explain the observed magnetic and catalytic behavior of the NCs in a quantitative manner. Lastly, we demonstrate that NC ensemble-averaged 3D positions of atoms obtained by advanced X-ray scattering techniques are a very proper basis for not only establishing but also quantifying the structure–function relationship for the increasingly complex metallic NCs explored for practical applications.« less

Deep SDSS optical spectroscopy of distant halo stars. I. Atmospheric parameters and stellar metallicity distribution

NASA Astrophysics Data System (ADS)

Allende Prieto, C.; Fernández-Alvar, E.; Schlesinger, K. J.; Lee, Y. S.; Morrison, H. L.; Schneider, D. P.; Beers, T. C.; Bizyaev, D.; Ebelke, G.; Malanushenko, E.; Malanushenko, V.; Oravetz, D.; Pan, K.; Simmons, A.; Simmerer, J.; Sobeck, J.; Robin, A. C.

2014-08-01

Aims: We analyze a sample of tens of thousands of spectra of halo turnoff stars, obtained with the optical spectrographs of the Sloan Digital Sky Survey (SDSS), to characterize the stellar halo population "in situ" out to a distance of a few tens of kpc from the Sun. In this paper we describe the derivation of atmospheric parameters. We also derive the overall stellar metallicity distribution based on F-type stars observed as flux calibrators for the Baryonic Oscillations Spectroscopic Survey (BOSS). Methods: Our analysis is based on an automated method that determines the set of parameters of a model atmosphere that reproduces each observed spectrum best. We used an optimization algorithm and evaluate model fluxes by means of interpolation in a precomputed grid. In our analysis, we account for the spectrograph's varying resolution as a function of fiber and wavelength. Our results for early SDSS (pre-BOSS upgrade) data compare well with those from the SEGUE Stellar Parameter Pipeline (SSPP), except for stars with log g (cgs units) lower than 2.5. Results: An analysis of stars in the globular cluster M 13 reveals a dependence of the inferred metallicity on surface gravity for stars with log g < 2.5, confirming the systematics identified in the comparison with the SSPP. We find that our metallicity estimates are significantly more precise than the SSPP results. We also find excellent agreement with several independent analyses. We show that the SDSS color criteria for selecting F-type halo turnoff stars as flux calibrators efficiently excludes stars with high metallicities, but does not significantly distort the shape of the metallicity distribution at low metallicity. We obtain a halo metallicity distribution that is narrower and more asymmetric than in previous studies. The lowest gravity stars in our sample, at tens of kpc from the Sun, indicate a shift of the metallicity distribution to lower abundances, consistent with what is expected from a dual halo system in the Milky Way. Full Table 1 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/568/A7

Voltage stress effects on microcircuit accelerated life test failure rates

NASA Technical Reports Server (NTRS)

Johnson, G. M.

1976-01-01

The applicability of Arrhenius and Eyring reaction rate models for describing microcircuit aging characteristics as a function of junction temperature and applied voltage was evaluated. The results of a matrix of accelerated life tests with a single metal oxide semiconductor microcircuit operated at six different combinations of temperature and voltage were used to evaluate the models. A total of 450 devices from two different lots were tested at ambient temperatures between 200 C and 250 C and applied voltages between 5 Vdc and 15 Vdc. A statistical analysis of the surface related failure data resulted in bimodal failure distributions comprising two lognormal distributions; a 'freak' distribution observed early in time, and a 'main' distribution observed later in time. The Arrhenius model was shown to provide a good description of device aging as a function of temperature at a fixed voltage. The Eyring model also appeared to provide a reasonable description of main distribution device aging as a function of temperature and voltage. Circuit diagrams are shown.

Nucleation and Growth of Ordered Arrays of Silver Nanoparticles on Peptide Nanofibers: Hybrid Nanostructures with Antimicrobial Properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pazos, Elena; Sleep, Eduard; Rubert Perez, Charles M.

Here, silver nanoparticles have been of great interest as plasmonic substrates for sensing and imaging, catalysts, or antimicrobial systems. Their physical properties are strongly dependent on parameters that remain challenging to control such as size, chemical composition, and spatial distribution. We report here on supramolecular assemblies of a novel peptide amphiphile containing aldehyde functionality in order to reduce silver ions and subsequently nucleate silver metal nanoparticles in water. This system spontaneously generates monodisperse silver particles at fairly regular distances along the length of the filamentous organic assemblies. The metal–organic hybrid structures exhibited antimicrobial activity and significantly less toxicity toward eukaryoticmore » cells. Metallized organic nanofibers of the type described here offer the possibility to create hydrogels, which integrate the useful functions of silver nanoparticles with controllable metallic content.« less

Nucleation and Growth of Ordered Arrays of Silver Nanoparticles on Peptide Nanofibers: Hybrid Nanostructures with Antimicrobial Properties

DOE PAGES

Pazos, Elena; Sleep, Eduard; Rubert Perez, Charles M.; ...

2016-04-22

Here, silver nanoparticles have been of great interest as plasmonic substrates for sensing and imaging, catalysts, or antimicrobial systems. Their physical properties are strongly dependent on parameters that remain challenging to control such as size, chemical composition, and spatial distribution. We report here on supramolecular assemblies of a novel peptide amphiphile containing aldehyde functionality in order to reduce silver ions and subsequently nucleate silver metal nanoparticles in water. This system spontaneously generates monodisperse silver particles at fairly regular distances along the length of the filamentous organic assemblies. The metal–organic hybrid structures exhibited antimicrobial activity and significantly less toxicity toward eukaryoticmore » cells. Metallized organic nanofibers of the type described here offer the possibility to create hydrogels, which integrate the useful functions of silver nanoparticles with controllable metallic content.« less

Chemodynamical modelling of the galactic bulge and bar

NASA Astrophysics Data System (ADS)

Portail, Matthieu; Wegg, Christopher; Gerhard, Ortwin; Ness, Melissa

2017-09-01

We present the first self-consistent chemodynamical model fitted to reproduce data for the galactic bulge, bar and inner disc. We extend the Made-to-Measure method to an augmented phase-space including the metallicity of stars, and show its first application to the bar region of the Milky Way. Using data from the ARGOS and APOGEE (DR12) surveys, we adapt the recent dynamical model from Portail et al. to reproduce the observed spatial and kinematic variations as a function of metallicity, thus allowing the detailed study of the 3D density distributions, kinematics and orbital structure of stars in different metallicity bins. We find that metal-rich stars with [Fe/H] ≥ -0.5 are strongly barred and have dynamical properties that are consistent with a common disc origin. Metal-poor stars with [Fe/H] ≤ -0.5 show strong kinematic variations with metallicity, indicating varying contributions from the underlying stellar populations. Outside the central kpc, metal-poor stars are found to have the density and kinematics of a thick disc while in the inner kpc, evidence for an extra concentration of metal-poor stars is found. Finally, the combined orbit distributions of all metallicities in the model naturally reproduce the observed vertex deviations in the bulge. This paper demonstrates the power of Made-to-Measure chemodynamical models, that when extended to other chemical dimensions will be very powerful tools to maximize the information obtained from large spectroscopic surveys such as APOGEE, GALAH and MOONS.

Imaging optical fields below metal films and metal-dielectric waveguides by a scanning microscope

NASA Astrophysics Data System (ADS)

Zhu, Liangfu; Wang, Yong; Zhang, Douguo; Wang, Ruxue; Qiu, Dong; Wang, Pei; Ming, Hai; Badugu, Ramachandram; Rosenfeld, Mary; Lakowicz, Joseph R.

2017-09-01

Laser scanning confocal fluorescence microscopy (LSCM) is now an important method for tissue and cell imaging when the samples are located on the surfaces of glass slides. In the past decade, there has been extensive development of nano-optical structures that display unique effects on incident and transmitted light, which will be used with novel configurations for medical and consumer products. For these applications, it is necessary to characterize the light distribution within short distances from the structures for efficient detection and elimination of bulky optical components. These devices will minimize or possibly eliminate the need for free-space light propagation outside of the device itself. We describe the use of the scanning function of a LSCM to obtain 3D images of the light intensities below the surface of nano-optical structures. More specifically, we image the spatial distributions inside the substrate of fluorescence emission coupled to waveguide modes after it leaks through thin metal films or dielectric-coated metal films. The observed spatial distribution were in general agreement with far-field calculations, but the scanning images also revealed light intensities at angles not observed with classical back focal plane imaging. Knowledge of the subsurface optical intensities will be crucial in the combination of nano-optical structures with rapidly evolving imaging detectors.

Heavy metals in Lake Balaton: water column, suspended matter, sediment and biota.

PubMed

Nguyen, H L; Leermakers, M; Osán, J; Török, S; Baeyens, W

2005-03-20

During the period 1999-2002, five sampling cruises have been carried out on Lake Balaton to assess trace metal distribution in the lake and to identify major sources. Eighteen elements, including Cr, Co, Ni, Cu, Zn, Cd, Pb (trace metals) and Al, Ba, Ca, Fe, K, Mg, Mn, Na, P, S, Sr (major metals), were determined in one or more of the lake's compartments. Lower trace metal concentrations in rainwater were observed in June and February 2000, while much higher levels were present in September 2001 (during a storm event) and in snow (February 2000). In the Northern and Western parts of the lake, especially at the inflow of river Zala and the locations of the yacht harbours, metal concentrations were higher in almost all compartments. Because the lake is very shallow, storm conditions also change significantly the metal distributions in the dissolved and particulate phases. The Kis-Balaton protection system located on Zala river functions very efficiently for retaining suspended particulate matter (SPM; 72% retention) and associated metals. Metal concentrations in surface sediments of the lake showed a high variability. After normalisation for the fine sediment fraction, only a few stations including Zala mouth appeared to be enriched in trace metals. In zooplankton, Zn seemed to be much more elevated compared to the other trace metals. Based on the molar ratios of the trace metals in the various compartments and input flows of the lake, several trends could be deduced. For example, molar ratios of the trace metals in the dissolved and solid (suspended particulate matter and sediments) phases in the lake are fairly similar to those in Zala River.

Ecological and health risks assessment and spatial distribution of residual heavy metals in the soil of an e-waste circular economy park in Tianjin, China.

PubMed

Han, Wei; Gao, Guanghai; Geng, Jinyao; Li, Yao; Wang, Yingying

2018-04-01

Ziya Circular Economy Park is the biggest e-waste recycle park in North China before 2011, its function was then transformed in response to regulations and rules. In this paper, investigation was conducted to research the residual concentrations of 14 analytes (12 heavy metals and 2 non-metals) in the surface soil of Ziya Circular Economy Park and surrounding area. Both ecological and health assessments were evaluated using GI (geo-accumulation index) and NPI (Nemerow pollution index), and associated health risk was assessed by using USEPA model. According to the ecological risk assessment, Cu, Sb, Cd, Zn and Co were seriously enriched in the soil of the studied area. The health risk assessment proposed by USEPA indicated no significant health risks to the population. Soil properties, such as pH and organic matter, were found to correlate with the enrichment of heavy metals. Arsenic concentrations in the soil were found positively correlated to dead bacteria concentrations. Spatial distribution of heavy metals revealed that Ziya Circular Economy Park was the dominant pollution source in the studied area. Findings in this study suggest that enough attention should be payed to the heavy metal pollution in Ziya Circular Economy Park. Copyright © 2018 Elsevier Ltd. All rights reserved.

Bridging Zirconia Nodes within a Metal-Organic Framework via Catalytic Ni-Hydroxo Clusters to Form Heterobimetallic Nanowires.

PubMed

Platero-Prats, Ana E; League, Aaron B; Bernales, Varinia; Ye, Jingyun; Gallington, Leighanne C; Vjunov, Aleksei; Schweitzer, Neil M; Li, Zhanyong; Zheng, Jian; Mehdi, B Layla; Stevens, Andrew J; Dohnalkova, Alice; Balasubramanian, Mahalingam; Farha, Omar K; Hupp, Joseph T; Browning, Nigel D; Fulton, John L; Camaioni, Donald M; Lercher, Johannes A; Truhlar, Donald G; Gagliardi, Laura; Cramer, Christopher J; Chapman, Karena W

2017-08-02

Metal-organic frameworks (MOFs), with their well-ordered pore networks and tunable surface chemistries, offer a versatile platform for preparing well-defined nanostructures wherein functionality such as catalysis can be incorporated. Notably, atomic layer deposition (ALD) in MOFs has recently emerged as a versatile approach to functionalize MOF surfaces with a wide variety of catalytic metal-oxo species. Understanding the structure of newly deposited species and how they are tethered within the MOF is critical to understanding how these components couple to govern the active material properties. By combining local and long-range structure probes, including X-ray absorption spectroscopy, pair distribution function analysis, and difference envelope density analysis, with electron microscopy imaging and computational modeling, we resolve the precise atomic structure of metal-oxo species deposited in the MOF NU-1000 through ALD. These analyses demonstrate that deposition of NiO x H y clusters occurs selectively within the smallest pores of NU-1000, between the zirconia nodes, serving to connect these nodes along the c-direction to yield heterobimetallic metal-oxo nanowires. This bridging motif perturbs the NU-1000 framework structure, drawing the zirconia nodes closer together, and also underlies the sintering resistance of these clusters during the hydrogenation of light olefins.

Chemical and kinematical properties of galactic bulge stars surrounding the stellar system Terzan 5

DOE Office of Scientific and Technical Information (OSTI.GOV)

Massari, D.; Mucciarelli, A.; Ferraro, F. R.

2014-08-20

As part of a study aimed at determining the kinematical and chemical properties of Terzan 5, we present the first characterization of the bulge stars surrounding this puzzling stellar system. We observed 615 targets located well beyond the tidal radius of Terzan 5 and found that their radial velocity distribution is well described by a Gaussian function peaked at (v {sub rad}) = +21.0 ± 4.6 km s{sup –1} with dispersion σ {sub v} = 113.0 ± 2.7 km s{sup –1}. This is one of the few high-precision spectroscopic surveys of radial velocities for a large sample of bulge starsmore » in such a low and positive latitude environment (b = +1.°7). We found no evidence of the peak at (v {sub rad}) ∼ +200 km s{sup –1} found in Nidever et al. Strong contamination of many observed spectra by TiO bands prevented us from deriving the iron abundance for the entire spectroscopic sample, introducing a selection bias. The metallicity distribution was finally derived for a subsample of 112 stars in a magnitude range where the effect of the selection bias is negligible. The distribution is quite broad and roughly peaked at solar metallicity ([Fe/H] ≅ +0.05 dex) with a similar number of stars in the super-solar and in the sub-solar ranges. The population number ratios in different metallicity ranges agree well with those observed in other low-latitude bulge fields, suggesting (1) the possible presence of a plateau for |b| < 4° in the ratio between stars in the super-solar (0 < [Fe/H] <0.5 dex) and sub-solar (–0.5 < [Fe/H] <0 dex) metallicity ranges; (2) a severe drop in the metal-poor component ([Fe/H] <–0.5) as a function of Galactic latitude.« less

Assembly, Structure, and Functionality of Metal-Organic Networks and Organic Semiconductor Layers at Surfaces

NASA Astrophysics Data System (ADS)

Tempas, Christopher D.

Self-assembled nanostructures at surfaces show promise for the development of next generation technologies including organic electronic devices and heterogeneous catalysis. In many cases, the functionality of these nanostructures is not well understood. This thesis presents strategies for the structural design of new on-surface metal-organic networks and probes their chemical reactivity. It is shown that creating uniform metal sites greatly increases selectivity when compared to ligand-free metal islands. When O2 reacts with single-site vanadium centers, in redox-active self-assembled coordination networks on the Au(100) surface, it forms one product. When O2 reacts with vanadium metal islands on the same surface, multiple products are formed. Other metal-organic networks described in this thesis include a mixed valence network containing Pt0 and PtII and a network where two Fe centers reside in close proximity. This structure is stable to temperatures >450 °C. These new on-surface assemblies may offer the ability to perform reactions of increasing complexity as future heterogeneous catalysts. The functionalization of organic semiconductor molecules is also shown. When a few molecular layers are grown on the surface, it is seen that the addition of functional groups changes both the film's structure and charge transport properties. This is due to changes in both first layer packing structure and the pi-electron distribution in the functionalized molecules compared to the original molecule. The systems described in this thesis were studied using high-resolution scanning tunneling microscopy, non-contact atomic force microscopy, and X-ray photoelectron spectroscopy. Overall, this work provides strategies for the creation of new, well-defined on-surface nanostructures and adds additional chemical insight into their properties.

Particle-size dependence on metal(loid) distributions in mine wastes: Implications for water contamination and human exposure

USGS Publications Warehouse

Kim, C.S.; Wilson, K.M.; Rytuba, J.J.

2011-01-01

The mining and processing of metal-bearing ores has resulted in contamination issues where waste materials from abandoned mines remain in piles of untreated and unconsolidated material, posing the potential for waterborne and airborne transport of toxic elements. This study presents a systematic method of particle size separation, mass distribution, and bulk chemical analysis for mine tailings and adjacent background soil samples from the Rand historic mining district, California, in order to assess particle size distribution and related trends in metal(loid) concentration as a function of particle size. Mine tailings produced through stamp milling and leaching processes were found to have both a narrower and finer particle size distribution than background samples, with significant fractions of particles available in a size range (???250 ??m) that could be incidentally ingested. In both tailings and background samples, the majority of trace metal(loid)s display an inverse relationship between concentration and particle size, resulting in higher proportions of As, Cr, Cu, Pb and Zn in finer-sized fractions which are more susceptible to both water- and wind-borne transport as well as ingestion and/or inhalation. Established regulatory screening levels for such elements may, therefore, significantly underestimate potential exposure risk if relying solely on bulk sample concentrations to guide remediation decisions. Correlations in elemental concentration trends (such as between As and Fe) indicate relationships between elements that may be relevant to their chemical speciation. ?? 2011 Elsevier Ltd.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feng, Huan; Zhang, Weiguo; Qian, Yu

This study investigates the distributions of Br, Ca, Cl, Cr, Cu, K, Fe, Mn, Pb, Ti, V and Zn inPhragmites australisroot system and the function of Fe nanoparticles in scavenging metals in the root epidermis using synchrotron X-ray microfluorescence, synchrotron transmission X-ray microscope measurement and synchrotron X-ray absorption near-edge structure techniques. The purpose of this study is to understand the mobility of metals in wetland plant root systems after their uptake from rhizosphere soils.Phragmites australissamples were collected in the Yangtze River intertidal zone in July 2013. The results indicate that Fe nanoparticles are present in the root epidermis and thatmore » other metals correlate significantly with Fe, suggesting that Fe nanoparticles play an important role in metal scavenging in the epidermis.« less

Bounds on quantum confinement effects in metal nanoparticles

NASA Astrophysics Data System (ADS)

Blackman, G. Neal; Genov, Dentcho A.

2018-03-01

Quantum size effects on the permittivity of metal nanoparticles are investigated using the quantum box model. Explicit upper and lower bounds are derived for the permittivity and relaxation rates due to quantum confinement effects. These bounds are verified numerically, and the size dependence and frequency dependence of the empirical Drude size parameter is extracted from the model. Results suggest that the common practice of empirically modifying the dielectric function can lead to inaccurate predictions for highly uniform distributions of finite-sized particles.

Mechanical rejuvenation in bulk metallic glass induced by thermo-mechanical creep

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tong, Yang; Dmowski, W.; Bei, Hongbin

Using high energy X-ray diffraction we studied the temperature, stress, and time effect on structural changes in a Zr-based bulk metallic glass induced by thermo-mechanical creep. Pair distribution functions obtained from two-dimensional diffraction patterns show that thermo-mechanical creep induces structural disordering, but only when the stress beyond a threshold is applied. A similar threshold behavior was observed for anelastic strain. We conclude that anelastic creep strain induces rejuvenation, whereas plastic strain does not.

Mechanical rejuvenation in bulk metallic glass induced by thermo-mechanical creep

DOE PAGES

Tong, Yang; Dmowski, W.; Bei, Hongbin; ...

2018-02-16

Using high energy X-ray diffraction we studied the temperature, stress, and time effect on structural changes in a Zr-based bulk metallic glass induced by thermo-mechanical creep. Pair distribution functions obtained from two-dimensional diffraction patterns show that thermo-mechanical creep induces structural disordering, but only when the stress beyond a threshold is applied. A similar threshold behavior was observed for anelastic strain. We conclude that anelastic creep strain induces rejuvenation, whereas plastic strain does not.

Understanding the tissue effects of tribo-corrosion: uptake, distribution, and speciation of cobalt and chromium in human bone cells.

PubMed

Shah, Karan M; Quinn, Paul D; Gartland, Alison; Wilkinson, J Mark

2015-01-01

Cobalt and chromium species are released in the local tissues as a result of tribo-corrosion, and affect bone cell survival and function. However we have little understanding of the mechanisms of cellular entry, intracellular distribution, and speciation of the metals that result in impaired bone health. Here we used synchrotron based X-ray fluorescence (XRF), X-ray absorption spectroscopy (XAS), and fluorescent-probing approaches of candidate receptors P2X7R and divalent metal transporter-1 (DMT-1), to better understand the entry, intra-cellular distribution and speciation of cobalt (Co) and chromium (Cr) in human osteoblasts and primary human osteoclasts. We found that both Co and Cr were most highly localized at nuclear and perinuclear sites in osteoblasts, suggesting uptake through cell membrane transporters, and supported by a finding that P2X7 receptor blockade reduced cellular entry of Co. In contrast, metal species were present at discrete sites corresponding to the basolateral membrane in osteoclasts, suggesting cell entry by endocytosis and trafficking through a functional secretory domain. An intracellular reduction of Cr6+ to Cr3+ was the only redox change observed in cells treated with Co2+, Cr3+, and Cr6+. Our data suggest that the cellular uptake and processing of Co and Cr differs between osteoblasts and osteoclasts. © 2014 The Authors. Journal of Orthopaedic Research published by Wiley Periodicals, Inc. on behalf of the Orthopaedic Research Society.

Gonioreflectometric properties of metal surfaces

NASA Astrophysics Data System (ADS)

Jaanson, P.; Manoocheri, F.; Mäntynen, H.; Gergely, M.; Widlowski, J.-L.; Ikonen, E.

2014-12-01

Angularly resolved measurements of scattered light from surfaces can provide useful information in various fields of research and industry, such as computer graphics, satellite based Earth observation etc. In practice, empirical or physics-based models are needed to interpolate the measurement results, because a thorough characterization of the surfaces under all relevant conditions may not be feasible. In this work, plain and anodized metal samples were prepared and measured optically for bidirectional reflectance distribution function (BRDF) and mechanically for surface roughness. Two models for BRDF (Torrance-Sparrow model and a polarimetric BRDF model) were fitted to the measured values. A better fit was obtained for plain metal surfaces than for anodized surfaces.

Nanoscale Fluorescent Metal-Organic Framework@Microporous Organic Polymer Composites for Enhanced Intracellular Uptake and Bioimaging.

PubMed

Wang, Lei; Wang, Weiqi; Zheng, Xiaohua; Li, Zhensheng; Xie, Zhigang

2017-01-26

Polymer-modified metal-organic frameworks combine the advantages of both soft polymers and crystalline metal-organic frameworks (MOFs). It is a big challenge to develop simple methods for surface modification of MOFs. In this work, MOF@microporous organic polymer (MOP) hybrid nanoparticles (UNP) have been synthesized by epitaxial growth of luminescent boron-dipyrromethene (BODIPYs)-imine MOPs on the surface of UiO-MOF seeds, which exhibit low cytotoxicity, smaller size distribution, well-retained pore integrity, and available functional sites. After folic acid grafting, the enhanced intracellular uptake and bioimaging was validated. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The importance of organic matter distribution and extract soil:solution ratio on the desorption of heavy metals from soils.

PubMed

Yin, Yujun; Impellitteri, Christopher A; You, Sun-Jae; Allen, Herbert E

2002-03-15

The lability (mobility and bioavailability) of metals varies significantly with soil properties for similar total soil metal concentrations. We studied desorption of Cu, Ni and Zn, from 15 diverse, unamended soils. These studies included evaluation of the effects of soil:solution extraction ratio and the roles of soil properties on metal desorption. Dcsorption was examined for each metal by computing distribution coefficients (Kd) for each metal in each soil where Kd = [M]soil/[M]solution, Results from soil:solution ratio studies demonstrated that Kd values for the metals tended to increase with increasing soil:solution ratio. This result also held true for distribution of soil organic matter (SOM). Because the soil:solution ratio has a significant effect on measured metal distributions, we selected a high soil:solution ratio to more closely approach natural soil conditions. Copper showed strong affinity to operationally defined dissolved organic matter (DOM). In this study, DOM was operationally defined based on the total organic carbon (TOC) content in 0.45-microm or 0.22-microm filtrates of the extracts. The Kd of Cu correlated linearly (r2 = 0.91) with the Kd of organic matter (Kd-om) where the Kd-om is equal to SOM as measured by Walkley-Black wet combustion and converted to total carbon (TC) by a factor of 0.59. These values representing solid phase TC were then divided by soluble organic carbon as measured by TOC analysis (DOM). The conversion factor of 0.59 was employed in order to construct Kd-om values based on solid phase carbon and solution phase carbon. SOM plays a significant role in the fate of Cu in soil systems. Soil-solution distribution of Ni and Zn, as well as the activity of free Cu2+, were closely related to SOM, but not to DOM. Kd values for Ni, Zn and free Cu2+ in a particular soil were divided by the SOM content in the same soil. This normalization of the Kd values for Ni, Zn, and free Cu2+ to the SOM content resulted in significant improvements in the linear relationships between non-normalized Kd values and soil pH. The semi-empirical normalized regression equations can be used to predict the solubility of Ni and Zn and the activity of free Cu2+ as a function of pH.

Cytosolic distributions of highly toxic metals Cd and Tl and several essential elements in the liver of brown trout (Salmo trutta L.) analyzed by size exclusion chromatography and inductively coupled plasma mass spectrometry.

PubMed

Dragun, Zrinka; Krasnići, Nesrete; Kolar, Nicol; Filipović Marijić, Vlatka; Ivanković, Dušica; Erk, Marijana

2018-05-15

Cytosolic distributions of nonessential metals Cd and Tl and seven essential elements among compounds of different molecular masses were studied in the liver of brown trout (Salmo trutta) from the karstic Krka River in Croatia. Analyses were done by size exclusion high performance liquid chromatography and high resolution inductively coupled plasma mass spectrometry. Common feature of Cd and Tl, as highly toxic elements, was their distribution within only two narrow peaks. The increase of cytosolic Cd concentrations was reflected in marked increase of Cd elution within low molecular mass peak (maximum at ∼15 kDa), presumably containing metallothioneins (MTs), which indicated successful Cd detoxification in brown trout liver under studied exposure conditions. Contrary, the increase of cytosolic Tl concentrations was reflected in marked increase of Tl elution within high molecular mass peak (maximum at 140 kDa), which probably indicated incomplete Tl detoxification. Common feature of the majority of studied essential elements was their distribution within more peaks, often broad and not well resolved, which is consistent with their numerous physiological functions. Among observed associations of essential metals/nonmetal to proteins, the following could be singled out: Cu and Zn association to MTs, Fe association to storage protein ferritin, and Se association to compounds of very low molecular masses (<5 kDa). The obtained results present the first step towards identification of metal-binding compounds in hepatic cytosol of brown trout, and thus a significant contribution to better understanding of metal fate in the liver of that important bioindicator species. Copyright © 2018 Elsevier Ltd. All rights reserved.

Surface-enhanced Raman scattering and DFT investigation of 1,5-diphenylcarbazide and its metal complexes with Ca(II), Mn(II), Fe(III) and Cu(II)

NASA Astrophysics Data System (ADS)

Szabó, László; Herman, Krisztian; Mircescu, Nicoleta Elena; Tódor, István Szabolcs; Simon, Botond Lorand; Boitor, Radu Alex; Leopold, Nicolae; Chiş, Vasile

2014-09-01

In recent years, surface-enhanced Raman scattering (SERS) has become an increasingly viable method for the detection of metal ions, evidenced by the existing studies on metal complexes. In this study, 1,5-diphenylcarbazide (DPC) and its Ca(II), Mn(II), Fe(III) and Cu(II) complexes were investigated by FTIR/ATR, FT-Raman and surface-enhanced Raman spectroscopies. The hybrid B3LYP exchange-correlation functional was used for the molecular geometry optimizations, molecular electrostatic potential (MEP) distribution and vibrational frequencies calculations of the DPC molecule and its complexes. Based on experimental and theoretical data, we were able to accurately identify unique and representative features for each DPC-metal complex, features that enable the detection of said metal complexes in millimolar concentrations.

Zinc in Cellular Regulation: The Nature and Significance of "Zinc Signals".

PubMed

Maret, Wolfgang

2017-10-31

In the last decade, we witnessed discoveries that established Zn 2+ as a second major signalling metal ion in the transmission of information within cells and in communication between cells. Together with Ca 2+ and Mg 2+ , Zn 2+ covers biological regulation with redox-inert metal ions over many orders of magnitude in concentrations. The regulatory functions of zinc ions, together with their functions as a cofactor in about three thousand zinc metalloproteins, impact virtually all aspects of cell biology. This article attempts to define the regulatory functions of zinc ions, and focuses on the nature of zinc signals and zinc signalling in pathways where zinc ions are either extracellular stimuli or intracellular messengers. These pathways interact with Ca 2+ , redox, and phosphorylation signalling. The regulatory functions of zinc require a complex system of precise homeostatic control for transients, subcellular distribution and traffic, organellar homeostasis, and vesicular storage and exocytosis of zinc ions.

Effects of Different Zinc Species on Cellar Zinc Distribution, Cell Cycle, Apoptosis and Viability in MDAMB231 Cells.

PubMed

Wang, Yan-hong; Zhao, Wen-jie; Zheng, Wei-juan; Mao, Li; Lian, Hong-zhen; Hu, Xin; Hua, Zi-chun

2016-03-01

Intracellular metal elements exist in mammalian cells with the concentration range from picomoles per litre to micromoles per litre and play a considerable role in various biological procedures. Element provided by different species can influence the availability and distribution of the element in a cell and could lead to different biological effects on the cell's growth and function. Zinc as an abundant and widely distributed essential trace element, is involved in numerous and relevant physiological functions. Zinc homeostasis in cells, which is regulated by metallothioneins, zinc transporter/SLC30A, Zrt-/Irt-like proteins/SLC39A and metal-response element-binding transcription factor-1 (MTF-1), is crucial for normal cellular functioning. In this study, we investigated the influences of different zinc species, zinc sulphate, zinc gluconate and bacitracin zinc, which represented inorganic, organic and biological zinc species, respectively, on cell cycle, viability and apoptosis in MDAMB231 cells. It was found that the responses of cell cycle, apoptosis and death to different zinc species in MDAMB231 cells are different. Western blot analysis of the expression of several key proteins in regulating zinc-related transcription, cell cycle, apoptosis, including MTF-1, cyclin B1, cyclin D1, caspase-8 and caspase-9 in treated cells further confirmed the observed results on cell level.

Measuring charge nonuniformity in MOS devices

NASA Technical Reports Server (NTRS)

Maserjian, J.; Zamani, N.

1980-01-01

Convenient method of determining inherent lateral charge non-uniformities along silicon dioxide/silicon interface of metal-oxide-semiconductor (MOS) employs rapid measurement of capacitance of interface as function of voltage at liquid nitrogen temperature. Charge distribution is extracted by fast-Fourier-transform analysis of capacitance voltage (C-V) measurement.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sommer, S.E.; Diachenko, G.; Pyzik, A.

The sediments and interstitial waters of four rivers of the Chesapeake Bay, the Potomac, Patuxent, Severn, and Magothy, were analyzed for trace metals (Cu, Ni and Pb in the waters, Cu, Ni, Pb, Co, Cr, V and C in the sediments) to determine their distribution as a function of natural and man induced processes.

Massive Star Cluster Populations in Irregular Galaxies as Probable Younger Counterparts of Old Metal-rich Globular Cluster Populations in Spheroids

NASA Astrophysics Data System (ADS)

Kravtsov, V. V.

2006-09-01

Peak metallicities of metal-rich populations of globular clusters (MRGCs) belonging to early-type galaxies and spheroidal subsystems of spiral galaxies (spheroids) of different mass fall within the somewhat conservative -0.7<=[Fe/H]<=-0.3 range. Indeed, if possible age effects are taken into account, this metallicity range might become smaller. Irregular galaxies such as the Large Magellanic Cloud (LMC), with longer timescales of formation and lower star formation (SF) efficiency, do not contain old MRGCs with [Fe/H]>-1.0, but they are observed to form populations of young/intermediate-age massive star clusters (MSCs) with masses exceeding 104 Msolar. Their formation is widely believed to be an accidental process fully dependent on external factors. From the analysis of available data on the populations and their hosts, including intermediate-age populous star clusters in the LMC, we find that their most probable mean metallicities fall within -0.7<=[Fe/H]<=-0.3, as the peak metallicities of MRGCs do, irrespective of signs of interaction. Moreover, both the disk giant metallicity distribution function (MDF) in the LMC and the MDFs for old giants in the halos of massive spheroids exhibit a significant increase toward [Fe/H]~-0.5. That is in agreement with a correlation found between SF activity in galaxies and their metallicity. The formation of both the old MRGCs in spheroids and MSC populations in irregular galaxies probably occurs at approximately the same stage of the host galaxies' chemical evolution and is related to the essentially increased SF activity in the hosts around the same metallicity that is achieved very early in massive spheroids, later in lower mass spheroids, and much later in irregular galaxies. Changes in the interstellar dust, particularly in elemental abundances in dust grains and in the mass distribution function of the grains, may be among the factors regulating star and MSC formation activity in galaxies. Strong interactions and mergers affecting the MSC formation presumably play an additional role, although they can substantially intensify the internally regulated MSC formation process. Several implications of our suggestions are briefly discussed.

Distribution of heavy metals in road dust along an urban-rural gradient in Massachusetts

NASA Astrophysics Data System (ADS)

Apeagyei, Eric; Bank, Michael S.; Spengler, John D.

2011-04-01

Human exposures to particulate matter emitted from on-road motor vehicles include complex mixtures of metals from tires, brakes, parts wear and resuspended road dust. The aim of this study was to assess road dust for metals associated with motor vehicle traffic, particularly those metals coming from brake and tire wears. We hypothesized that the road dust would show significant difference in both composition and concentration by traffic type, road class and by location. X-ray fluorescence (XRF) analyses of 115 parked car tires showed Zn and Ca were likely associated with tire wear dust. XRF results of three used brake pads indicated high concentrations of Fe, Ti, Cu, Ba, Mo and Zr. To assess heavy metal exposures associated with tires and brake wear adjacent to roads of varying traffic and functional classes, 85 samples of road dust were collected from road surfaces adjacent to the curb and analyzed by XRF. Median concentrations for Fe, Ca and K were greater than Ti (1619 ppm), with concentration ratios of Fe: Ca: K: Ti [16:5:3:1]. Cumulative frequency distribution graphs showed distribution of Fe, Ba, Cu, and Mo were similar regardless of road traffic rating. However, Zn, Ti, and Zr varied significantly ( p < 0.05) with traffic ratings of roadways (heavy > moderate > low traffic). Fe, Ba, Cu, and Mo also had similar distributions regardless of road class while composition of Zn, Ti, and Zr varied significantly across road class ( p < 0.05) (Major roads > Minor roads > highway). In comparing urban road dust to rural road dust, we observed Fe, Ca, K, and Ti were significantly greater in urban road dust ( p < 0.05). In urban road dust the Fe: Ca: K: Ti relationship with median Ti of 2216 ppm was 12: 6: 3.5: 1. These results indicate that roadway dust may be important sources of metals for runoff water and localized resuspended particulate matter.

Biotic and abiotic retention, recycling and remineralization of metals in the ocean

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boyd, Philip W.; Ellwood, Michael J.; Tagliabue, Alessandro

Trace metals shape both the biogeochemical functioning and biological structure of oceanic provinces. Trace metal biogeochemistry has primarily focused on modes of external supply of metals from aeolian, hydrothermal, sedimentary and other sources. However, metals also undergo internal transformations such as abiotic and biotic retention, recycling and remineralization. The role of these internal transformations in metal biogeochemical cycling is now coming into focus. First, the retention of metals by biota in the surface ocean for days, weeks or months depends on taxon-specific metal requirements of phytoplankton, and on their ultimate fate: that is, viral lysis, senescence, grazing and/or export tomore » depth. Rapid recycling of metals in the surface ocean can extend seasonal productivity by maintaining higher levels of metal bioavailability compared to the influence of external metal input alone. As metal-containing organic particles are exported from the surface ocean, different metals exhibit distinct patterns of remineralization with depth. These patterns are mediated by a wide range of physicochemical and microbial processes such as the ability of particles to sorb metals, and are influenced by the mineral and organic characteristics of sinking particles. We conclude that internal metal transformations play an essential role in controlling metal bioavailability, phytoplankton distributions and the subsurface resupply of metals.« less

The metallicity of the intracluster medium over cosmic time: further evidence for early enrichment

NASA Astrophysics Data System (ADS)

Mantz, Adam B.; Allen, Steven W.; Morris, R. Glenn; Simionescu, Aurora; Urban, Ondrej; Werner, Norbert; Zhuravleva, Irina

2017-12-01

We use Chandra X-ray data to measure the metallicity of the intracluster medium (ICM) in 245 massive galaxy clusters selected from X-ray and Sunyaev-Zel'dovich (SZ) effect surveys, spanning redshifts 0 < z < 1.2. Metallicities were measured in three different radial ranges, spanning cluster cores through their outskirts. We explore trends in these measurements as a function of cluster redshift, temperature and surface brightness 'peakiness' (a proxy for gas cooling efficiency in cluster centres). The data at large radii (0.5-1 r500) are consistent with a constant metallicity, while at intermediate radii (0.1-0.5 r500) we see a late-time increase in enrichment, consistent with the expected production and mixing of metals in cluster cores. In cluster centres, there are strong trends of metallicity with temperature and peakiness, reflecting enhanced metal production in the lowest entropy gas. Within the cool-core/sharply peaked cluster population, there is a large intrinsic scatter in central metallicity and no overall evolution, indicating significant astrophysical variations in the efficiency of enrichment. The central metallicity in clusters with flat surface brightness profiles is lower, with a smaller intrinsic scatter, but increases towards lower redshifts. Our results are consistent with other recent measurements of ICM metallicity as a function of redshift. They reinforce the picture implied by observations of uniform metal distributions in the outskirts of nearby clusters, in which most of the enrichment of the ICM takes place before cluster formation, with significant later enrichment taking place only in cluster centres, as the stellar populations of the central galaxies evolve.

Distribution of arsenic and copper in sediment pore water: an ecological risk assessment case study for offshore drilling waste discharges.

PubMed

Sadiq, Rehan; Husain, Tahir; Veitch, Brian; Bose, Neil

2003-12-01

Due to the hydrophobic nature of synthetic based fluids (SBFs), drilling cuttings are not very dispersive in the water column and settle down close to the disposal site. Arsenic and copper are two important toxic heavy metals, among others, found in the drilling waste. In this article, the concentrations of heavy metals are determined using a steady state "aquivalence-based" fate model in a probabilistic mode. Monte Carlo simulations are employed to determine pore water concentrations. A hypothetical case study is used to determine the water quality impacts for two discharge options: 4% and 10% attached SBFs, which correspond to the best available technology option and the current discharge practice in the U.S. offshore. The exposure concentration (CE) is a predicted environmental concentration, which is adjusted for exposure probability and bioavailable fraction of heavy metals. The response of the ecosystem (RE) is defined by developing an empirical distribution function of predicted no-effect concentration. The pollutants' pore water concentrations within the radius of 750 m are estimated and cumulative distributions of risk quotient (RQ=CE/RE) are developed to determine the probability of RQ greater than 1.

Method for removing metal ions from solution with titanate sorbents

DOEpatents

Lundquist, Susan H.; White, Lloyd R.

1999-01-01

A method for removing metal ions from solution comprises the steps of providing titanate particles by spray-drying a solution or slurry comprising sorbent titanates having a particle size up to 20 micrometers, optionally in the presence of polymer free of cellulose functionality as binder, said sorbent being active towards heavy metals from Periodic Table (CAS version) Groups IA, IIA, IB, IIB, IIIB, and VIII, to provide monodisperse, substantially spherical particles in a yield of at least 70 percent of theoretical yield and having a particle size distribution in the range of 1 to 500 micrometers. The particles can be used free flowing in columns or beds, or entrapped in a nonwoven, fibrous web or matrix or a cast porous membrane, to selectively remove metal ions from aqueous or organic liquid.

Bimodal star formation - Constraints from the solar neighborhood

NASA Technical Reports Server (NTRS)

Wyse, Rosemary F. G.; Silk, J.

1987-01-01

The chemical evolution resulting from a simple model of bimodal star formulation is investigated, using constraints from the solar neighborhood to set the parameters of the initial mass function and star formation rate. The two modes are an exclusively massive star mode, which forms stars at an exponentially declining rate, and a mode which contains stars of all masses and has a constant star formation rate. Satisfactory agreement with the age-metallicity relation for the thin disk and with the metallicity structure of the thin-disk and spheroid stars is possible only for a small range of parameter values. The preferred model offers a resolution to several of the long-standing problems of galactic chemical evolution, including explanations of the age-metallicity relation, the gas consumption time scale, and the stellar cumulative metallicity distributions.

Wavelength-dependent visible light response in vertically aligned nanohelical TiO2-based Schottky diodes

NASA Astrophysics Data System (ADS)

Kwon, Hyunah; Sung, Ji Ho; Lee, Yuna; Jo, Moon-Ho; Kim, Jong Kyu

2018-01-01

Enhancements in photocatalytic performance under visible light have been reported by noble metal functionalization on nanostructured TiO2; however, the non-uniform and discrete distribution of metal nanoparticles on the TiO2 surface makes it difficult to directly clarify the optical and electrical mechanisms. Here, we investigate the light absorption and the charge separation at the metal/TiO2 Schottky junctions by using a unique device architecture with an array of TiO2 nanohelixes (NHs) forming Schottky junctions both with Au-top and Pt-bottom electrodes. Wavelength-dependent photocurrent measurements through the Pt/TiO2 NHs/Au structures revealed that the origin of the visible light absorption and the separation of photogenerated carriers is the internal photoemission at the metal/nanostructured TiO2 Schottky junctions. In addition, a huge persistent photoconductivity was observed by the time-dependent photocurrent measurement, implying a long lifetime of the photogenerated carriers before recombination. We believe that the results help one to understand the role of metal functionalization on TiO2 and hence to enhance the photocatalytic efficiency by utilizing appropriately designed Schottky junctions.

MCTBI: a web server for predicting metal ion effects in RNA structures.

PubMed

Sun, Li-Zhen; Zhang, Jing-Xiang; Chen, Shi-Jie

2017-08-01

Metal ions play critical roles in RNA structure and function. However, web servers and software packages for predicting ion effects in RNA structures are notably scarce. Furthermore, the existing web servers and software packages mainly neglect ion correlation and fluctuation effects, which are potentially important for RNAs. We here report a new web server, the MCTBI server (http://rna.physics.missouri.edu/MCTBI), for the prediction of ion effects for RNA structures. This server is based on the recently developed MCTBI, a model that can account for ion correlation and fluctuation effects for nucleic acid structures and can provide improved predictions for the effects of metal ions, especially for multivalent ions such as Mg 2+ effects, as shown by extensive theory-experiment test results. The MCTBI web server predicts metal ion binding fractions, the most probable bound ion distribution, the electrostatic free energy of the system, and the free energy components. The results provide mechanistic insights into the role of metal ions in RNA structure formation and folding stability, which is important for understanding RNA functions and the rational design of RNA structures. © 2017 Sun et al.; Published by Cold Spring Harbor Laboratory Press for the RNA Society.

PIXE-electrophoresis shows starving collembolan reallocates protein-bound metals.

PubMed

Bengtsson, Göran; Pallon, Jan; Nilsson, Christina; Triebskorn, Rita; Köhler, Heinz-R

2016-01-01

One of multiple functions of metalloproteins is to provide detoxification to excess metal levels in organisms. Here we address the induction and persistence of a range of low to high molecular weight copper- and zinc binding proteins in the collembolan species Tetrodontophora bielanensis exposed to copper- and zinc-enriched food, followed by a period of recovery from metal exposure, in absence and presence of food. After 10 days of feeding copper and zinc contaminated yeast, specimens were either moved to ample of leaf litter material from their woodland stand of origin or starved (no food offered). The molecular weight distribution of metal binding proteins was determined by native polyacryl gel electrophoresis. One gel was stained with Comassie brilliant blue and a duplicate gel dried and scanned for the amount of copper and zinc by particle-induced X-ray emission. Specimens exposed to copper and recovered from it with ample of food had copper bound to two groups of rather low molecular weight proteins (40-50 kDa) and two of intermediate size (70-80 kDa). Most zinc in specimens from the woodland stand was bound to two large proteins of about 104 and 106 kDa. The same proteins were holding some zinc in metal-exposed specimens, but most zinc was found in proteins <40 kDa in size. Specimens recovered from metal exposure in presence of ample of food had the same distribution pattern of zinc binding proteins, whereas starved specimens had zinc as well as copper mainly bound to two proteins of 8 and 10 kDa in size. Thus, the induction and distribution of copper- and zinc-binding proteins depend on exposure conditions, and the presence of low molecular weight binding proteins, characteristic of metallothioneins, was mainly limited to starving conditions.

New insights into globoids of protein storage vacuoles in wheat aleurone using synchrotron soft X-ray microscopy

PubMed Central

Regvar, Marjana; Eichert, Diane; Kaulich, Burkhard; Gianoncelli, Alessandra; Pongrac, Paula; Vogel-Mikuš, Katarina; Kreft, Ivan

2011-01-01

Mature developed seeds are physiologically and biochemically committed to store nutrients, principally as starch, protein, oils, and minerals. The composition and distribution of elements inside the aleurone cell layer reflect their biogenesis, structural characteristics, and physiological functions. It is therefore of primary importance to understand the mechanisms underlying metal ion accumulation, distribution, storage, and bioavailability in aleurone subcellular organelles for seed fortification purposes. Synchrotron radiation soft X-ray full-field imaging mode (FFIM) and low-energy X-ray fluorescence (LEXRF) spectromicroscopy were applied to characterize major structural features and the subcellular distribution of physiologically important elements (Zn, Fe, Na, Mg, Al, Si, and P). These direct imaging methods reveal the accumulation patterns between the apoplast and symplast, and highlight the importance of globoids with phytic acid mineral salts and walls as preferential storage structures. C, N, and O chemical topographies are directly linked to the structural backbone of plant substructures. Zn, Fe, Na, Mg, Al, and P were linked to globoid structures within protein storage vacuoles with variable levels of co-localization. Si distribution was atypical, being contained in the aleurone apoplast and symplast, supporting a physiological role for Si in addition to its structural function. These results reveal that the immobilization of metals within the observed endomembrane structures presents a structural and functional barrier and affects bioavailability. The combination of high spatial and chemical X-ray microscopy techniques highlights how in situ analysis can yield new insights into the complexity of the wheat aleurone layer, whose precise biochemical composition, morphology, and structural characteristics are still not unequivocally resolved. PMID:21447756

Regularities of Filamentary Channels Formation During Formation of Nanostructured Non-Metallic Inorganic Coatings in Microplasma Galvanostatic Mode in Solutions

NASA Astrophysics Data System (ADS)

Mamaev, A. I.; Mamaeva, V. A.; Kolenchin, N. F.; Chubenko, A. K.; Kovalskaya, Ya. B.; Konstantinova, T. A.; Dolgova, Yu. N.; Beletskaya, E. Yu.

2016-04-01

This paper presents the theoretical models describing the growth of filamentary channels of nanostructured non-metallic coatings formed by anodizing and microplasma oxidation. The authors identified dependences of the number of pores on the coating thickness. The paper presents graphic dependences of the number of filamentary channels on the process time and the coating thickness. These dependences allow calculating through and surface porosity, and in cases, when the pores are filled with functional material, they allow calculating the concentration distribution of this functional material throughout the coating thickness. The theoretical models enhance our understanding of the nature of anode processes and can be used to describe and forecast the growth and filling of porous coatings, so they can also be used to create functional and bioactive materials.

A density-functional study of the phase diagram of cementite-type (Fe,Mn)3C at absolute zero temperature.

PubMed

Von Appen, Jörg; Eck, Bernhard; Dronskowski, Richard

2010-11-15

The phase diagram of (Fe(1-x) Mn(x))(3)C has been investigated by means of density-functional theory (DFT) calculations at absolute zero temperature. The atomic distributions of the metal atoms are not random-like as previously proposed but we find three different, ordered regions within the phase range. The key role is played by the 8d metal site which forms, as a function of the composition, differing magnetic layers, and these dominate the physical properties. We calculated the magnetic moments, the volumes, the enthalpies of mixing and formation of 13 different compositions and explain the changes of the macroscopic properties with changes in the electronic and magnetic structures by means of bonding analyses using the Crystal Orbital Hamilton Population (COHP) technique. 2010 Wiley Periodicals, Inc.

The Role of Interfacial Electronic Properties on Phonon Transport in Two-Dimensional MoS 2 on Metal Substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Zhequan; Chen, Liang; Yoon, Mina

2016-11-08

In this paper, we investigate the role of interfacial electronic properties on the phonon transport in two-dimensional MoS 2 adsorbed on metal substrates (Au and Sc) using first-principles density functional theory and the atomistic Green’s function method. Our study reveals that the different degree of orbital hybridization and electronic charge distribution between MoS 2 and metal substrates play a significant role in determining the overall phonon–phonon coupling and phonon transmission. The charge transfer caused by the adsorption of MoS 2 on Sc substrate can significantly weaken the Mo–S bond strength and change the phonon properties of MoS 2, which resultmore » in a significant change in thermal boundary conductance (TBC) from one lattice-stacking configuration to another for same metallic substrate. In a lattice-stacking configuration of MoS 2/Sc, weakening of the Mo–S bond strength due to charge redistribution results in decrease in the force constant between Mo and S atoms and substantial redistribution of phonon density of states to low-frequency region which affects overall phonon transmission leading to 60% decrease in TBC compared to another configuration of MoS 2/Sc. Strong chemical coupling between MoS 2 and the Sc substrate leads to a significantly (~19 times) higher TBC than that of the weakly bound MoS 2/Au system. Our findings demonstrate the inherent connection among the interfacial electronic structure, the phonon distribution, and TBC, which helps us understand the mechanism of phonon transport at the MoS 2/metal interfaces. Finally, the results provide insights for the future design of MoS 2-based electronics and a way of enhancing heat dissipation at the interfaces of MoS 2-based nanoelectronic devices.« less

Clinical evaluation of a commercial orthopedic metal artifact reduction tool for CT simulations in radiation therapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li Hua; Noel, Camille; Chen, Haijian

Purpose: Severe artifacts in kilovoltage-CT simulation images caused by large metallic implants can significantly degrade the conspicuity and apparent CT Hounsfield number of targets and anatomic structures, jeopardize the confidence of anatomical segmentation, and introduce inaccuracies into the radiation therapy treatment planning process. This study evaluated the performance of the first commercial orthopedic metal artifact reduction function (O-MAR) for radiation therapy, and investigated its clinical applications in treatment planning. Methods: Both phantom and clinical data were used for the evaluation. The CIRS electron density phantom with known physical (and electron) density plugs and removable titanium implants was scanned on amore » Philips Brilliance Big Bore 16-slice CT simulator. The CT Hounsfield numbers of density plugs on both uncorrected and O-MAR corrected images were compared. Treatment planning accuracy was evaluated by comparing simulated dose distributions computed using the true density images, uncorrected images, and O-MAR corrected images. Ten CT image sets of patients with large hip implants were processed with the O-MAR function and evaluated by two radiation oncologists using a five-point score for overall image quality, anatomical conspicuity, and CT Hounsfield number accuracy. By utilizing the same structure contours delineated from the O-MAR corrected images, clinical IMRT treatment plans for five patients were computed on the uncorrected and O-MAR corrected images, respectively, and compared. Results: Results of the phantom study indicated that CT Hounsfield number accuracy and noise were improved on the O-MAR corrected images, especially for images with bilateral metal implants. The {gamma} pass rates of the simulated dose distributions computed on the uncorrected and O-MAR corrected images referenced to those of the true densities were higher than 99.9% (even when using 1% and 3 mm distance-to-agreement criterion), suggesting that dose distributions were clinically identical. In all patient cases, radiation oncologists rated O-MAR corrected images as higher quality. Formerly obscured critical structures were able to be visualized. The overall image quality and the conspicuity in critical organs were significantly improved compared with the uncorrected images: overall quality score (1.35 vs 3.25, P= 0.0022); bladder (2.15 vs 3.7, P= 0.0023); prostate and seminal vesicles/vagina (1.3 vs 3.275, P= 0.0020); rectum (2.8 vs 3.9, P= 0.0021). The noise levels of the selected ROIs were reduced from 93.7 to 38.2 HU. On most cases (8/10), the average CT Hounsfield numbers of the prostate/vagina on the O-MAR corrected images were closer to the referenced value (41.2 HU, an average measured from patients without metal implants) than those on the uncorrected images. High {gamma} pass rates of the five IMRT dose distribution pairs indicated that the dose distributions were not significantly affected by the CT image improvements. Conclusions: Overall, this study indicated that the O-MAR function can remarkably reduce metal artifacts and improve both CT Hounsfield number accuracy and target and critical structure visualization. Although there was no significant impact of the O-MAR algorithm on the calculated dose distributions, we suggest that O-MAR corrected images are more suitable for the entire treatment planning process by offering better anatomical structure visualization, improving radiation oncologists' confidence in target delineation, and by avoiding subjective density overrides of artifact regions on uncorrected images.« less

Clinical evaluation of a commercial orthopedic metal artifact reduction tool for CT simulations in radiation therapy

PubMed Central

Li, Hua; Noel, Camille; Chen, Haijian; Harold Li, H.; Low, Daniel; Moore, Kevin; Klahr, Paul; Michalski, Jeff; Gay, Hiram A.; Thorstad, Wade; Mutic, Sasa

2012-01-01

Purpose: Severe artifacts in kilovoltage-CT simulation images caused by large metallic implants can significantly degrade the conspicuity and apparent CT Hounsfield number of targets and anatomic structures, jeopardize the confidence of anatomical segmentation, and introduce inaccuracies into the radiation therapy treatment planning process. This study evaluated the performance of the first commercial orthopedic metal artifact reduction function (O-MAR) for radiation therapy, and investigated its clinical applications in treatment planning. Methods: Both phantom and clinical data were used for the evaluation. The CIRS electron density phantom with known physical (and electron) density plugs and removable titanium implants was scanned on a Philips Brilliance Big Bore 16-slice CT simulator. The CT Hounsfield numbers of density plugs on both uncorrected and O-MAR corrected images were compared. Treatment planning accuracy was evaluated by comparing simulated dose distributions computed using the true density images, uncorrected images, and O-MAR corrected images. Ten CT image sets of patients with large hip implants were processed with the O-MAR function and evaluated by two radiation oncologists using a five-point score for overall image quality, anatomical conspicuity, and CT Hounsfield number accuracy. By utilizing the same structure contours delineated from the O-MAR corrected images, clinical IMRT treatment plans for five patients were computed on the uncorrected and O-MAR corrected images, respectively, and compared. Results: Results of the phantom study indicated that CT Hounsfield number accuracy and noise were improved on the O-MAR corrected images, especially for images with bilateral metal implants. The γ pass rates of the simulated dose distributions computed on the uncorrected and O-MAR corrected images referenced to those of the true densities were higher than 99.9% (even when using 1% and 3 mm distance-to-agreement criterion), suggesting that dose distributions were clinically identical. In all patient cases, radiation oncologists rated O-MAR corrected images as higher quality. Formerly obscured critical structures were able to be visualized. The overall image quality and the conspicuity in critical organs were significantly improved compared with the uncorrected images: overall quality score (1.35 vs 3.25, P = 0.0022); bladder (2.15 vs 3.7, P = 0.0023); prostate and seminal vesicles/vagina (1.3 vs 3.275, P = 0.0020); rectum (2.8 vs 3.9, P = 0.0021). The noise levels of the selected ROIs were reduced from 93.7 to 38.2 HU. On most cases (8/10), the average CT Hounsfield numbers of the prostate/vagina on the O-MAR corrected images were closer to the referenced value (41.2 HU, an average measured from patients without metal implants) than those on the uncorrected images. High γ pass rates of the five IMRT dose distribution pairs indicated that the dose distributions were not significantly affected by the CT image improvements. Conclusions: Overall, this study indicated that the O-MAR function can remarkably reduce metal artifacts and improve both CT Hounsfield number accuracy and target and critical structure visualization. Although there was no significant impact of the O-MAR algorithm on the calculated dose distributions, we suggest that O-MAR corrected images are more suitable for the entire treatment planning process by offering better anatomical structure visualization, improving radiation oncologists’ confidence in target delineation, and by avoiding subjective density overrides of artifact regions on uncorrected images. PMID:23231300

Stellar Multiplicity Meets Stellar Evolution and Metallicity: The APOGEE View

NASA Astrophysics Data System (ADS)

Badenes, Carles; Mazzola, Christine; Thompson, Todd A.; Covey, Kevin; Freeman, Peter E.; Walker, Matthew G.; Moe, Maxwell; Troup, Nicholas; Nidever, David; Allende Prieto, Carlos; Andrews, Brett; Barbá, Rodolfo H.; Beers, Timothy C.; Bovy, Jo; Carlberg, Joleen K.; De Lee, Nathan; Johnson, Jennifer; Lewis, Hannah; Majewski, Steven R.; Pinsonneault, Marc; Sobeck, Jennifer; Stassun, Keivan G.; Stringfellow, Guy S.; Zasowski, Gail

2018-02-01

We use the multi-epoch radial velocities acquired by the Apache Point Observatory Galactic Evolution Experiment (APOGEE) survey to perform a large-scale statistical study of stellar multiplicity for field stars in the Milky Way, spanning the evolutionary phases between the main sequence (MS) and the red clump. We show that the distribution of maximum radial velocity shifts (ΔRVmax) for APOGEE targets is a strong function of log g, with MS stars showing ΔRVmax as high as ∼300 {km} {{{s}}}-1, and steadily dropping down to ∼30 {km} {{{s}}}-1 for log g ∼ 0, as stars climb up the red giant branch (RGB). Red clump stars show a distribution of ΔRVmax values comparable to that of stars at the tip of the RGB, implying they have similar multiplicity characteristics. The observed attrition of high ΔRVmax systems in the RGB is consistent with a lognormal period distribution in the MS and a multiplicity fraction of 0.35, which is truncated at an increasing period as stars become physically larger and undergo mass transfer after Roche Lobe overflow during H-shell burning. The ΔRVmax distributions also show that the multiplicity characteristics of field stars are metallicity-dependent, with metal-poor ([Fe/H] ≲ ‑0.5) stars having a multiplicity fraction a factor of 2–3 higher than metal-rich ([Fe/H] ≳ 0.0) stars. This has profound implications for the formation rates of interacting binaries observed by astronomical transient surveys and gravitational wave detectors, as well as the habitability of circumbinary planets.

Evaluation of space environmental effects on metals and optical thin films on EOIM-3

NASA Technical Reports Server (NTRS)

Vaughn, Jason A.; Linton, Roger C.; Finckenor, Miria M.; Kamenetzky, Rachel R.

1995-01-01

Metals and optical thin films exposed to the space environment on the Third Flight of the Evaluation of Oxygen Interactions with Materials (EOIM-3) payload, onboard Space Shuttle mission STS-46 were evaluated. The materials effects described in this paper include the effects of space exposure on various pure metals, optical thin films, and optical thin film metals. The changes induced by exposure to the space environment in the material properties were evaluated using bidirectional reflectance distribution function (BRDF), specular reflectance (250 nm to 2500 nm), ESCA, VUV reflectance (120 nm to 200 nm), ellipsometry, FTIR and optical properties. Using these analysis techniques gold optically thin film metal mirrors with nickel undercoats were observed to darken due to nickel diffusion through the gold to the surface. Also, thin film nickel mirrors formed nickel oxide due to exposure to both the atmosphere and space.

Metals - from privation to pollution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ulmer, D.D.

1973-07-01

It is becoming more apparent that the environment is not an unlimited void which can safely contain forever all of the by-products of man's activities. In some ways metal pollution raises different considerations from other forms of pollution. Metals are not man made, rather, they occur in nature but their distribution has been altered by man. In order to accurately assess the risks of pollution, meaningful data are required; however, limitations of analytical chemistry presently hinder accurate estimates of some metals. It is difficult to distinguish many metals from the effects of their excess because they have normal functions inmore » living systems. The hazards of lead and mercury are examined. Lead is primarily due to the ingestion of paint and plaster in slum housing. Mercury is a hazard because of industrial discharges in inland waterways and in the form of fungicides.« less

Effects of urbanization on heavy metal accumulation in surface soils, Beijing.

PubMed

Wang, Meie; Liu, Rui; Chen, Weiping; Peng, Chi; Markert, Bernd

2018-02-01

Urbanization processes affect the accumulation of heavy metals in urban soils. Effects of urbanization on heavy metal accumulation in soils were studied using Beijing as an example. It has been suggested that the ecological function of vegetation covers shifting from natural to agricultural settings and then to urban greenbelts could increase the zinc (Zn) concentrations of soils successively. The Zn concentration of urban soils was significantly correlated to the percentage of the impervious land surface at the 500m×500m spatial scale. For urban parks, the age or years since the development accounted for 80% of the variances of cadmium (Cd) and Zn in soils. The population density, however, did not affect the heavy metal distributions in urban soils. To conclude, the urban age turned out to be a notable factor in quantifying heavy metal accumulation in urban soils. Copyright © 2017. Published by Elsevier B.V.

Consumer-producer relationships for trace metals in Chorthippus brunneus (Thunberg. )

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, M.S.

1986-08-01

The behavior of trace metals in terrestrial food chains is a subject of ecological interest, particularly in polluted environments where the potential exists for bioconcentration of metals known to be essential in trace amounts for normal plant and animal metabolism, as well as those with no known metabolic function but recognized toxicological properties. Laboratory studies of food chain relationships afford a means by which direct comparisons can be made between trace metals as a basis for interpretation of data collected from wild plant and animal populations. This study compares the behavior of three trace elements, copper, zinc and cadmium, inmore » terms of their assimilation under experimental conditions by the herbivorous common field grasshopper, Chorthippus brunneus (Thunberg.). This voracious orthopteran is widely distributed in Britain and is particularly prominent in the restricted invertebrate community of some metal smelter-affected grasslands where it forms important seasonal prey for insectivorous small mammals.« less

Pareto-Lognormal Modeling of Known and Unknown Metal Resources. II. Method Refinement and Further Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agterberg, Frits, E-mail: agterber@nrcan.gc.ca

Pareto-lognormal modeling of worldwide metal deposit size–frequency distributions was proposed in an earlier paper (Agterberg in Nat Resour 26:3–20, 2017). In the current paper, the approach is applied to four metals (Cu, Zn, Au and Ag) and a number of model improvements are described and illustrated in detail for copper and gold. The new approach has become possible because of the very large inventory of worldwide metal deposit data recently published by Patiño Douce (Nat Resour 25:97–124, 2016c). Worldwide metal deposits for Cu, Zn and Ag follow basic lognormal size–frequency distributions that form straight lines on lognormal Q–Q plots. Aumore » deposits show a departure from the straight-line model in the vicinity of their median size. Both largest and smallest deposits for the four metals taken as examples exhibit hyperbolic size–frequency relations and their Pareto coefficients are determined by fitting straight lines on log rank–log size plots. As originally pointed out by Patiño Douce (Nat Resour Res 25:365–387, 2016d), the upper Pareto tail cannot be distinguished clearly from the tail of what would be a secondary lognormal distribution. The method previously used in Agterberg (2017) for fitting the bridge function separating the largest deposit size–frequency Pareto tail from the basic lognormal is significantly improved in this paper. A new method is presented for estimating the approximate deposit size value at which the upper tail Pareto comes into effect. Although a theoretical explanation of the proposed Pareto-lognormal distribution model is not a required condition for its applicability, it is shown that existing double Pareto-lognormal models based on Brownian motion generalizations of the multiplicative central limit theorem are not applicable to worldwide metal deposits. Neither are various upper tail frequency amplification models in their present form. Although a physicochemical explanation remains possible, it is argued that preferential mining of the largest and smallest orebodies can have economic historical reasons. The size–frequency distribution of uranium can be regarded as lognormal without Pareto tails. At the end of the paper, it is shown that original copper deposit size data can be used for forward projection of discovery trends toward the end of this century.« less

First-principles calculations of electronic transport through graphene with realistic metallic leads

NASA Astrophysics Data System (ADS)

Barraza-Lopez, Salvador; Chou, M. Y.

2009-03-01

We present transmission characteristics for electrons through graphene with realistic metallic contacts. The methodology relies on an in-house version of the electronic transport SMEAGOL code [1], in which the memory required to allocate for the matrices of contact leads and the graphene sheet in the Green's function solver is distributed into more than one processor, for a given electron energy. We are able to accommodate for commensurate graphene-metal supercells which have the correct atomic structure (namely, stress caused by contracting/extending the metal contacts to match the periodicity of graphene is avoided). In addition, and despite of the large size of the leads, the electronic properties and transport are computed at the density-functional theory level [2] within a double-zeta plus polarization basis[3], ensuring the accuracy of the atomic forces in the system, as well as on the final transmission characteristics. [1] A. R. Rocha et al, PRB. 73, 085414 (2006); [2] J. M. Soler et al, J. Phys.: Condens. Matter 14, 2745-2779 (2002); [3] J. Junquera et al, PRB 64, 235111 (2001).

The Functions of Metamorphic Metallothioneins in Zinc and Copper Metabolism.

PubMed

Krężel, Artur; Maret, Wolfgang

2017-06-09

Recent discoveries in zinc biology provide a new platform for discussing the primary physiological functions of mammalian metallothioneins (MTs) and their exquisite zinc-dependent regulation. It is now understood that the control of cellular zinc homeostasis includes buffering of Zn 2+ ions at picomolar concentrations, extensive subcellular re-distribution of Zn 2+ , the loading of exocytotic vesicles with zinc species, and the control of Zn 2+ ion signalling. In parallel, characteristic features of human MTs became known: their graded affinities for Zn 2+ and the redox activity of their thiolate coordination environments. Unlike the single species that structural models of mammalian MTs describe with a set of seven divalent or eight to twelve monovalent metal ions, MTs are metamorphic. In vivo, they exist as many species differing in redox state and load with different metal ions. The functions of mammalian MTs should no longer be considered elusive or enigmatic because it is now evident that the reactivity and coordination dynamics of MTs with Zn 2+ and Cu⁺ match the biological requirements for controlling-binding and delivering-these cellular metal ions, thus completing a 60-year search for their functions. MT represents a unique biological principle for buffering the most competitive essential metal ions Zn 2+ and Cu⁺. How this knowledge translates to the function of other families of MTs awaits further insights into the specifics of how their properties relate to zinc and copper metabolism in other organisms.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mantz, Adam B.; Allen, Steven W.; Morris, R. Glenn

Here, we use Chandra X-ray data to measure the metallicity of the intracluster medium (ICM) in 245 massive galaxy clusters selected from X-ray and Sunyaev–Zel'dovich (SZ) effect surveys, spanning redshifts 0 < z < 1.2. Metallicities were measured in three different radial ranges, spanning cluster cores through their outskirts. We explore trends in these measurements as a function of cluster redshift, temperature and surface brightness ‘peakiness’ (a proxy for gas cooling efficiency in cluster centres). The data at large radii (0.5–1 r500) are consistent with a constant metallicity, while at intermediate radii (0.1–0.5 r500) we see a late-time increase inmore » enrichment, consistent with the expected production and mixing of metals in cluster cores. In cluster centres, there are strong trends of metallicity with temperature and peakiness, reflecting enhanced metal production in the lowest entropy gas. Within the cool-core/sharply peaked cluster population, there is a large intrinsic scatter in central metallicity and no overall evolution, indicating significant astrophysical variations in the efficiency of enrichment. The central metallicity in clusters with flat surface brightness profiles is lower, with a smaller intrinsic scatter, but increases towards lower redshifts. Our results are consistent with other recent measurements of ICM metallicity as a function of redshift. They reinforce the picture implied by observations of uniform metal distributions in the outskirts of nearby clusters, in which most of the enrichment of the ICM takes place before cluster formation, with significant later enrichment taking place only in cluster centres, as the stellar populations of the central galaxies evolve.« less

The Host Galaxies of Type Ia Supernovae Discovered by the Palomar Transient Factory

NASA Technical Reports Server (NTRS)

Pan, Y.-C.; Sullivan, M.; McGuire, K.; Hook, I. M.; Nugent, P. E.; Howell, D. A.; Arcavi, I.; Botyanszki, J.; Cenko, Stephen Bradley; DeRose, J.

2013-01-01

We present spectroscopic observations of the host galaxies of 82 low-redshift type Ia supernovae (SNe Ia) discovered by the Palomar Transient Factory (PTF). We determine star-formation rates, gas-phase stellar metallicities, and stellar masses and ages of these objects. As expected, strong correlations between the SN Ia light-curve width (stretch) and the host age mass metallicity are found: fainter, faster-declining events tend to be hosted by older massive metal-rich galaxies. There is some evidence that redder SNe Ia explode in higher metallicity galaxies, but we found no relation between the SN colour and host galaxy extinction based on the Balmer decrement, suggesting that the colour variation of these SNe does not primarily arise from this source. SNe Ia in higher-mass metallicity galaxies also appear brighter after stretch colour corrections than their counterparts in lower mass hosts, and the stronger correlation is with gas-phase metallicity suggesting this may be the more important variable. We also compared the host stellar mass distribution to that in galaxy targeted SN surveys and the high-redshift untargeted Supernova Legacy Survey (SNLS). SNLS has many more low mass galaxies, while the targeted searches have fewer. This can be explained by an evolution in the galaxy stellar mass function, coupled with a SN delay-time distribution proportional to t1. Finally, we found no significant difference in the mass--metallicity relation of our SN Ia hosts compared to field galaxies, suggesting any metallicity effect on the SN Ia rate is small.

The Birth of a Galaxy: Primordial Metal Enrichment and Stellar Populations

NASA Astrophysics Data System (ADS)

Wise, John H.; Turk, Matthew J.; Norman, Michael L.; Abel, Tom

2012-01-01

By definition, Population III stars are metal-free, and their protostellar collapse is driven by molecular hydrogen cooling in the gas phase, leading to large characteristic masses. Population II stars with lower characteristic masses form when the star-forming gas reaches a critical metallicity of 10-6-10-3.5 Z ⊙. We present an adaptive mesh refinement radiation hydrodynamics simulation that follows the transition from Population III to Population II star formation. The maximum spatial resolution of 1 comoving parsec allows for individual molecular clouds to be well resolved and their stellar associations to be studied in detail. We model stellar radiative feedback with adaptive ray tracing. A top-heavy initial mass function for the Population III stars is considered, resulting in a plausible distribution of pair-instability supernovae and associated metal enrichment. We find that the gas fraction recovers from 5% to nearly the cosmic fraction in halos with merger histories rich in halos above 107 M ⊙. A single pair-instability supernova is sufficient to enrich the host halo to a metallicity floor of 10-3 Z ⊙ and to transition to Population II star formation. This provides a natural explanation for the observed floor on damped Lyα systems metallicities reported in the literature, which is of this order. We find that stellar metallicities do not necessarily trace stellar ages, as mergers of halos with established stellar populations can create superpositions of t-Z evolutionary tracks. A bimodal metallicity distribution is created after a starburst occurs when the halo can cool efficiently through atomic line cooling.

Net Shaped Component Fabrication of Refractory Metal Alloys using Vacuum Plasma Spraying

NASA Technical Reports Server (NTRS)

Sen, S.; ODell, S.; Gorti, S.; Litchford, R.

2006-01-01

The vacuum plasma spraying (VPS) technique was employed to produce dense and net shaped components of a new tungsten-rhenium (W-Re) refractory metal alloy. The fine grain size obtained using this technique enhanced the mechanical properties of the alloy at elevated temperatures. The alloy development also included incorporation of thermodynamically stable dispersion phases to pin down grain boundaries at elevated temperatures and thereby circumventing the inherent problem of recrystallization of refractory alloys at elevated temperatures. Requirements for such alloys as related to high temperature space propulsion components will be discussed. Grain size distribution as a function of cooling rate and dispersion phase loading will be presented. Mechanical testing and grain growth results as a function of temperature will also be discussed.

Contaminant distribution and accumulation in the surface sediments of Long Island Sound

USGS Publications Warehouse

Mecray, E.L.; Buchholtz ten Brink, Marilyn R.

2000-01-01

The distribution of contaminants in surface sediments has been measured and mapped as part of a U.S. Geological Survey study of the sediment quality and dynamics of Long Island Sound. Surface samples from 219 stations were analyzed for trace (Ag, Ba, Cd, Cr, Cu, Hg, Ni, Pb, V, Zn and Zr) and major (Al, Fe, Mn, Ca, and Ti) elements, grain size, and Clostridium perfringens spores. Principal Components Analysis was used to identify metals that may covary as a function of common sources or geochemistry. The metallic elements generally have higher concentrations in fine-grained deposits, and their transport and depositional patterns mimic those of small particles. Fine-grained particles are remobilized and transported from areas of high bottom energy and deposited in less dynamic regions of the Sound. Metal concentrations in bottom sediments are high in the western part of the Sound and low in the bottom-scoured regions of the eastern Sound. The sediment chemistry was compared to model results (Signell et al., 1998) and maps of sedimentary environments (Knebel et al., 1999) to better understand the processes responsible for contaminant distribution across the Sound. Metal concentrations were normalized to grain-size and the resulting ratios are uniform in the depositional basins of the Sound and show residual signals in the eastern end as well as in some local areas. The preferential transport of fine-grained material from regions of high bottom stress is probably the dominant factor controlling the metal concentrations in different regions of Long Island Sound. This physical redistribution has implications for environmental management in the region.

The relationship between CO emission and visual extinction traced by dust emission in the Magellanic Clouds

NASA Astrophysics Data System (ADS)

Lee, Cheoljong; Leroy, Adam K.; Schnee, Scott; Wong, Tony; Bolatto, Alberto D.; Indebetouw, Remy; Rubio, Monica

2015-07-01

To test the theoretical understanding that finding bright CO emission depends primarily on dust shielding, we investigate the relationship between CO emission (ICO) and the amount of dust (estimated from infrared emission and expressed as `AV') across the Large Magellanic Cloud (LMC), the Small Magellanic Cloud, and the Milky Way. We show that at our common resolution of 10 pc scales, ICO given a fixed line of sight AV is similar across all three systems despite the difference in metallicity. We find some evidence for a secondary dependence of ICO on radiation field; in the LMC, ICO at a given AV is smaller in regions of high Tdust, perhaps because of an increased photodissociating radiation field. We suggest a simple but useful picture in which the CO-to-H2 conversion factor (XCO) depends on two separable factors: (1) the distribution of gas column densities, which maps to an extinction distribution via a dust-to-gas ratio; and (2) the dependence of ICO on AV. Assuming that the probability distribution function (PDF) of local Milky Way clouds is universal, this approach predicts a dependence of {X_CO} on Z between Z-1 and Z-2 above about a third solar metallicity. Below this metallicity, CO emerges from only the high column density parts of the cloud and so depends very sensitively on the adopted PDF and the H2/H I prescription. The PDF of low-metallicity clouds is thus of considerable interest and the uncertainty associated with even an ideal prescription for XCO at very low metallicity will be large.

Small-Molecule Fluorescent Sensors for Investigating Zinc Metalloneurochemistry

PubMed Central

Nolan, Elizabeth M.; Lippard, Stephen J.

2008-01-01

Conspectus Metal ions are involved in many neurobiological processes relevant to human health and disease. The metalloneurochemistry of Zn(II) is of substantial current interest. Zinc is the second most abundant d-block metal ion in the human brain and its distribution varies, with relatively high concentrations found in the hippocampus. Brain zinc is generally divided into two categories: protein-bound and loosely-bound. The latter pool is also referred to as histochemically observable, chelatable, labile, or mobile zinc. The neurophysiological and neuropathological significance of such mobile Zn(II) remains enigmatic. Studies of Zn(II) distribution, translocation, and function in vivo require tools for its detection. Because Zn(II) has a closed-shell d10 configuration and no convenient spectroscopic signature, fluorescence is a suitable method for monitoring Zn(II) in biological contexts. This Account summarizes work by our laboratory addressing the design, preparation, characterization, and use of small-molecule fluorescent sensors for imaging mobile Zn(II) in living cells and samples of brain tissue. These sensors provide “turn-on” or ratiometric Zn(II) detection in aqueous solution at neutral pH. By making alterations to the Zn(II)-binding unit and fluorophore platform, we have devised sensors with varied photophysical and metal-binding properties. We used several of these probes to image Zn(II) distribution, uptake, and mobilization in a variety of cell types, including neuronal cultures. Goals for the future include developing strategies for multi-color imaging, further defining the quenching and turn-on mechanisms of the sensors, and employing the probes to elucidate the functional significance of Zn(II) in neurobiology. PMID:18989940

Removing function model and experiments on ultrasonic polishing molding die

NASA Astrophysics Data System (ADS)

Huang, Qitai; Ni, Ying; Yu, Jingchi

2010-10-01

Low temperature glass molding technology is the main method on volume-producing high precision middle and small diameter optical cells in the future. While the accuracy of the molding die will effect the cell precision, so the high precision molding die development is one of the most important part of the low temperature glass molding technology. The molding die is manufactured from high rigid and crisp metal alloy, with the ultrasonic vibration character of high vibration frequency and concentrative energy distribution; abrasive particles will impact the rigid metal alloy surface with very high speed that will remove the material from the work piece. Ultrasonic can make the rigid metal alloy molding die controllable polishing and reduce the roughness and surface error. Different from other ultrasonic fabrication method, untouched ultrasonic polishing is applied on polish the molding die, that means the tool does not touch the work piece in the process of polishing. The abrasive particles vibrate around the balance position with high speed and frequency under the drive of ultrasonic vibration in the liquid medium and impact the workspace surface, the energy of abrasive particles come from ultrasonic vibration, while not from the direct hammer blow of the tool. So a nummular vibrator simple harmonic vibrates on an infinity plane surface is considered as a model of ultrasonic polishing working condition. According to Huygens theory the sound field distribution on a plane surface is analyzed and calculated, the tool removing function is also deduced from this distribution. Then the simple point ultrasonic polishing experiment is proceeded to certificate the theory validity.

Distributing Characteristics of Heavy Metal Elements in A Tributary of Zhedong River in Laowangzhai Gold Deposit, Yunnan (China): An Implication to Environmentology from Sediments

NASA Astrophysics Data System (ADS)

Yang, Shuran; Danĕk, Tomáš; Yang, Xiaofeng; Cheng, Xianfeng

2016-10-01

Five heavy metal contents from five sediments and seven sediment profiles in an upstream reach of Zhedong river in Laowangzhai gold deposit were investigated in this research, along with analysis of the horizontal distribution, the surface distribution, the vertical distribution and the interlayer distribution of five heavy metal contents: arsenic (As), mercury (Hg), copper (Cu), lead (Pb) and zinc (Zn). The potential ecological risk of five heavy metals was evaluated to help understanding pollution control of Laowangzhai deposit.

Experimental Study of Structure/Behavior Relationship for a Metallized Explosive

NASA Astrophysics Data System (ADS)

Bukovsky, Eric; Reeves, Robert; Gash, Alexander; Glumac, Nick

2017-06-01

Metal powders are commonly added to explosive formulations to modify the blast behavior. Although detonation velocity is typically reduced compared to the neat explosive, the metal provides other benefits. Aluminum is a common additive to increase the overall energy output and high-density metals can be useful for enhancing momentum transfer to a target. Typically, metal powder is homogeneously distributed throughout the material; in this study, controlled distributions of metal powder in explosive formulations were investigated. The powder structures were printed using powder bed printing and the porous structures were filled with explosives to create bulk explosive composites. In all cases, the overall ratio between metal and explosive was maintained, but the powder distribution was varied. Samples utilizing uniform distributions to represent typical materials, discrete pockets of metal powder, and controlled, graded powder distributions were created. Detonation experiments were performed to evaluate the influence of metal powder design on the output pressure/time and the overall impulse. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Bond-length distributions for ions bonded to oxygen: alkali and alkaline-earth metals.

PubMed

Gagné, Olivier Charles; Hawthorne, Frank Christopher

2016-08-01

Bond-length distributions have been examined for 55 configurations of alkali-metal ions and 29 configurations of alkaline-earth-metal ions bonded to oxygen, for 4859 coordination polyhedra and 38 594 bond distances (alkali metals), and for 3038 coordination polyhedra and 24 487 bond distances (alkaline-earth metals). Bond lengths generally show a positively skewed Gaussian distribution that originates from the variation in Born repulsion and Coulomb attraction as a function of interatomic distance. The skewness and kurtosis of these distributions generally decrease with increasing coordination number of the central cation, a result of decreasing Born repulsion with increasing coordination number. We confirm the following minimum coordination numbers: ([3])Li(+), ([3])Na(+), ([4])K(+), ([4])Rb(+), ([6])Cs(+), ([3])Be(2+), ([4])Mg(2+), ([6])Ca(2+), ([6])Sr(2+) and ([6])Ba(2+), but note that some reported examples are the result of extensive dynamic and/or positional short-range disorder and are not ordered arrangements. Some distributions of bond lengths are distinctly multi-modal. This is commonly due to the occurrence of large numbers of structure refinements of a particular structure type in which a particular cation is always present, leading to an over-representation of a specific range of bond lengths. Outliers in the distributions of mean bond lengths are often associated with anomalous values of atomic displacement of the constituent cations and/or anions. For a sample of ([6])Na(+), the ratio Ueq(Na)/Ueq(bonded anions) is partially correlated with 〈([6])Na(+)-O(2-)〉 (R(2) = 0.57), suggesting that the mean bond length is correlated with vibrational/displacement characteristics of the constituent ions for a fixed coordination number. Mean bond lengths also show a weak correlation with bond-length distortion from the mean value in general, although some coordination numbers show the widest variation in mean bond length for zero distortion, e.g. Li(+) in [4]- and [6]-coordination, Na(+) in [4]- and [6]-coordination. For alkali-metal and alkaline-earth-metal ions, there is a positive correlation between cation coordination number and the grand mean incident bond-valence sum at the central cation, the values varying from 0.84 v.u. for ([5])K(+) to 1.06 v.u. for ([8])Li(+), and from 1.76 v.u. for ([7])Ba(2+) to 2.10 v.u. for ([12])Sr(2+). Bond-valence arguments suggest coordination numbers higher than [12] for K(+), Rb(+), Cs(+) and Ba(2+).

Influence of sulfhydryl sites on metal binding by bacteria

NASA Astrophysics Data System (ADS)

Nell, Ryan M.; Fein, Jeremy B.

2017-02-01

The role of sulfhydryl sites within bacterial cell envelopes is still unknown, but the sites may control the fate and bioavailability of metals. Organic sulfhydryl compounds are important complexing ligands in aqueous systems and they can influence metal speciation in natural waters. Though representing only approximately 5-10% of the total available binding sites on bacterial surfaces, sulfhydryl sites exhibit high binding affinities for some metals. Due to the potential importance of bacterial sulfhydryl sites in natural systems, metal-bacterial sulfhydryl site binding constants must be determined in order to construct accurate models of the fate and distribution of metals in these systems. To date, only Cd-sulfhydryl binding has been quantified. In this study, the thermodynamic stabilities of Mn-, Co-, Ni-, Zn-, Sr- and Pb-sulfhydryl bacterial cell envelope complexes were determined for the bacterial species Shewanella oneidensis MR-1. Metal adsorption experiments were conducted as a function of both pH, ranging from 5.0 to 7.0, and metal loading, from 0.5 to 40.0 μmol/g (wet weight) bacteria, in batch experiments in order to determine if metal-sulfhydryl binding occurs. Initially, the data were used to calculate the value of the stability constants for the important metal-sulfhydryl bacterial complexes for each metal-loading condition studied, assuming a single binding reaction for the dominant metal-binding site type under the pH conditions of the experiments. For most of the metals that we studied, these calculated stability constant values increased significantly with decreasing metal loading, strongly suggesting that our initial assumption was not valid and that more than one type of binding occurs at the assumed binding site. We then modeled each dataset with two distinct site types with identical acidity constants: one site with a high metal-site stability constant value, which we take to represent metal-sulfhydryl binding and which dominates under low metal loading conditions, and another more abundant site that we term non-sulfhydryl sites that becomes important at high metal loadings. The resulting calculated stability constants do not vary significantly as a function of metal loading and yield reasonable fits to the observed adsorption behaviors as a function of both pH and metal loading. We use the results to calculate the speciation of metals bound by the bacterial envelope in realistic bacteria-bearing, heavy metal contaminated systems in order to demonstrate the potential importance of metal-sulfhydryl binding in the budget of bacterially-adsorbed metals under low metal-loading conditions.

AB INITIO Molecular Dynamics Simulations on Local Structure and Electronic Properties in Liquid MgxBi1-x Alloys

NASA Astrophysics Data System (ADS)

Hao, Qing-Hai; You, Yu-Wei; Kong, Xiang-Shan; Liu, C. S.

2013-03-01

The microscopic structure and dynamics of liquid MgxBi1-x(x = 0.5, 0.6, 0.7) alloys together with pure liquid Mg and Bi metals were investigated by means of ab initio molecular dynamics simulations. We present results of structure properties including pair correlation function, structural factor, bond-angle distribution function and bond order parameter, and their composition dependence. The dynamical and electronic properties have also been studied. The structure factor and pair correlation function are in agreement with the available experimental data. The calculated bond-angle distribution function and bond order parameter suggest that the stoichiometric composition Mg3Bi2 exhibits a different local structure order compared with other concentrations, which help us understand the appearance of the minimum electronic conductivity at this composition observed in previous experiments.

Bridging Zirconia Nodes within a Metal–Organic Framework via Catalytic Ni-Hydroxo Clusters to Form Heterobimetallic Nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Platero-Prats, Ana E.; League, Aaron B.; Bernales, Varinia

Metal-organic frameworks (MOFs), with their well-ordered pore networks and tunable surface chemistries, offer a versatile platform for preparing well-defined nanostructures wherein functionality such as catalysis can be incorporated. Notably, atomic layer deposition (ALD) in MOFs has recently emerged as a versatile approach to functionalize MOF surfaces with a wide variety of catalytic metal-oxo species. Understanding the structure of newly deposited species and how they are tethered within the MOF is critical to understanding how these components couple to govern the active material properties. By combining local and long-range structure probes, including X-ray absorption spectroscopy, pair distribution function analysis and differencemore » envelope density analysis, with electron microscopy imag-ing and computational modeling, we resolve the precise atomic structure of metal-oxo species deposited in the MOF NU-1000 through ALD. These analyses demonstrate that deposition of NiO xH y clusters occurs selectively within the smallest pores of NU-1000, between the zirconia nodes, serving to connect these nodes along the c-direction to yield hetero-bimetallic metal-oxo nanowires. Finally, this bridging motif perturbs the NU-1000 framework structure, drawing the zirconia nodes closer together, and also underlies the sintering-resistance of these clusters during the hydrogenation of light olefins.« less

Bridging Zirconia Nodes within a Metal–Organic Framework via Catalytic Ni-Hydroxo Clusters to Form Heterobimetallic Nanowires

DOE PAGES

Platero-Prats, Ana E.; League, Aaron B.; Bernales, Varinia; ...

2017-07-11

Metal-organic frameworks (MOFs), with their well-ordered pore networks and tunable surface chemistries, offer a versatile platform for preparing well-defined nanostructures wherein functionality such as catalysis can be incorporated. Notably, atomic layer deposition (ALD) in MOFs has recently emerged as a versatile approach to functionalize MOF surfaces with a wide variety of catalytic metal-oxo species. Understanding the structure of newly deposited species and how they are tethered within the MOF is critical to understanding how these components couple to govern the active material properties. By combining local and long-range structure probes, including X-ray absorption spectroscopy, pair distribution function analysis and differencemore » envelope density analysis, with electron microscopy imag-ing and computational modeling, we resolve the precise atomic structure of metal-oxo species deposited in the MOF NU-1000 through ALD. These analyses demonstrate that deposition of NiO xH y clusters occurs selectively within the smallest pores of NU-1000, between the zirconia nodes, serving to connect these nodes along the c-direction to yield hetero-bimetallic metal-oxo nanowires. Finally, this bridging motif perturbs the NU-1000 framework structure, drawing the zirconia nodes closer together, and also underlies the sintering-resistance of these clusters during the hydrogenation of light olefins.« less

Selective Separation and Determination of Heavy Metals (Cd, Pb, Cr) Speciation Forms from Hortic Antrosols

NASA Astrophysics Data System (ADS)

Bulgariu, D.; Bulgariu, L.

2009-04-01

The speciation, inter-phases distribution and biodisponibility of heavy metals in soils represent one of main problem of environmental geochemistry and agro-chemistry. This problem is very important in case of hortic antrosols (soils from glasshouses) for the elimination of agricultural products (fruits, vegetables) contamination with heavy metals. In soils from glass houses, the speciation and inter-phases distribution processes of heavy metals have a particular dynamic, different in comparison with those from non-protected soils. The predominant distribution forms of heavy metals in such soils types are: complexes with low mass organic molecules, organic-mineral complexes, complexes with inorganic ligands (hydroxide-complexes, carbonate-complexes, sulphate-complexes, etc.) and basic salts. All of these have high stabilities in conditions of soils from glass houses, and in consequence, the separation and determination of speciation forms (which is directly connected with biodisponibility of heavy metals) by usual methods id very difficult and has a high uncertain degree. In this study is presented an original method for the selective separation and differentiation of speciation forms of heavy metals from glass houses soils, which is based by the combination of solid-liquid sequential extraction (SPE) with the extraction in aqueous polymer-inorganic salt two-phase systems (ABS). The soil samples used for this study have been sampled from three different locations (glass houses from Iasi, Barlad and Bacau - Romania) where the vegetables cultivation have bee performed by three different technologies. In this way was estimated the applicability and the analytical limits of method proposed by as, in function of the chemical-mineralogical and physical-chemical characteristics of soils. As heavy metals have been studied cadmium, lead and chromium, all being known for their high toxicity. The procedure used for the selective separation and differentiation of speciation forms of heavy metals from glass houses soils has two main steps: (i) non-destructive separation of chemical-mineralogical associations and aggregates from soils samples - for this the separation method with heavy liquids (bromophorme) and isodynamic magnetic method have been used; (ii) sequential extraction of heavy metals from soil fractions separated in the first step, by using combined SPE-ABS procedure. For the preparation of combined extraction systems was used polyethylene glycol (with different molecular mass: 2000, 4000 and 8000). As phase-forming inorganic salts and as selective extracting agents we have used different usual inorganic reagents. The type and concentration of phase-forming salts have been selected in function of, both nature of extracted heavy metals and chemical-mineralogical characteristics of soil samples. The experimental parameters investigated in this study are: molecular mass of polyethylene glycol and the concentration of polymeric solutions, nature and concentration of phase-forming salts, nature and concentration of extracting agents, pH in extraction system phase, type of extracted heavy metals, type of speciation forms of heavy metals and their concentrations. All these factors can influence significantly the efficiency and the selectivity of separation process. The experimental results have indicate that the combined SPE-ABS extraction systems have better separation efficiency, in comparison with traditional SPE systems and ca realized a accurate discrimination between speciation forms of heavy metals from soils. Under these conditions, the estimation of inter-phases distribution and biodisponibility of heavy metals has a high precision. On the other hand, when the combined SPE-ABS systems are used, the concomitant extraction of the elements from the same geochemical association with studied heavy metals (inevitable phenomena in case of separation by SPE procedures) is significant diminished. This increases the separation selectivity and facilitated the more accurate determination of speciation forms concentration. By adequate selection of extraction conditions can be realized the selective separation of organic-mineral complexes, which will permit to perform detailed studies about the structure and chemical composition of these. Acknowledgments The authors would like to acknowledge the financial support from Romanian Ministry of Education and Research (Project PNCDI 2-D5 no. 51045/07).

Propiedades peculiares de los sistemas de cúmulos globulares y su relación con la formación de sus galaxias anfitrionas

NASA Astrophysics Data System (ADS)

Bassino, L. P.

2017-10-01

Globular clusters (GCs) are ancient stellar systems, among the oldest ones in the Universe. As a consequence, they carry information related to the formation and evolution of their host-galaxies. The study of GC systems associated with early-type galaxies has shown that most of them have similar characteristics. Among them, the most noticeable is the existence of two GC subpopulations (metal-poor and metal-rich, respectively), that differ clearly in their colour distribution, spatial distribution, and kinematics. However, GC systems whose properties differ from the known ``classic'' ones, have been detected in the last years. For instance, the case of GC systems that present more than two subpopulations in their colour distribution or anomalies in the luminosity function. The peculiar properties of the GC systems, together with characteristics of the host-galaxy like the presence of type Ia SNe, the surface-brightness distribution, or the colour map, may be related to bursts of star formation and let us rebuild the host-galaxy history.

Cation Ordering in Li[NixMnxCo(1-2x)]O2-Layered Cathode Materials: A Nuclear Magnetic Resonance (NMR), Pair Distribution Function, X-ray Absorption Spectroscopy, and Electrochemical Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeng,D.; Cabana, J.; Breger, J.

2007-01-01

Several members of the compositional series Li[NixMnxCo(1-2x)]O2 (0.01 = x = 1/3) were synthesized and characterized. X-ray diffraction results confirm the presence of the layered a-NaFeO2-type structure, while X-ray absorption near-edge spectroscopy experiments verify the presence of Ni2+, Mn4+, and Co3+. Their local environment and short-range ordering were investigated by using a combination of 6Li magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy and neutron pair distribution function (PDF) analysis, associated with reverse Monte Carlo (RMC) calculations. The 6Li MAS NMR spectra of compounds with low Ni/Mn contents (x = 0.10) show several well-resolved resonances, which start to mergemore » when the amount of Ni and Mn increases, finally forming a broad resonance at high Ni/Mn contents. Analysis of the 6Li MAS NMR 6Li[Ni0.02Mn0.02Co0.96]O2 spectrum, is consistent with the formation of Ni2+ and Mn4+ clusters within the transition-metal layers, even at these low-doping levels. The oxidation state of Ni in this high Co content sample strongly depends upon the Li/transition metal ratio of the starting materials. Neutron PDF analysis of the highest Ni/Mn content sample Li[Ni1/3Mn1/3Co1/3]O2 shows a tendency for Ni cations to be close to Mn cations in the first coordination shell; however, the Co3+ ions are randomly distributed. Analysis of the intensity of the 'LiCoO2' resonance, arising from Li surrounded by Co3+ in its first two cation coordination shells, for the whole series provides further evidence for a nonrandom distribution of the transition-metal cations. The presence of the insulator-to-metal transition seen in the electrochemical profiles of these materials upon charging correlates strongly with the concentration of the 'LiCoO2' resonance.« less

Size-segregated emissions and metal content of vehicle-emitted particles as a function of mileage: Implications to population exposure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Golokhvast, Kirill S.; Chernyshev, Valery V.; Chaika, Vladimir V.

2015-10-15

The study aims at investigating the characteristics (size distribution, active surface and metal content) of particles emitted by cars as a function of mileage using a novel methodology for characterizing particulate emissions captured by Exhaust Gas Suspension (EGS). EGS was obtained by passing the exhaust gases through a container of deionized water. EGS analysis was performed using laser granulometry, electron scanning microscopy, and high resolution mass spectrometry. Implications of the differences in key features of the emitted particles on population exposure were investigated using numerical simulation for estimating size-segregated PM deposition across human respiratory tract (HRT). It was found thatmore » vehicle mileage, age and the respective emissions class have almost no effect on the size distribution of the exhaust gas particulate released into the environment; about half of the examined vehicles with low mileage were found to release particles of aerodynamic diameter above 10 μm. The exhaust gas particulate detected in the EGS of all cars can be classified into three major size classes: (1) 0.1–5 µm – soot and ash particles, metals (Au, Pt, Pd, Ir); (2) 10–30 µm – metal (Cr, Fe, Cu, Zr, Ni) and ash particles; (3) 400–1,000 µm – metal (Fe, Cr, Pb) and ash particles. Newer vehicles with low mileage are substantial sources of soot and metal particles with median diameter of 200 nm with a higher surface area (up to 89,871.16 cm{sup 2}/cm{sup 3}). These tend to deposit in the lower part of the human respiratory tract. - Highlights: • Car mileage has virtually no effect on the size of the solid particles released. • Newer diesel vehicles emit particles of lower aerodynamic diameter. • Particle active surface emitted by newer vehicles is on average 3 times higher. • Real-life emissions were translated into actual internal PM exposure.« less

The metallicity of the intracluster medium over cosmic time: further evidence for early enrichment

DOE PAGES

Mantz, Adam B.; Allen, Steven W.; Morris, R. Glenn; ...

2017-08-26

Here, we use Chandra X-ray data to measure the metallicity of the intracluster medium (ICM) in 245 massive galaxy clusters selected from X-ray and Sunyaev–Zel'dovich (SZ) effect surveys, spanning redshifts 0 < z < 1.2. Metallicities were measured in three different radial ranges, spanning cluster cores through their outskirts. We explore trends in these measurements as a function of cluster redshift, temperature and surface brightness ‘peakiness’ (a proxy for gas cooling efficiency in cluster centres). The data at large radii (0.5–1 r500) are consistent with a constant metallicity, while at intermediate radii (0.1–0.5 r500) we see a late-time increase inmore » enrichment, consistent with the expected production and mixing of metals in cluster cores. In cluster centres, there are strong trends of metallicity with temperature and peakiness, reflecting enhanced metal production in the lowest entropy gas. Within the cool-core/sharply peaked cluster population, there is a large intrinsic scatter in central metallicity and no overall evolution, indicating significant astrophysical variations in the efficiency of enrichment. The central metallicity in clusters with flat surface brightness profiles is lower, with a smaller intrinsic scatter, but increases towards lower redshifts. Our results are consistent with other recent measurements of ICM metallicity as a function of redshift. They reinforce the picture implied by observations of uniform metal distributions in the outskirts of nearby clusters, in which most of the enrichment of the ICM takes place before cluster formation, with significant later enrichment taking place only in cluster centres, as the stellar populations of the central galaxies evolve.« less

The impact of the Fermi-Dirac distribution on charge injection at metal/organic interfaces.

PubMed

Wang, Z B; Helander, M G; Greiner, M T; Lu, Z H

2010-05-07

The Fermi level has historically been assumed to be the only energy-level from which carriers are injected at metal/semiconductor interfaces. In traditional semiconductor device physics, this approximation is reasonable as the thermal distribution of delocalized states in the semiconductor tends to dominate device characteristics. However, in the case of organic semiconductors the weak intermolecular interactions results in highly localized electronic states, such that the thermal distribution of carriers in the metal may also influence device characteristics. In this work we demonstrate that the Fermi-Dirac distribution of carriers in the metal has a much more significant impact on charge injection at metal/organic interfaces than has previously been assumed. An injection model which includes the effect of the Fermi-Dirac electron distribution was proposed. This model has been tested against experimental data and was found to provide a better physical description of charge injection. This finding indicates that the thermal distribution of electronic states in the metal should, in general, be considered in the study of metal/organic interfaces.

Electron-mediated relaxation following ultrafast pumping of strongly correlated materials: model evidence of a correlation-tuned crossover between thermal and nonthermal states.

PubMed

Moritz, B; Kemper, A F; Sentef, M; Devereaux, T P; Freericks, J K

2013-08-16

We examine electron-electron mediated relaxation following ultrafast electric field pump excitation of the fermionic degrees of freedom in the Falicov-Kimball model for correlated electrons. The results reveal a dichotomy in the temporal evolution of the system as one tunes through the Mott metal-to-insulator transition: in the metallic regime relaxation can be characterized by evolution toward a steady state well described by Fermi-Dirac statistics with an increased effective temperature; however, in the insulating regime this quasithermal paradigm breaks down with relaxation toward a nonthermal state with a complicated electronic distribution as a function of momentum. We characterize the behavior by studying changes in the energy, photoemission response, and electronic distribution as functions of time. This relaxation may be observable qualitatively on short enough time scales that the electrons behave like an isolated system not in contact with additional degrees of freedom which would act as a thermal bath, especially when using strong driving fields and studying materials whose physics may manifest the effects of correlations.

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

NASA Astrophysics Data System (ADS)

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

2010-10-01

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

Determination of hot carrier energy distributions from inversion of ultrafast pump-probe reflectivity measurements.

PubMed

Heilpern, Tal; Manjare, Manoj; Govorov, Alexander O; Wiederrecht, Gary P; Gray, Stephen K; Harutyunyan, Hayk

2018-05-10

Developing a fundamental understanding of ultrafast non-thermal processes in metallic nanosystems will lead to applications in photodetection, photochemistry and photonic circuitry. Typically, non-thermal and thermal carrier populations in plasmonic systems are inferred either by making assumptions about the functional form of the initial energy distribution or using indirect sensors like localized plasmon frequency shifts. Here we directly determine non-thermal and thermal distributions and dynamics in thin films by applying a double inversion procedure to optical pump-probe data that relates the reflectivity changes around Fermi energy to the changes in the dielectric function and in the single-electron energy band occupancies. When applied to normal incidence measurements our method uncovers the ultrafast excitation of a non-Fermi-Dirac distribution and its subsequent thermalization dynamics. Furthermore, when applied to the Kretschmann configuration, we show that the excitation of propagating plasmons leads to a broader energy distribution of electrons due to the enhanced Landau damping.

Moving Iron through ferritin protein nanocages depends on residues throughout each four α-helix bundle subunit.

PubMed

Haldar, Suranjana; Bevers, Loes E; Tosha, Takehiko; Theil, Elizabeth C

2011-07-22

Eukaryotic H ferritins move iron through protein cages to form biologically required, iron mineral concentrates. The biominerals are synthesized during protein-based Fe²⁺/O₂ oxidoreduction and formation of [Fe³⁺O](n) multimers within the protein cage, en route to the cavity, at sites distributed over ~50 Å. Recent NMR and Co²⁺-protein x-ray diffraction (XRD) studies identified the entire iron path and new metal-protein interactions: (i) lines of metal ions in 8 Fe²⁺ ion entry channels with three-way metal distribution points at channel exits and (ii) interior Fe³⁺O nucleation channels. To obtain functional information on the newly identified metal-protein interactions, we analyzed effects of amino acid substitution on formation of the earliest catalytic intermediate (diferric peroxo-A(650 nm)) and on mineral growth (Fe³⁺O-A(350 nm)), in A26S, V42G, D127A, E130A, and T149C. The results show that all of the residues influenced catalysis significantly (p < 0.01), with effects on four functions: (i) Fe²⁺ access/selectivity to the active sites (Glu¹³⁰), (ii) distribution of Fe²⁺ to each of the three active sites near each ion channel (Asp¹²⁷), (iii) product (diferric oxo) release into the Fe³⁺O nucleation channels (Ala²⁶), and (iv) [Fe³⁺O](n) transit through subunits (Val⁴², Thr¹⁴⁹). Synthesis of ferritin biominerals depends on residues along the entire length of H subunits from Fe²⁺ substrate entry at 3-fold cage axes at one subunit end through active sites and nucleation channels, at the other subunit end, inside the cage at 4-fold cage axes. Ferritin subunit-subunit geometry contributes to mineral order and explains the physiological impact of ferritin H and L subunits.

Heavy metals in the finest size fractions of road-deposited sediments.

PubMed

Lanzerstorfer, Christof

2018-08-01

The concentration of heavy metals in urban road-deposited sediments (RDS) can be used as an indicator for environmental pollution. Thus, their occurrence has been studied in whole road dust samples as well as in size fractions obtained by sieving. Because of the limitations of size separation by sieving little information is available about heavy metal concentrations in the road dust size fractions <20 μm. In this study air classification was applied for separation of dust size fractions smaller than 20 μm from RDS collected at different times during the year. The results showed only small seasonal variations in the heavy metals concentrations and size distribution. According to the Geoaccumulation Index the pollution of the road dust samples deceased in the following order: Sb » As > Cu ≈ Zn > Cr > Cd ≈ Pb ≈ Mn > Ni > Co ≈ V. For all heavy metals the concentration was higher in the fine size fractions compared to the coarse size fractions, while the concentration of Sr was size-independent. The enrichment of the heavy metals in the finest size fraction compared to the whole RDS <200 μm was up to 4.5-fold. The size dependence of the concentration decreased in the following order: Co ≈ Cd > Sb > (Cu) ≈ Zn ≈ Pb > As ≈ V » Mn. The approximation of the size dependence of the concentration as a function of the particle size by power functions worked very well. The correlation between particle size and concentration was high for all heavy metals. The increased heavy metals concentrations in the finest size fractions should be considered in the evaluation of the contribution of road dust re-suspension to the heavy metal contamination of atmospheric dust. Thereby, power functions can be used to describe the size dependence of the concentration. Copyright © 2018 Elsevier Ltd. All rights reserved.

High-resolution insight into the competitive adsorption of heavy metals on natural sediment by site energy distribution.

PubMed

Huang, Limin; Jin, Qiang; Tandon, Puja; Li, Aimin; Shan, Aidang; Du, Jiajie

2018-04-01

Investigating competitive adsorption on river/lake sediments is valuable for understanding the fate and transport of heavy metals. Most studies have studied the adsorption isotherms of competitive heavy metals, which mainly comparing the adsorption information on the same concentration. However, intrinsically, the concentration of each heavy metal on competitive adsorption sites is different, while the adsorption energy is identical. Thus, this paper introduced the site energy distribution theory to increase insight into the competitive adsorption of heavy metals (Cu, Cd and Zn). The site energy distributions of each metal with and without other coexisting heavy metals were obtained. It illustrated that site energy distributions provide much more information than adsorption isotherms through screening of the full energy range. The results showed the superior heavy metal in each site energy area and the influence of competitive metals on the site energy distribution of target heavy metal. Site energy distributions can further help in determining the competitive sites and ratios of coexisting metals. In particular, in the high-energy area, which has great environmental significance, the ratios of heavy metals in the competitive adsorption sites obtained for various competitive systems were as follows: slightly more than 3:1 (Cu-Cd), slightly less than 3:1 (Cu-Zn), slightly more than 1:1 (Cd-Zn), and nearly 7:2:2 (Cu-Cd-Zn). The results from this study are helpful to deeply understand competitive adsorption of heavy metals (Cu, Cd, Zn) on sediment. Therefore, this study was effective in presenting a general pattern for future reference in competitive adsorption studies on sediments. Copyright © 2018 Elsevier Ltd. All rights reserved.

Methodology for Selection of Optimum Light Stringers in Functionally Graded Panels Designed for Prescribed Fundamental Frequency or Buckling Load

NASA Astrophysics Data System (ADS)

Birman, Victor; Byrd, Larry W.

2008-02-01

The interest to functionally graded materials (FGM) and structures has been generated by their potential advantages, including enhanced thermal properties, reduced or eliminated delamination concerns, a potential for an improved stress distribution, etc. Various aspects of the processing, design, micromechanics and analysis of FGM have been outlined in a number of reviews, mentioned here are [1-3]. In particular, functionally graded panels may be advantageous compared to their conventional counterparts in numerous applications. However, a typical FGM panel is asymmetric about its middle plane resulting in lower buckling loads and fundamental frequencies as well as higher stresses and deformations than the counterpart with a symmetric distribution of the same constituents. The reduced stiffness of FGM panels can be compensated by reinforcing them with stringers. For example, metallic stringers at the metal-rich surface of a FGM ceramic-metal panel may provide an efficient solution enabling a designer to increase both buckling loads as well as natural frequencies. The list of studies on optimization of FGM is extensive as could be anticipated for such tailored structural elements. For example, recent papers by Batra and his collaborators present optimization of the natural frequencies of a FGM plate through material grading [4] and through the graded fiber orientation [5]. The present paper is concerned with an optimum design of the system of stringers for a specified FGM panel. The task is to design the lightest system of stringers enabling the panel to achieve prescribed buckling loads or fundamental frequency.

The observed distribution of spectroscopic binaries from the Anglo-Australian Planet Search

NASA Astrophysics Data System (ADS)

Jenkins, J. S.; Díaz, M.; Jones, H. R. A.; Butler, R. P.; Tinney, C. G.; O'Toole, S. J.; Carter, B. D.; Wittenmyer, R. A.; Pinfield, D. J.

2015-10-01

We report the detection of sixteen binary systems from the Anglo-Australian Planet Search. Solutions to the radial velocity data indicate that the stars have companions orbiting with a wide range of masses, eccentricities and periods. Three of the systems potentially contain brown-dwarf companions while another two have eccentricities that place them in the extreme upper tail of the eccentricity distribution for binaries with periods less than 1000 d. For periods up to 12 years, the distribution of our stellar companion masses is fairly flat, mirroring that seen in other radial velocity surveys, and contrasts sharply with the current distribution of candidate planetary masses, which rises strongly below 10 MJ. When looking at a larger sample of binaries that have FGK star primaries as a function of the primary star metallicity, we find that the distribution maintains a binary fraction of ˜43 ± 4 per cent between -1.0 and +0.6 dex in metallicity. This is in stark contrast to the giant exoplanet distribution. This result is in good agreement with binary formation models that invoke fragmentation of a collapsing giant molecular cloud, suggesting that this is the dominant formation mechanism for close binaries and not fragmentation of the primary star's remnant protoplanetary disc.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Domengie, F., E-mail: florian.domengie@st.com; Morin, P.; Bauza, D.

We propose a model for dark current induced by metallic contamination in a CMOS image sensor. Based on Shockley-Read-Hall kinetics, the expression of dark current proposed accounts for the electric field enhanced emission factor due to the Poole-Frenkel barrier lowering and phonon-assisted tunneling mechanisms. To that aim, we considered the distribution of the electric field magnitude and metal atoms in the depth of the pixel. Poisson statistics were used to estimate the random distribution of metal atoms in each pixel for a given contamination dose. Then, we performed a Monte-Carlo-based simulation for each pixel to set the number of metalmore » atoms the pixel contained and the enhancement factor each atom underwent, and obtained a histogram of the number of pixels versus dark current for the full sensor. Excellent agreement with the dark current histogram measured on an ion-implanted gold-contaminated imager has been achieved, in particular, for the description of the distribution tails due to the pixel regions in which the contaminant atoms undergo a large electric field. The agreement remains very good when increasing the temperature by 15 °C. We demonstrated that the amplification of the dark current generated for the typical electric fields encountered in the CMOS image sensors, which depends on the nature of the metal contaminant, may become very large at high electric field. The electron and hole emissions and the resulting enhancement factor are described as a function of the trap characteristics, electric field, and temperature.« less

Star formation history of the Galactic bulge from deep HST imaging of low reddening windows

NASA Astrophysics Data System (ADS)

Bernard, Edouard J.; Schultheis, Mathias; Di Matteo, Paola; Hill, Vanessa; Haywood, Misha; Calamida, Annalisa

2018-07-01

Despite the huge amount of photometric and spectroscopic efforts targeting the Galactic bulge over the past few years, its age distribution remains controversial owing to both the complexity of determining the age of individual stars and the difficult observing conditions. Taking advantage of the recent release of very deep, proper-motion-cleaned colour-magnitude diagrams (CMDs) of four low reddening windows obtained with the Hubble Space Telescope (HST), we used the CMD-fitting technique to calculate the star formation history (SFH) of the bulge at -2° > b > -4° along the minor axis. We find that over 80 per cent of the stars formed before 8 Gyr ago, but that a significant fraction of the super-solar metallicity stars are younger than this age. Considering only the stars that are within reach of the current generation of spectrographs (i.e. V≲ 21), we find that 10 per cent of the bulge stars are younger than 5 Gyr, while this fraction rises to 20-25 per cent in the metal-rich peak. The age-metallicity relation is well parametrized by a linear fit, implying an enrichment rate of dZ/dt ˜ 0.005 Gyr-1. Our metallicity distribution function accurately reproduces that observed by several spectroscopic surveys of Baade's window, with the bulk of stars having metal content in the range [Fe/H]˜-0.7 to ˜0.6, along with a sparse tail to much lower metallicities.

Star formation history of the Galactic bulge from deep HST imaging of low reddening windows

NASA Astrophysics Data System (ADS)

Bernard, Edouard J.; Schultheis, Mathias; Di Matteo, Paola; Hill, Vanessa; Haywood, Misha; Calamida, Annalisa

2018-04-01

Despite the huge amount of photometric and spectroscopic efforts targetting the Galactic bulge over the past few years, its age distribution remains controversial owing to both the complexity of determining the age of individual stars and the difficult observing conditions. Taking advantage of the recent release of very deep, proper-motion-cleaned colour-magnitude diagrams (CMDs) of four low reddening windows obtained with the Hubble Space Telescope (HST), we used the CMD-fitting technique to calculate the star formation history (SFH) of the bulge at -2° > b > -4° along the minor axis. We find that over 80 percent of the stars formed before 8 Gyr ago, but that a significant fraction of the super-solar metallicity stars are younger than this age. Considering only the stars that are within reach of the current generation of spectrographs (i.e. V≲ 21), we find that 10 percent of the bulge stars are younger than 5 Gyr, while this fraction rises to 20-25 percent in the metal-rich peak. The age-metallicity relation is well parametrized by a linear fit implying an enrichment rate of dZ/dt ˜ 0.005 Gyr-1. Our metallicity distribution function accurately reproduces that observed by several spectroscopic surveys of Baade's window, with the bulk of stars having metal-content in the range [Fe/H]˜-0.7 to ˜0.6, along with a sparse tail to much lower metallicities.

NOVEL BINDERS AND METHODS FOR AGGLOMERATION OF ORE

DOE Office of Scientific and Technical Information (OSTI.GOV)

S.K. Kawatra; T.C. Eisele; J.A. Gurtler

2004-04-01

Many metal extraction operations, such as leaching of copper, leaching of precious metals, and reduction of metal oxides to metal in high-temperature furnaces, require agglomeration of ore to ensure that reactive liquids or gases are evenly distributed throughout the ore being processed. Agglomeration of ore into coarse, porous masses achieves this even distribution of fluids by preventing fine particles from migrating and clogging the spaces and channels between the larger ore particles. Binders are critically necessary to produce agglomerates that will not break down during processing. However, for many important metal extraction processes there are no binders known that willmore » work satisfactorily. Primary examples of this are copper heap leaching, where there are no binders that will work in the acidic environment encountered in this process, and advanced ironmaking processes, where binders must function satisfactorily over an extraordinarily large range of temperatures (from room temperature up to over 1200 C). As a result, operators of many facilities see a large loss of process efficiency due to their inability to take advantage of agglomeration. The large quantities of ore that must be handled in metal extraction processes also means that the binder must be inexpensive and useful at low dosages to be economical. The acid-resistant binders and agglomeration procedures developed in this project will also be adapted for use in improving the energy efficiency and performance of a broad range of mineral agglomeration applications, particularly heap leaching and advanced primary ironmaking.« less

A new analysis of charge transfer and polarization for ligand-metal bonding - Model studies of Al4CO and Al4NH3

NASA Technical Reports Server (NTRS)

Bagus, P. S.; Hermann, K.; Bauschlicher, C. W., Jr.

1984-01-01

The nature of the bonding of CO and NH3 ligands to Al is analyzed, and the intra-unit charge polarization and inter-unit donation for the interaction of ligands with metals are studied. The consequences of metal-to-ligand and ligand-to-metal charge transfer are separately considered by performing a constrained space orbital variation (CSOV) with the electrons of the metal member of the complex in the field of frozen ligand. The electrons of the metal atoms are then frozen in the relaxed distribution given by the CSOV SCF wave function and the ligand electrons are allowed to relax. Quantitative measures of the importance of inter-unit charge transfers and intra-unit polarization are obtained using results of SCF studies of Al4CO and Al4NH3 clusters chosen to simulate the adsorption of the ligands at an on-top side of the Al(111) surface. The electrostatic attraction of the effective dipole moments of the metal and ligand units makes an important contribution to the bond.

Investigation of sorption/desorption equilibria of heavy metal ions on/from quartz using rhamnolipid biosurfactant.

PubMed

Aşçi, Yeliz; Nurbaş, Macid; Sağ Açikel, Yeşim

2010-01-01

In the present study, the sorption characteristics of Cd(II) and Zn(II) ions on quartz, a representative soil-component, and the desorption of these metal ions from quartz using rhamnolipid biosurfactant were investigated. In the first part of the studies, the effects of initial metal ion concentration and pH on sorption of Cd(II) and Zn(II) ions by a fixed amount of quartz (1.5g) were studied in laboratory batch mode. The equilibrium sorption capacity for Cd(II) and Zn(II) ions was measured and the best correlation between experimental and model predicted equilibrium uptake was obtained using the Freundlich model. Although investigations on the desorption of heavy metal ions from the main soil-components are crucial to better understand the mobility and bioavailability of metals in the environment, studies on the description of desorption equilibrium were performed rarely. In the second part, the desorption of Cd(II) and Zn(II) from quartz using rhamnolipid biosurfactant was investigated as a function of pH, rhamnolipid concentration, and the amounts of sorbed Cd(II) and Zn(II) ions by quartz. The Freundlich model was also well fitted to the obtained desorption isotherms. Several indexes were calculated based on the differences of the quantity of Cd-Zn sorbed and desorbed. A desorption hysteresis (irreversibility) index based on the Freundlich exponent, concentration-dependent metal distribution coefficients, and the irreversibility index based on the metal distribution coefficient were used to quantify hysteretic behavior observed in the systems. 2009 Elsevier Ltd. All rights reserved.

Charge-density study on layered oxyarsenides (LaO)MAs (M = Mn, Fe, Ni, Zn)

NASA Astrophysics Data System (ADS)

Takase, Kouichi; Hiramoto, Shozo; Fukushima, Tetsuya; Sato, Kazunori; Moriyoshi, Chikako; Kuroiwa, Yoshihiro

2017-12-01

Using synchrotron X-ray powder diffraction, we investigate the charge-density distributions of the layered oxypnictides (LaO)MnAs, (LaO)FeAs, (LaO)NiAs, and (LaO)ZnAs, which are an antiferromagnetic semiconductor, a parent material of an iron-based superconductor, a low-temperature superconductor, and a non-magnetic semiconductor, respectively. For the metallic samples, clear charge densities are observed in both the transition-metal pnictide layers and the rare-earth-oxide layers. However, in the semiconducting samples, there is no finite charge density between the transition-metal element and As. These differences in charge density reflect differences in physical properties. First-principles calculations using density functional theory reproduce the experimental results reasonably well.

Elemental Metals or Oxides Distributed on a Carbon Substrate or Self-Supported and the Manufacturing Process Using Graphite Oxide as Template

NASA Technical Reports Server (NTRS)

Hung, Ching-Chen (Inventor)

1999-01-01

A process for providing elemental metals or metal oxides distributed on a carbon substrate or self-supported utilizing graphite oxide as a percursor. The graphite oxide is exposed to one or more metal chlorides to form an intermediary product comprising carbon, metal, chloride, and oxygen. This intermediary product can be further processed by direct exposure to carbonate solutions to form a second intermediary product comprising carbon, metal carbonate, and oxygen. Either intermediary product may be further processed: a) in air to produce metal oxide; b) in an inert environment to produce metal oxide on carbon substrate; c) in a reducing environment to produce elemental metal distributed on carbon substrate. The product generally takes the shape of the carbon precursor.

Elemental Metals or Oxides Distributed on a Carbon Substrate or Self-Supported and the Manufacturing Process Using Graphite Oxide as Template

NASA Technical Reports Server (NTRS)

Hung, Ching-Cheh (Inventor)

1999-01-01

A process for providing elemental metals or metal oxides distributed on a carbon substrate or self-supported utilizing graphite oxide as a precursor. The graphite oxide is exposed to one or more metal chlorides to form an intermediary product comprising carbon, metal, chloride, and oxygen. This intermediary product can be further processed by direct exposure to carbonate-solutions to form a second intermediary product comprising carbon, metal carbonate, and oxygen. Either intermediary product may be further processed: a) in air to produce metal oxide; b) in an inert environment to produce metal oxide on carbon substrate; c) in a reducing environment to produce elemental metal distributed on carbon substrate. The product generally takes the shape of the carbon precursor.

Preparation of uniform nanoparticles of ultra-high purity metal oxides, mixed metal oxides, metals, and metal alloys

DOEpatents

Woodfield, Brian F.; Liu, Shengfeng; Boerio-Goates, Juliana; Liu, Qingyuan; Smith, Stacey Janel

2012-07-03

In preferred embodiments, metal nanoparticles, mixed-metal (alloy) nanoparticles, metal oxide nanoparticles and mixed-metal oxide nanoparticles are provided. According to embodiments, the nanoparticles may possess narrow size distributions and high purities. In certain preferred embodiments, methods of preparing metal nanoparticles, mixed-metal nanoparticles, metal oxide nanoparticles and mixed-metal nanoparticles are provided. These methods may provide tight control of particle size, size distribution, and oxidation state. Other preferred embodiments relate to a precursor material that may be used to form nanoparticles. In addition, products prepared from such nanoparticles are disclosed.

Patterns of metal distribution in hypersaline microbialites during early diagenesis: Implications for the fossil record.

PubMed

Sforna, M C; Daye, M; Philippot, P; Somogyi, A; van Zuilen, M A; Medjoubi, K; Gérard, E; Jamme, F; Dupraz, C; Braissant, O; Glunk, C; Visscher, P T

2017-03-01

The use of metals as biosignatures in the fossil stromatolite record requires understanding of the processes controlling the initial metal(loid) incorporation and diagenetic preservation in living microbialites. Here, we report the distribution of metals and the organic fraction within the lithifying microbialite of the hypersaline Big Pond Lake (Bahamas). Using synchrotron-based X-ray microfluorescence, confocal, and biphoton microscopies at different scales (cm-μm) in combination with traditional geochemical analyses, we show that the initial cation sorption at the surface of an active microbialite is governed by passive binding to the organic matrix, resulting in a homogeneous metal distribution. During early diagenesis, the metabolic activity in deeper microbialite layers slows down and the distribution of the metals becomes progressively heterogeneous, resulting from remobilization and concentration as metal(loid)-enriched sulfides, which are aligned with the lamination of the microbialite. In addition, we were able to identify globules containing significant Mn, Cu, Zn, and As enrichments potentially produced through microbial activity. The similarity of the metal(loid) distributions observed in the Big Pond microbialite to those observed in the Archean stromatolites of Tumbiana provides the foundation for a conceptual model of the evolution of the metal distribution through initial growth, early diagenesis, and fossilization of a microbialite, with a potential application to the fossil record. © 2016 John Wiley & Sons Ltd.

4-(2-Pyridylazo)-resorcinol Functionalized Thermosensitive Ionic Microgels for Optical Detection of Heavy Metal Ions at Nanomolar Level.

PubMed

Zhou, Xianjing; Nie, Jingjing; Du, Binyang

2015-10-07

4-(2-Pyridylazo)-resorcinol (PAR) functionalized thermosensitive ionic microgels (PAR-MG) were synthesized by a one-pot quaternization method. The PAR-MG microgels were spherical in shape with radius of ca. 166.0 nm and narrow size distribution and exhibited thermo-sensitivity in aqueous solution. The PAR-MG microgels could optically detect trace heavy metal ions, such as Cu(2+), Mn(2+), Pb(2+), Zn(2+), and Ni(2+), in aqueous solutions with high selectivity and sensitivity. The PAR-MG microgel suspensions exhibited characteristic color with the presence of various trace heavy metal ions, which could be visually distinguished by naked eyes. The limit of colorimetric detection (DL) was determined to be 38 nM for Cu(2+) at pH 3, 12 nM for Cu(2+) at pH 7, and 14, 79, 20, and 21 nM for Mn(2+), Pb(2+), Zn(2+), and Ni(2+), respectively, at pH 11, which was lower than (or close to) the United States Environmental Protection Agency standard for the safety limit of these heavy metal ions in drinking water. The mechanism of detection was attributed to the chelation between the nitrogen atoms and o-hydroxyl groups of PAR within the microgels and heavy metal ions.

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

PubMed

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

2017-05-01

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

X-ray binary formation in low-metallicity blue compact dwarf galaxies

NASA Astrophysics Data System (ADS)

Brorby, M.; Kaaret, P.; Prestwich, A.

2014-07-01

X-rays from binaries in small, metal-deficient galaxies may have contributed significantly to the heating and reionization of the early Universe. We investigate this claim by studying blue compact dwarfs (BCDs) as local analogues to these early galaxies. We constrain the relation of the X-ray luminosity function (XLF) to the star formation rate (SFR) using a Bayesian approach applied to a sample of 25 BCDs. The functional form of the XLF is fixed to that found for near-solar metallicity galaxies and is used to find the probability distribution of the normalization that relates X-ray luminosity to SFR. Our results suggest that the XLF normalization for low-metallicity BCDs (12+log(O/H) < 7.7) is not consistent with the XLF normalization for galaxies with near-solar metallicities, at a confidence level 1-5 × 10- 6. The XLF normalization for the BCDs is found to be 14.5± 4.8 ({M}_{⊙}^{-1} yr), a factor of 9.7 ± 3.2 higher than for near-solar metallicity galaxies. Simultaneous determination of the XLF normalization and power-law index result in estimates of q = 21.2^{+12.2}_{-8.8} ({M}_{⊙}^{-1} yr) and α = 1.89^{+0.41}_{-0.30}, respectively. Our results suggest a significant enhancement in the population of high-mass X-ray binaries in BCDs compared to the near-solar metallicity galaxies. This suggests that X-ray binaries could have been a significant source of heating in the early Universe.

Effect of the Yield Stress and r-value Distribution on the Earing Profile of Cup Drawing with Yld2000-2d Yield Function

NASA Astrophysics Data System (ADS)

Lou, Yanshan; Bae, Gihyun; Lee, Changsoo; Huh, Hoon

2010-06-01

This paper deals with the effect of the yield stress and r-value distribution on the earing in the cup drawing. The anisotropic yield function, Yld2000-2d yield function, is selected to describe the anisotropy of two metal sheets, 719B and AA5182-O. The tool dimension is referred from the Benchmark problem of NUMISHEET'2002. The Downhill Simplex method is applied to identify the anisotropic coefficients in Yld2000-2d yield function. Simulations of the drawing process are performed to investigate the earing profile of two materials. The earing profiles obtained from simulations are compared with the analytical model developed by Hosford and Caddell. Simulations are conducted with respect to the change of the yield stress and r-value distribution, respectively. The correlation between the anisotropy and the earing tendency is investigated based on simulation data. Finally, the earing mechanism is analyzed through the deformation process of the blank during the cup deep drawing. It can be concluded that ears locate at angular positions with lower yield stress and higher r-value while the valleys appear at the angular position with higher yield stress and lower r-value. The effect of the yield stress distribution is more important for the cup height distribution than that of the r-value distribution.

Variational first hyperpolarizabilities of 2,3-naphtho-15-crown-5 ether derivatives with cation-complexing: a potential and selective cation detector.

PubMed

Yu, Hai-Ling; Wang, Wen-Yong; Hong, Bo; Zong, Ying; Si, Yan-Ling; Hu, Zhong-Qiang

2016-09-29

Crown ethers, as a kind of heterocycle, have been the subject of great interest over recent decades due to their selective capability to bind to metal cations. The use of a constant crown ether, such as naphtho-15-crown-5 (N15C5), and varied metal cations (Li + , Na + , K + , Be 2+ , Mg 2+ , Ca 2+ , Co 2+ , Ni 2+ , Cu 2+ ) makes it possible to determine the contributions of the metal cations to nonlinear optical (NLO) responses and to design an appropriate NLO-based cation detector. N15C5 and its metal cation derivatives have been systematically investigated by density functional theory. It is found that the dependency of the first hyperpolarizability relies on the metal cation, especially for transition metals. The decrease of the first hyperpolarizabilities for alkali metal cation derivatives is due to their relatively low oscillator strengths, whereas the significant increase of the first hyperpolarizabilities for transition metal cation derivatives can be further illustrated by their low transition energies, large amplitudes and separate distributions of first hyperpolarizability density. Thus, the alkali metal and transition metal cations are distinguishable and the transition metal cations are easier to detect by utilizing the variations in NLO responses.

A NEW METHOD FOR DERIVING THE STELLAR BIRTH FUNCTION OF RESOLVED STELLAR POPULATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gennaro, M.; Brown, T. M.; Gordon, K. D.

We present a new method for deriving the stellar birth function (SBF) of resolved stellar populations. The SBF (stars born per unit mass, time, and metallicity) is the combination of the initial mass function (IMF), the star formation history (SFH), and the metallicity distribution function (MDF). The framework of our analysis is that of Poisson Point Processes (PPPs), a class of statistical models suitable when dealing with points (stars) in a multidimensional space (the measurement space of multiple photometric bands). The theory of PPPs easily accommodates the modeling of measurement errors as well as that of incompleteness. Our method avoidsmore » binning stars in the color–magnitude diagram and uses the whole likelihood function for each data point; combining the individual likelihoods allows the computation of the posterior probability for the population's SBF. Within the proposed framework it is possible to include nuisance parameters, such as distance and extinction, by specifying their prior distributions and marginalizing over them. The aim of this paper is to assess the validity of this new approach under a range of assumptions, using only simulated data. Forthcoming work will show applications to real data. Although it has a broad scope of possible applications, we have developed this method to study multi-band Hubble Space Telescope observations of the Milky Way Bulge. Therefore we will focus on simulations with characteristics similar to those of the Galactic Bulge.« less

Cathode architectures for alkali metal / oxygen batteries

DOEpatents

Visco, Steven J; Nimon, Vitaliy; De Jonghe, Lutgard C; Volfkovich, Yury; Bograchev, Daniil

2015-01-13

Electrochemical energy storage devices, such as alkali metal-oxygen battery cells (e.g., non-aqueous lithium-air cells), have a cathode architecture with a porous structure and pore composition that is tailored to improve cell performance, especially as it pertains to one or more of the discharge/charge rate, cycle life, and delivered ampere-hour capacity. A porous cathode architecture having a pore volume that is derived from pores of varying radii wherein the pore size distribution is tailored as a function of the architecture thickness is one way to achieve one or more of the aforementioned cell performance improvements.

Population Synthesis Studies of the White Dwarfs of the Galactic Disk and Halo

NASA Astrophysics Data System (ADS)

Cojocaru, Elena-Ruxandra

2016-09-01

White dwarfs are fossil stars that can encode valuable information about the formation, evolution and other properties of the different Galactic stellar populations. They are the direct descendants of main-sequence stars with masses ranging from ∼0.8 M⊙ to ∼10 M⊙, which means that over 95% of the stars in our Galaxy will eventually become white dwarfs. This fact, correlated with the excellent quality of modern white dwarf cooling models, clearly marks their potential as cosmic clocks for estimating the ages of Galactic stellar populations, as well as place white dwarfs as privileged objects in understanding several actual astrophysical problems. Stellar population synthesis methods (Tinsley, 1968) use theoretical evolutionary sequences to reproduce luminosities, temperatures and other parameters building up to a synthetic population that can be readily compared to an observed sample of stars. Such techniques are perfect for the study of the different white dwarf populations in our Galaxy and their strength has only grown in recent years, fueled both by improved evolutionary sequences and detailed cooling tracks and also by the ever growing samples of white dwarfs identified through modern survey missions. In particular, the work presented in this thesis uses an updated population synthesis code based on previous versions of the code from our group (García-Berro et al., 1999; Torres et al., 2002; García-Berro et al., 2004; Torres et al., 2005; Camacho et al., 2014). Our synthetic population code, based on Monte Carlo statistical techniques, has been extensively used in the study of the disk (García-Berro et al., 1! 999; Torres et al., 2001; Torres & García-Berro, 2016) and halo (Torres et al., 2002; García-Berro et al., 2004) single white-dwarf population, white dwarf plus main sequence stars (Camacho et al., 2014), as well as open clusters such as NGC 6791 (García-Berro et al., 2010; García-Berro et al., 2011) or globular clusters, as 47 Tuc (García-Berro et al., 2014). In this thesis we investigate different properties of single and binary white dwarf populations in the Galactic disk and halo. We first study the effect of progenitor metallicity on the thin disk white dwarf luminosity function. Stellar metallicity is an important parameter in computing both main-sequence evolutionary sequences and white dwarf cooling tracks. At the same, studies of the metallicity distribution function for the Galactic disk have shown that both high and low-metallicity stars can be found throughout the entire mass range, although a clear dependence between age and metallicity has yet to be proven and more recent findings actually show little correlation. With this in mind, we test two different age-metallicity relations, one assuming a Gaussian distribution of metallicity around the Solar value, the other one a decreasing relation between age and metallicity. We take into account the influence of metallicity on both main sequence lifetimes and white dwarf s! tellar parameters. Finally, we compute the theoretical white dwarf luminosity function applying the observational selection criteria of two different surveys, the Sloan Digital Sky Survey (SDSS) and the Supercosmos Sky Survey (SSS). Next, we compute the white dwarf luminosity, mass and cumulative age functions derived from a sample of DA white dwarfs obtained from the LAMOST Spectroscopic Survey of the Galactic anti-center (LSS-GAC). We also derive the local space density and the formation rate for DA white dwarf. Given that both the observed mass distribution obtained from this sample and that derived from the local sample of white dwarfs present an apparent excess of massive white dwarfs, we investigate the possibility of accounting for this excess by reproducing the white dwarf population of the thin disk under different sets of initial assumptions, accounting also for selection criteria and observational biases. Another issue that we investigate is the robustness of the halo white dwarf luminosity function employing different models for the initial mass function, density profile and stellar formation history. We also analyze if the white dwarf luminosity function can be used as a means to discriminate the role played by residual hydrogen burning in the atmospheres of low-mass white dwarfs. This process is known to become a significant source of energy for white dwarfs descending from very low metallicity progenitors, such as those that characterize the Galactic halo population. Lastly, we simulate the white dwarf-main sequence (WD+MS) binary population of the Galactic disk and compare it to the parameter distributions from the largest and most recent WD+MS catalog derived from the SDSS (Rebassa-Mansergas et al., 2016b). We not only reproduce the selection criteria, but we also account for spectroscopic completeness, observational errors and other biases that affect the sample. We use the observed population as a benchmark for constraining several important physical quantities specific to binary evolution, such as the initial mass ratio distribution and also the common envelope parametrization. This thesis is based on three published papers, Cojocaru et al. (2014), Rebassa-Mansergas et al. (2015) and Cojocaru et al. (2015) and another work in preparation.

Metal nanoparticles as a conductive catalyst

DOEpatents

Coker, Eric N [Albuquerque, NM

2010-08-03

A metal nanocluster composite material for use as a conductive catalyst. The metal nanocluster composite material has metal nanoclusters on a carbon substrate formed within a porous zeolitic material, forming stable metal nanoclusters with a size distribution between 0.6-10 nm and, more particularly, nanoclusters with a size distribution in a range as low as 0.6-0.9 nm.

THE LANDSCAPE OF THE NEUTRINO MECHANISM OF CORE-COLLAPSE SUPERNOVAE: NEUTRON STAR AND BLACK HOLE MASS FUNCTIONS, EXPLOSION ENERGIES, AND NICKEL YIELDS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pejcha, Ondřej; Thompson, Todd A., E-mail: pejcha@astro.princeton.edu, E-mail: thompson@astronomy.ohio-state.edu

2015-03-10

If the neutrino luminosity from the proto-neutron star formed during a massive star core collapse exceeds a critical threshold, a supernova (SN) results. Using spherical quasi-static evolutionary sequences for hundreds of progenitors over a range of metallicities, we study how the explosion threshold maps onto observables, including the fraction of successful explosions, the neutron star (NS) and black hole (BH) mass functions, the explosion energies (E {sub SN}) and nickel yields (M {sub Ni}), and their mutual correlations. Successful explosions are intertwined with failures in a complex pattern that is not simply related to initial progenitor mass or compactness. Wemore » predict that progenitors with initial masses of 15 ± 1, 19 ± 1, and ∼21-26 M {sub ☉} are most likely to form BHs, that the BH formation probability is non-zero at solar-metallicity and increases significantly at low metallicity, and that low luminosity, low Ni-yield SNe come from progenitors close to success/failure interfaces. We qualitatively reproduce the observed E {sub SN}-M {sub Ni} correlation, we predict a correlation between the mean and width of the NS mass and E {sub SN} distributions, and that the means of the NS and BH mass distributions are correlated. We show that the observed mean NS mass of ≅ 1.33 M {sub ☉} implies that the successful explosion fraction is higher than 0.35. Overall, we show that the neutrino mechanism can in principle explain the observed properties of SNe and their compact objects. We argue that the rugged landscape of progenitors and outcomes mandates that SN theory should focus on reproducing the wide ranging distributions of observed SN properties.« less

EXTREMELY METAL-POOR STARS AND A HIERARCHICAL CHEMICAL EVOLUTION MODEL

DOE Office of Scientific and Technical Information (OSTI.GOV)

Komiya, Yutaka

2011-07-20

Early phases of the chemical evolution of the Galaxy and formation history of extremely metal-poor (EMP) stars are investigated using hierarchical galaxy formation models. We build a merger tree of the Galaxy according to the extended Press-Schechter theory. We follow the chemical evolution along the tree and compare the model results to the metallicity distribution function and abundance ratio distribution of the Milky Way halo. We adopt three different initial mass functions (IMFs). In a previous study, we argued that the typical mass, M{sub md}, of EMP stars should be high, M{sub md} {approx} 10 M{sub sun}, based on studiesmore » of binary origin carbon-rich EMP stars. In this study, we show that only the high-mass IMF can explain an observed small number of EMP stars. For relative element abundances, the high-mass IMF and the Salpeter IMF predict similar distributions. We also investigate dependence on nucleosynthetic yields of supernovae (SNe). The theoretical SN yields by Kobayashi et al. and Chieffi and Limongi show reasonable agreement with observations for {alpha}-elements. Our model predicts a significant scatter of element abundances at [Fe/H] < -3. We adopted the stellar yields derived in the work of Francois et al., which produce the best agreement between the observational data and the one-zone chemical evolution model. Their yields well reproduce a trend of the averaged abundances of EMP stars but predict much larger scatter than do the observations. The model with hypernovae predicts Zn abundance, in agreement with the observations, but other models predict lower [Zn/Fe]. Ejecta from the hypernovae with large explosion energy is mixed in large mass and decreases the scatter of the element abundances.« less

Baseline trace metals in water and sediment of the Baleh River-a tropical river in Sarawak, Malaysia.

PubMed

Sim, Siong Fong; Chai, Hui Ping; Nyanti, Lee; Ling, Teck Yee; Grinang, Jongkar

2016-09-01

Quantitative indices are classically employed to evaluate the contamination status of metals with reference to the baseline concentrations. The baselines vary considerably across different geographical zones. It is imperative to determine the local geochemical baseline to evaluate the contamination status. No study has been done to establish the background concentrations in tropical rivers of this region. This paper reports the background concentrations of metals in water and sediment of the Baleh River, Sarawak, derived based on the statistical methods where the areas possibly disturbed are distinguished from the undisturbed area. The baseline levels of six elements in water determined were Al (0.34 mg/L), Fe (0.51 mg/L), Mn (0.12 mg/L), Cu (0.01 mg/L), Pb (0.03 mg/L), and Zn (0.05 mg/L). Arsenic and selenium were below the detection limit. For sediment, the background values were established according to statistical methods including (mean + 2σ), iterative 2σ, cumulative distribution frequency, interquartile, and calculation distribution function. The background values derived using the iterative 2σ algorithm and calculated distribution function were relatively lower. The baseline levels calculated were within the range reported in the literatures mainly from tropical and sub-tropical regions. The upper limits proposed for nine elements in sediment were Al (100,879 mg/kg), Cr (75.45 mg/kg), Cu (34.59 mg/kg), Fe (37,823 mg/kg), Mn (793 mg/kg), Ni (22.88 mg/kg), Pb (27.26 mg/kg), Zn (70.64 mg/kg), and Hg (0.33 mg/kg). Quantitative indices calculated suggest low risk of contamination at the Baleh River.

Prostate cancer and industrial pollution Risk around putative focus in a multi-source scenario.

PubMed

Ramis, Rebeca; Diggle, Peter; Cambra, Koldo; López-Abente, Gonzalo

2011-04-01

Prostate cancer is the second most common type of cancer among men but its aetiology is still largely unknown. Different studies have proposed several risk factors such as ethnic origin, age, genetic factors, hormonal factors, diet and insulin-like growth factor, but the spatial distribution of the disease suggests that other environmental factors are involved. This paper studies the spatial distribution of prostate cancer mortality in an industrialized area using distances from each of a number of industrial facilities as indirect measures of exposure to industrial pollution. We studied the Gran Bilbao area (Spain) with a population of 791,519 inhabitants distributed in 657 census tracts. There were 20 industrial facilities within the area, 8 of them in the central axis of the region. We analysed prostate cancer mortality during the period 1996-2003. There were 883 deaths giving a crude rate of 14 per 100,000 inhabitants. We extended the standard Poisson regression model by the inclusion of a multiplicative non-linear function to model the effect of distance from an industrial facility. The function's shape combined an elevated risk close to the source with a neutral effect at large distance. We also included socio-demographic covariates in the model to control potential confounding. We aggregated the industrial facilities by sector: metal, mineral, chemical and other activities. Results relating to metal industries showed a significantly elevated risk by a factor of approximately 1.4 in the immediate vicinity, decaying with distance to a value of 1.08 at 12km. The remaining sectors did not show a statistically significant excess of risk at the source. Notwithstanding the limitations of this kind of study, we found evidence of association between the spatial distribution of prostate cancer mortality aggregated by census tracts and proximity to metal industrial facilities located within the area, after adjusting for socio-demographic characteristics at municipality level. Copyright © 2010 Elsevier Ltd. All rights reserved.

Metallicity gradients in tidal tails and merging systems

NASA Astrophysics Data System (ADS)

Torres-Flores, S.; Scarano, S., Jr.; Olave, D.; Alfaro, M.; Mendes de Oliveira, C.; de Mello, D. F.; Carrasco, E. R.; Amram, P.; Plana, H.

2014-10-01

We present an analysis of the metal distribution in the tidal tails of two interacting systems and in the main body of a galaxy merger: NGC92, NGC6845 and HCG31, respectively. Using Gemini/GMOS spectroscopic data, we found no metallicity gradients for the tail of NGC92. The abundances in the tail are similar to the values displayed by the central regions of NGC92. This fact suggests that gas mixing triggered by the interaction produces a flattening in the metallicity distribution of this system. For the system NGC6845, we found that regions located in the tail have similar abundances to one source located in the inner region of this galaxy, also suggesting a flat metal distribution. For HCG 31 we found an inhomogeneous metal distribution for the central region. Apparently, each star forming complex keeps its metal abundance despite the strong gravitational interaction that this system suffered. In the case of the tidal tails, our results support the scenario in which gas mixing produces a flattening in the metal distribution. However, we suggest that the star formation is an important mechanism in enhancing the oxygen abundance of these structures.

Fabrication and characterisation of ligand-functionalised ultrapure monodispersed metal nanoparticle nanoassemblies employing advanced gas deposition technique

NASA Astrophysics Data System (ADS)

Geremariam Welearegay, Tesfalem; Cindemir, Umut; Österlund, Lars; Ionescu, Radu

2018-02-01

Here, we report for the first time the fabrication of ligand-functionalised ultrapure monodispersed metal nanoparticles (Au, Cu, and Pt) from their pure metal precursors using the advanced gas deposition technique. The experimental conditions during nanoparticle formation were adjusted in order to obtain ultrafine isolated nanoparticles on different substrates. The morphology and surface analysis of the as-deposited metal nanoparticles were investigated using scanning electron microscopy, x-ray diffraction and Fourier transform infra-red spectroscopy, which demonstrated the formation of highly ordered pure crystalline nanoparticles with a relatively uniform size distribution of ∼10 nm (Au), ∼4 nm (Cu) and ∼3 nm (Pt), respectively. A broad range of organic ligands containing thiol or amine functional groups were attached to the nanoparticles to form continuous networks of nanoparticle-ligand nanoassemblies, which were characterised by scanning electron microscopy and x-ray photoelectron spectroscopy. The electrical resistance of the functional nanoassemblies deposited in the gap spacing of two microfabricated parallel Au electrodes patterned on silicon substrates ranged between tens of kΩ and tens of MΩ, which is suitable for use in many applications including (bio)chemical sensors, surface-enhanced Raman spectroscopy and molecular electronic rectifiers.

Diffusion of Siderophile Elements in Fe Metal: Application to Zoned Metal Grains in Chondrites

NASA Technical Reports Server (NTRS)

Righter, K.; Campbell, A. J.; Humajun, M.

2003-01-01

The distribution of highly siderophile elements (HSE) in planetary materials is controlled mainly by metal. Diffusion processes can control the distribution or re-distribution of these elements within metals, yet there is little systematic or appropriate diffusion data that can be used to interpret HSE concentrations in such metals. Because our understanding of isotope chronometry, redox processes, kamacite/taenite-based cooling rates, and metal grain zoning would be enhanced with diffusion data, we have measured diffusion coefficients for Ni, Co, Ga, Ge, Ru, Pd, Ir and Au in Fe metal from 1200 to 1400 C and 1 bar and 10 kbar. These new data on refractory and volatile siderophile elements are used to evaluate the role of diffusional processes in controlling zoning patterns in metal-rich chondrites.

Homogeneously dispersed, multimetal oxygen-evolving catalysts

DOE PAGES

Zhang, Bo; Zheng, Xueli; Voznyy, Oleksandr; ...

2016-03-24

Earth-abundant first-row (3d) transition-metal-based catalysts have been developed for the oxygen-evolution reaction (OER); however, they operate at overpotentials significantly above thermodynamic requirements. Density functional theory suggested that non-3d high-valency metals such as tungsten can modulate 3d metal oxides, providing near-optimal adsorption energies for OER intermediates. We developed a room-temperature synthesis to produce gelled oxy-hydroxide materials with an atomically homogeneous metal distribution. These gelled FeCoW oxy-hydroxide exhibits the lowest overpotential (191 mV) reported at 10 mA per square centimeter in alkaline electrolyte. Here, the catalyst shows no evidence of degradation following more than 500 hours of operation. X-ray absorption and computationalmore » studies reveal a synergistic interplay between W, Fe and Co in producing a favorable local coordination environment and electronic structure that enhance the energetics for OER.« less

Homogeneously dispersed multimetal oxygen-evolving catalysts.

PubMed

Zhang, Bo; Zheng, Xueli; Voznyy, Oleksandr; Comin, Riccardo; Bajdich, Michal; García-Melchor, Max; Han, Lili; Xu, Jixian; Liu, Min; Zheng, Lirong; García de Arquer, F Pelayo; Dinh, Cao Thang; Fan, Fengjia; Yuan, Mingjian; Yassitepe, Emre; Chen, Ning; Regier, Tom; Liu, Pengfei; Li, Yuhang; De Luna, Phil; Janmohamed, Alyf; Xin, Huolin L; Yang, Huagui; Vojvodic, Aleksandra; Sargent, Edward H

2016-04-15

Earth-abundant first-row (3d) transition metal-based catalysts have been developed for the oxygen-evolution reaction (OER); however, they operate at overpotentials substantially above thermodynamic requirements. Density functional theory suggested that non-3d high-valency metals such as tungsten can modulate 3d metal oxides, providing near-optimal adsorption energies for OER intermediates. We developed a room-temperature synthesis to produce gelled oxyhydroxides materials with an atomically homogeneous metal distribution. These gelled FeCoW oxyhydroxides exhibit the lowest overpotential (191 millivolts) reported at 10 milliamperes per square centimeter in alkaline electrolyte. The catalyst shows no evidence of degradation after more than 500 hours of operation. X-ray absorption and computational studies reveal a synergistic interplay between tungsten, iron, and cobalt in producing a favorable local coordination environment and electronic structure that enhance the energetics for OER. Copyright © 2016, American Association for the Advancement of Science.

Electromigration model for the prediction of lifetime based on the failure unit statistics in aluminum metallization

NASA Astrophysics Data System (ADS)

Park, Jong Ho; Ahn, Byung Tae

2003-01-01

A failure model for electromigration based on the "failure unit model" was presented for the prediction of lifetime in metal lines.The failure unit model, which consists of failure units in parallel and series, can predict both the median time to failure (MTTF) and the deviation in the time to failure (DTTF) in Al metal lines. The model can describe them only qualitatively. In our model, both the probability function of the failure unit in single grain segments and polygrain segments are considered instead of in polygrain segments alone. Based on our model, we calculated MTTF, DTTF, and activation energy for different median grain sizes, grain size distributions, linewidths, line lengths, current densities, and temperatures. Comparisons between our results and published experimental data showed good agreements and our model could explain the previously unexplained phenomena. Our advanced failure unit model might be further applied to other electromigration characteristics of metal lines.

Dendrite-Free Sodium-Metal Anodes for High-Energy Sodium-Metal Batteries.

PubMed

Sun, Bing; Li, Peng; Zhang, Jinqiang; Wang, Dan; Munroe, Paul; Wang, Chengyin; Notten, Peter H L; Wang, Guoxiu

2018-05-31

Sodium (Na) metal is one of the most promising electrode materials for next-generation low-cost rechargeable batteries. However, the challenges caused by dendrite growth on Na metal anodes restrict practical applications of rechargeable Na metal batteries. Herein, a nitrogen and sulfur co-doped carbon nanotube (NSCNT) paper is used as the interlayer to control Na nucleation behavior and suppress the Na dendrite growth. The N- and S-containing functional groups on the carbon nanotubes induce the NSCNTs to be highly "sodiophilic," which can guide the initial Na nucleation and direct Na to distribute uniformly on the NSCNT paper. As a result, the Na-metal-based anode (Na/NSCNT anode) exhibits a dendrite-free morphology during repeated Na plating and striping and excellent cycling stability. As a proof of concept, it is also demonstrated that the electrochemical performance of sodium-oxygen (Na-O 2 ) batteries using the Na/NSCNT anodes show significantly improved cycling performances compared with Na-O 2 batteries with bare Na metal anodes. This work opens a new avenue for the development of next-generation high-energy-density sodium-metal batteries. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Particulate matter and heavy metal deposition on the leaves of Euonymus japonicus during the East Asian monsoon in Beijing, China

PubMed Central

Hong, Xiuling; Sun, Liwei

2017-01-01

Plants can be effectively used as bio-monitors of environmental pollution. However, how the particulate matter (PM) and heavy metal retention ability of plants changes in different areas with human disturbance along with monsoon has not yet been investigated in urban ecosystems. In this study, we measured the amount of PM and heavy metals such as Ni, Cr, Cu, Pb, and Zn accumulated by the leaves of Euonymus japonicus during the East Asian monsoon from different functional units in Beijing, China. A rinse-and-weigh method developed in our laboratory was used to determine the mass of the PM, and electro-thermal atomic absorption spectrometry was used for heavy metal analysis. We found that the types of functional units had little influence, whereas the monsoon had a significant effect on the deposition of PM: northwest areas during the monsoon had the lowest effect (with 0.005, 0.453, 0.643, and 1.569 g/m2 fine, coarse, large, and total PM, respectively), and the southeast areas during the monsoon had the highest effect (0.015, 2.687, 1.941, and 4.228 g/m2 for fine, coarse, large, and total PM, respectively). Notable, we found considerable variations in heavy metal accumulation across the functional units analyzed, that is, the accumulation level was higher in communities than in parks (P < 0.0001 for all heavy metals). Moreover, a positive relationship was found between PM retention and heavy metal accumulation by the leaves of E. japonicus. Taken together, our results suggested that the PM and heavy metal retention ability of E. japonicus was sensitive to human disturbance and monsoon in Beijing. Since E. japonicus is a widely distributed tree and has the ability of to purify the atmosphere, it is an ideal plant for mitigating urban environmental pollution. PMID:28662081

Characterization of heavy metal desorption from road-deposited sediment under acid rain scenarios.

PubMed

Zhao, Bo; Liu, An; Wu, Guangxue; Li, Dunzhu; Guan, Yuntao

2017-01-01

Road-deposited sediments (RDS) on urban impervious surfaces are important carriers of heavy metals. Dissolved heavy metals that come from RDS influenced by acid rain, are more harmful to urban receiving water than particulate parts. RDS and its associated heavy metals were investigated at typical functional areas, including industrial, commercial and residential sites, in Guangdong, Southern China, which was an acid rain sensitive area. Total and dissolved heavy metals in five particle size fractions were analyzed using a shaking method under acid rain scenarios. Investigated heavy metals showed no difference in the proportion of dissolved fraction in the solution under different acid rain pHs above 3.0, regardless of land use. Dissolved loading of heavy metals related to organic carbon content were different in runoff from main traffic roads of three land use types. Coarse particles (>150μm) that could be efficiently removed by conventional street sweepers, accounted for 55.1%-47.1% of the total dissolved metal loading in runoff with pH3.0-5.6. The obtained findings provided a significant scientific basis to understand heavy metal release and influence of RDS grain-size distribution and land use in dissolved heavy metal pollution affected by acid rain. Copyright © 2016. Published by Elsevier B.V.

Bridging Zirconia Nodes within a Metal–Organic Framework via Catalytic Ni-Hydroxo Clusters to Form Heterobimetallic Nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Platero-Prats, Ana E.; League, Aaron B.; Bernales, Varinia

2017-07-24

Metal-organic frameworks (MOFs), with their well-ordered pore networks and tunable surface chemistries, offer a versatile platform for preparing well-defined nanostructures wherein functionality such as catalysis can be incorporated. We resolved the atomic structure of Ni-oxo species deposited in the MOF NU-1000 through atomic layer deposition using local and long-range structure probes, including X-ray absorption spectroscopy, pair distribution function analysis and difference envelope density analysis, with electron microscopy imaging and computational modeling.

View planetary differentiation process through high-resolution 3D imaging

NASA Astrophysics Data System (ADS)

Fei, Y.

2011-12-01

Core-mantle separation is one of the most important processes in planetary evolution, defining the structure and chemical distribution in the planets. Iron-dominated core materials could migrate through silicate mantle to the core by efficient liquid-liquid separation and/or by percolation of liquid metal through solid silicate matrix. We can experimentally simulate these processes to examine the efficiency and time of core formation and its geochemical signatures. The quantitative measure of the efficiency of percolation is usually the dihedral angle, related to the interfacial energies of the liquid and solid phases. To determine the true dihedral angle at high pressure and temperatures, it is necessary to measure the relative frequency distributions of apparent dihedral angles between the quenched liquid metal and silicate grains for each experiment. Here I present a new imaging technique to visualize the distribution of liquid metal in silicate matrix in 3D by combination of focus ion beam (FIB) milling and high-resolution SEM image. The 3D volume rendering provides precise determination of the dihedral angle and quantitative measure of volume fraction and connectivity. I have conducted a series of experiments using mixtures of San Carlos olivine and Fe-S (10wt%S) metal with different metal-silicate ratios, up to 25 GPa and at temperatures above 1800C. High-quality 3D volume renderings were reconstructed from FIB serial sectioning and imaging with 10-nm slice thickness and 14-nm image resolution for each quenched sample. The unprecedented spatial resolution at nano scale allows detailed examination of textural features and precise determination of the dihedral angle as a function of pressure, temperature and composition. The 3D reconstruction also allows direct assessment of connectivity in multi-phase matrix, providing a new way to investigate the efficiency of metal percolation in a real silicate mantle.

Metallicities of z ~2 Galaxies From the 3D-HST Survey

NASA Astrophysics Data System (ADS)

Hernandez, Betsy; Momcheva, Ivelina; 3D-HST team

2018-01-01

The metal content of the gas in galaxies as a function of cosmic time is a measure of the exchange of gas between the galaxy and its environment. Understanding its evolution is central to understanding the physical processes that govern the efficiency and timing of star formation in galaxies. Our sample consists of 127 galaxies from the 3D-HST survey with individually detected spectral lines at z~2. We perform a comparison of line ratios that serve as proxies for the ionization parameter and oxygen abundance (O32 and R23 respectively) between the 3D-HST sample and SDSS galaxies at z~0. We examine the mass-metallicity relation of the 3D-HST sample, deriving the metallicity using O32 and R23, based on the Kobulnicky & Kewley models. Results from the O32 versus R23 comparison in the 3D-HST sample yield a similar distribution to recent high redshift samples. The mass-metallicity (MZ) relation shows the majority of 3D-HST metallicity values fall within previous MZ relation results.

Pollution characteristics and health risk assessment of heavy metals in street dusts from different functional areas in Beijing, China.

PubMed

Wei, Xin; Gao, Bo; Wang, Peng; Zhou, Huaidong; Lu, Jin

2015-02-01

Street dusts from Heavy Density Traffic Area, Residential Area, Educational Area and Tourism Area in Beijing, China, were collected to study the distribution, accumulation and health risk assessment of heavy metals. Cr, Cu, Zn, Cd and Pb concentrations were in higher concentrations in these four locations than in the local soil background. In comparison with the concentrations of selected metals in other cities, the concentrations of heavy metals in Beijing were generally at moderate or low levels. Ni, Cu, Zn and Pb concentrations in the Tourism Area were the highest among four different areas in Beijing. A pollution assessment by Geoaccumulation Index showed that the pollution level for the heavy metals is in the following order: Cd>Pb>Zn>Cu>Cr>Ni. The Cd levels can be considered "heavily contaminated" status. The health risk assessment model that was employed to calculate human exposure indicated that both non-carcinogenic and carcinogenic risks of selected metals in street dusts were generally in the low range, except for the carcinogenic risk from Cr for children. Copyright © 2014 Elsevier Inc. All rights reserved.

Partial Ionic Character beyond the Pauling Paradigm: Metal Nanoparticles

DOE PAGES

Duanmu, Kaining; Truhlar, Donald G.

2014-11-12

A canonical perspective on the chemical bond is the Pauling paradigm: a bond in a molecule containing only identical atoms has no ionic character. However, we show that homonuclear silver clusters have very uneven charge distributions (for example, the C 2v structure of Ag 4 has a larger dipole moment than formaldehyde or acetone), and we show how to predict the charge distribution from coordination numbers and Hirshfeld charges. The new charge model is validated against Kohn–Sham calculations of dipole moments with four approximations for the exchange–correlation functional. We report Kohn–Sham studies of the binding energies of CO on silvermore » monomer and silver clusters containing 2–18 atoms. We also find that an accurate charge model is essential for understanding the site dependence of binding. In particular we find that atoms with more positive charges tend to have higher binding energies, which can be used for guidance in catalyst modeling and design. Furthermore, the nonuniform charge distribution of silver clusters predisposes the site preference of binding of carbon monoxide, and we conclude that nonuniform charge distributions are an important property for understanding binding of metal nanoparticles in general.« less

Integration Science and Technology of Advanced Ceramics for Energy and Environmental Applications

NASA Technical Reports Server (NTRS)

Singh, M.

2012-01-01

The discovery of new and innovative materials has been known to culminate in major turning points in human history. The transformative impact and functional manifestation of new materials have been demonstrated in every historical era by their integration into new products, systems, assemblies, and devices. In modern times, the integration of new materials into usable products has a special relevance for the technological development and economic competitiveness of industrial societies. Advanced ceramic technologies dramatically impact the energy and environmental landscape due to potential wide scale applications in all aspects of energy production, storage, distribution, conservation, and efficiency. Examples include gas turbine propulsion systems, fuel cells, thermoelectrics, photovoltaics, distribution and transmission systems based on superconductors, nuclear power generation, and waste disposal. Robust ceramic integration technologies enable hierarchical design and manufacturing of intricate ceramic components starting with geometrically simpler units that are subsequently joined to themselves and/or to metals to create components with progressively higher levels of complexity and functionality. However, for the development of robust and reliable integrated systems with optimum performance under different operating conditions, the detailed understanding of various thermochemical and thermomechanical factors is critical. Different approaches are required for the integration of ceramic-metal and ceramic-ceramic systems across length scales (macro to nano). In this presentation, a few examples of integration of ceramic to metals and ceramic to ceramic systems will be presented. Various challenges and opportunities in design, fabrication, and testing of integrated similar (ceramic-ceramic) and dissimilar (ceramic-metal) material systems will be discussed. Potential opportunities and need for the development of innovative design philosophies, approaches, and integrated system testing under simulated application conditions will also be presented.

Measurement and dynamics of the spatial distribution of an electron localized at a metal-dielectric interface

NASA Astrophysics Data System (ADS)

Bezel, Ilya; Gaffney, Kelly J.; Garrett-Roe, Sean; Liu, Simon H.; Miller, André D.; Szymanski, Paul; Harris, Charles B.

2004-01-01

The ability of time- and angle-resolved two-photon photoemission to estimate the size distribution of electron localization in the plane of a metal-adsorbate interface is discussed. It is shown that the width of angular distribution of the photoelectric current is inversely proportional to the electron localization size within the most common approximations in the description of image potential states. The localization of the n=1 image potential state for two monolayers of butyronitrile on Ag(111) is used as an example. For the delocalized n=1 state, the shape of the signal amplitude as a function of momentum parallel to the surface changes rapidly with time, indicating efficient intraband relaxation on a 100 fs time scale. For the localized state, little change was observed. The latter is related to the constant size distribution of electron localization, which is estimated to be a Gaussian with a 15±4 Å full width at half maximum in the plane of the interface. A simple model was used to study the effect of a weak localization potential on the overall width of the angular distribution of the photoemitted electrons, which exhibited little sensitivity to the details of the potential. This substantiates the validity of the localization size estimate.

Chebyshev collocation approach for vibration analysis of functionally graded porous beams based on third-order shear deformation theory

NASA Astrophysics Data System (ADS)

Wattanasakulpong, Nuttawit; Chaikittiratana, Arisara; Pornpeerakeat, Sacharuck

2018-06-01

In this paper, vibration analysis of functionally graded porous beams is carried out using the third-order shear deformation theory. The beams have uniform and non-uniform porosity distributions across their thickness and both ends are supported by rotational and translational springs. The material properties of the beams such as elastic moduli and mass density can be related to the porosity and mass coefficient utilizing the typical mechanical features of open-cell metal foams. The Chebyshev collocation method is applied to solve the governing equations derived from Hamilton's principle, which is used in order to obtain the accurate natural frequencies for the vibration problem of beams with various general and elastic boundary conditions. Based on the numerical experiments, it is revealed that the natural frequencies of the beams with asymmetric and non-uniform porosity distributions are higher than those of other beams with uniform and symmetric porosity distributions.

Advanced analysis of metal distributions in human hair

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kempson, Ivan M.; Skinner, William M.

2008-06-09

A variety of techniques (secondary electron microscopy with energy dispersive X-ray analysis, time-of-flight-secondary ion mass spectrometry, and synchrotron X-ray fluorescence) were utilized to distinguish metal contamination occurring in hair arising from endogenous uptake from an individual exposed to a polluted environment, in this case a lead smelter. Evidence was sought for elements less affected by contamination and potentially indicative of biogenic activity. The unique combination of surface sensitivity, spatial resolution, and detection limits used here has provided new insight regarding hair analysis. Metals such as Ca, Fe, and Pb appeared to have little representative value of endogenous uptake and weremore » mainly due to contamination. Cu and Zn, however, demonstrate behaviors worthy of further investigation into relating hair concentrations to endogenous function.« less

Distributions and contamination assessment of heavy metals in the surface sediments of western Laizhou Bay: Implications for the sources and influencing factors.

PubMed

Zhang, Pan; Hu, Rijun; Zhu, Longhai; Wang, Peng; Yin, Dongxiao; Zhang, Lianjie

2017-06-15

Heavy metals (Cu, Pb, Cr, Cd and As) contents in surface sediments from western Laizhou Bay were analysed to evaluate the spatial distribution pattern and their contamination level. As was mainly concentrated in the coastal area near the estuaries and the other metals were mainly concentrated in the central part of the study area. The heavy metals were present at unpolluted levels overall evaluated by the sediment quality guidelines and geoaccumulation index. Principal component analysis suggest that Cu, Pb and Cd were mainly sourced from natural processes and As was mainly derived from anthropogenic inputs. Meanwhile, Cr originated from both natural processes and anthropogenic contributions. Tidal currents, sediments and human activities were important factors affecting the distribution of heavy metals. The heavy metal environment was divided into four subareas to provide a reference for understanding the distribution and pollution of heavy metals in the estuary-bay system. Copyright © 2017 Elsevier Ltd. All rights reserved.

Electronic Interactions of Size-Selected Oxide Clusters on Metallic and Thin Film Oxide Supports

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xue, Meng; Nakayama, Miki; Liu, Ping

The interfacial electronic structure of various size-selected metal oxide nanoclusters (M 3O x; M = Mo, Nb, Ti) on Cu(111) and a thin film of Cu 2O supports were investigated in this paper by a combination of experimental methods and density functional theory (DFT). These systems explore electron transfer at the metal–metal oxide interface which can modify surface structure, metal oxidation states, and catalytic activity. Electron transfer was probed by measurements of surface dipoles derived from coverage dependent work function measurements using two-photon photoemission (2PPE) and metal core level binding energy spectra from X-ray photoelectron spectroscopy (XPS). The measured surfacemore » dipoles are negative for all clusters on Cu(111) and Cu 2O/Cu(111), but those on the Cu 2O surface are much larger in magnitude. In addition, sub-stoichiometric or “reduced” clusters exhibit smaller surface dipoles on both the Cu(111) and Cu 2O surfaces. Negative surface dipoles for clusters on Cu(111) suggest Cu → cluster electron transfer, which is generally supported by DFT-calculated Bader charge distributions. For Cu 2O/Cu(111), calculations of the surface electrostatic potentials show that the charge distributions associated with cluster adsorption structures or distortions at the cluster–Cu 2O–Cu(111) interface are largely responsible for the observed negative surface dipoles. Changes observed in the XPS spectra for the Mo 3d, Nb 3d, and Ti 2p core levels of the clusters on Cu(111) and Cu 2O/Cu(111) are interpreted with help from the calculated Bader charges and cluster adsorption structures, the latter providing information about the presence of inequivalent cation sites. Finally, the results presented in this work illustrate how the combined use of different experimental probes along with theoretical calculations can result in a more realistic picture of cluster–support interactions and bonding.« less

Electronic Interactions of Size-Selected Oxide Clusters on Metallic and Thin Film Oxide Supports

DOE PAGES

Xue, Meng; Nakayama, Miki; Liu, Ping; ...

2017-09-13

The interfacial electronic structure of various size-selected metal oxide nanoclusters (M 3O x; M = Mo, Nb, Ti) on Cu(111) and a thin film of Cu 2O supports were investigated in this paper by a combination of experimental methods and density functional theory (DFT). These systems explore electron transfer at the metal–metal oxide interface which can modify surface structure, metal oxidation states, and catalytic activity. Electron transfer was probed by measurements of surface dipoles derived from coverage dependent work function measurements using two-photon photoemission (2PPE) and metal core level binding energy spectra from X-ray photoelectron spectroscopy (XPS). The measured surfacemore » dipoles are negative for all clusters on Cu(111) and Cu 2O/Cu(111), but those on the Cu 2O surface are much larger in magnitude. In addition, sub-stoichiometric or “reduced” clusters exhibit smaller surface dipoles on both the Cu(111) and Cu 2O surfaces. Negative surface dipoles for clusters on Cu(111) suggest Cu → cluster electron transfer, which is generally supported by DFT-calculated Bader charge distributions. For Cu 2O/Cu(111), calculations of the surface electrostatic potentials show that the charge distributions associated with cluster adsorption structures or distortions at the cluster–Cu 2O–Cu(111) interface are largely responsible for the observed negative surface dipoles. Changes observed in the XPS spectra for the Mo 3d, Nb 3d, and Ti 2p core levels of the clusters on Cu(111) and Cu 2O/Cu(111) are interpreted with help from the calculated Bader charges and cluster adsorption structures, the latter providing information about the presence of inequivalent cation sites. Finally, the results presented in this work illustrate how the combined use of different experimental probes along with theoretical calculations can result in a more realistic picture of cluster–support interactions and bonding.« less

Low-redshift Lyman limit systems as diagnostics of cosmological inflows and outflows

NASA Astrophysics Data System (ADS)

Hafen, Zachary; Faucher-Giguère, Claude-André; Anglés-Alcázar, Daniel; Kereš, Dušan; Feldmann, Robert; Chan, T. K.; Quataert, Eliot; Murray, Norman; Hopkins, Philip F.

2017-08-01

We use cosmological hydrodynamic simulations with stellar feedback from the FIRE (Feedback In Realistic Environments) project to study the physical nature of Lyman limit systems (LLSs) at z ≤ 1. At these low redshifts, LLSs are closely associated with dense gas structures surrounding galaxies, such as galactic winds, dwarf satellites and cool inflows from the intergalactic medium. Our analysis is based on 14 zoom-in simulations covering the halo mass range Mh ≈ 109-1013 M⊙ at z = 0, which we convolve with the dark matter halo mass function to produce cosmological statistics. We find that the majority of cosmologically selected LLSs are associated with haloes in the mass range 1010 ≲ Mh ≲ 1012 M⊙. The incidence and H I column density distribution of simulated absorbers with columns in the range 10^{16.2} ≤ N_{H I} ≤ 2× 10^{20} cm-2 are consistent with observations. High-velocity outflows (with radial velocity exceeding the halo circular velocity by a factor of ≳ 2) tend to have higher metallicities ([X/H] ˜ -0.5) while very low metallicity ([X/H] < -2) LLSs are typically associated with gas infalling from the intergalactic medium. However, most LLSs occupy an intermediate region in metallicity-radial velocity space, for which there is no clear trend between metallicity and radial kinematics. The overall simulated LLS metallicity distribution has a mean (standard deviation) [X/H] = -0.9 (0.4) and does not show significant evidence for bimodality, in contrast to recent observational studies, but consistent with LLSs arising from haloes with a broad range of masses and metallicities.

Intermediate-range order in simple metal-phosphate glasses: The effect of metal cations on the phosphate anion distribution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sales, B.C.; Boatner, L.A.; Ramey, J.O.

1997-06-01

The technique of high-performance liquid chromatography (HPLC) has been used to probe the phosphate anion distribution in a variety of metal phosphate glasses including glasses made with trivalent metal cations (Al, In, Ga, La). The composition of each glass was chosen so that the average phosphate chain length was between 2 and 4 PO{sub 4} tetrahedra. The widths of the resulting phosphate anion distributions were determined directly from an analysis of the HPLC chromatograms. Literature values for the free energy of formation of the crystalline metal-orthophosphate compounds with respect to P{sub 2}O{sub 5} and the metal oxide, were compared tomore » the chromatogram widths. It was found that the smaller the energy of formation, the wider the distribution of phosphate chains, and the greater the ease of glass formation.« less

Multi-gas interaction modeling on decorated semiconductor interfaces: A novel Fermi distribution-based response isotherm and the inverse hard/soft acid/base concept

NASA Astrophysics Data System (ADS)

Laminack, William; Gole, James

2015-12-01

A unique MEMS/NEMS approach is presented for the modeling of a detection platform for mixed gas interactions. Mixed gas analytes interact with nanostructured decorating metal oxide island sites supported on a microporous silicon substrate. The Inverse Hard/Soft acid/base (IHSAB) concept is used to assess a diversity of conductometric responses for mixed gas interactions as a function of these nanostructured metal oxides. The analyte conductometric responses are well represented using a combination diffusion/absorption-based model for multi-gas interactions where a newly developed response absorption isotherm, based on the Fermi distribution function is applied. A further coupling of this model with the IHSAB concept describes the considerations in modeling of multi-gas mixed analyte-interface, and analyte-analyte interactions. Taking into account the molecular electronic interaction of both the analytes with each other and an extrinsic semiconductor interface we demonstrate how the presence of one gas can enhance or diminish the reversible interaction of a second gas with the extrinsic semiconductor interface. These concepts demonstrate important considerations in the array-based formats for multi-gas sensing and its applications.

Structural Dynamics and Activity of Nanocatalysts Inside Fuel Cells by in-operando Atomic Pair Distribution Studies

NASA Astrophysics Data System (ADS)

Prasai, Binay

We present the results from a study aimed at clarifying the relationship between the atomic structure and activity of nanocatalysts for chemical reactions driving fuel cells, such as the oxygen reduction reaction (ORR). Using in-operando high-energy X-ray diffraction we tracked the evolution of the atomic structure and activity of noble metal-transition metal(NM-TM) nanocatalysts for ORR as they function at the cathode of a fully operational proton exchange membrane fuel cell (PEMFC). Data were analyzed in terms of atomic pair distribution functions and compared to the current output of the PEMFC, which was also recorded during the experiments. The comparison revealed that under actual operating conditions, NM-TM nanocatalysts can undergo structural changes that differ significantly in both length-scale and dynamics and so can suffer losses in their ORR activity that differ significantly in both character and magnitude. Therefore, we argue that strategies for reducing ORR activity losses should implement steps for achieving control not only over the length but also over the time-scale of the structural changes of NM-TM NPs that indeed occur during PEMFC operation.

Analysis of liquid-metal-jet impingement cooling in a corner region and for a row of jets

NASA Technical Reports Server (NTRS)

Siegel, R.

1975-01-01

A conformal mapping method was used to analyze liquid-metal-jet impingement heat transfer. The jet flow region and energy equation are transformed to correspond to uniform flow in a parallel plate channel with nonuniform heat addition along a portion of one wall. The exact solution for the wall-temperature distribution was obtained in the transformed channel, and the results are mapped back into the physical plane. Two geometries are analyzed. One is for a single slot jet directed either into an interior corner formed by two flat plates, or over the external sides of the corner; the flat plates are uniformly heated, and the corner can have various included angles. The heat-transfer coefficient at the stagnation point at the apex of the plates is obtained as a function of the corner angle, and temperature distributions are calculated along the heated walls. The second geometry is an infinite row of uniformly spaced parallel slot jets impinging normally against a uniformly heated plate. The heat-transfer behavior is obtained as a function of the spacing between the jets. Results are given for several jet Peclet numbers from 5 to 50.

Hybrid mesoporous-silica materials functionalized by Pt(II) complexes: correlation between the spatial distribution of the active center, photoluminescence emission, and photocatalytic activity.

PubMed

Mori, Kohsuke; Watanabe, Kentaro; Terai, Yoshikazu; Fujiwara, Yasufumi; Yamashita, Hiromi

2012-09-03

[Pt(tpy)Cl]Cl (tpy: terpyridine) was successfully anchored to a series of mesoporous-silica materials that were modified with (3-aminopropyl)triethoxysilane with the aim of developing new inorganic-organic hybrid photocatalysts. Herein, the relationship between the luminescence characteristics and photocatalytic activities of these materials is examined as a function of Pt loading to define the spatial distribution of the Pt complex in the mesoporous channel. At low Pt loading, the Pt complex is located as an isolated species and exhibits strong photoluminescence emission at room temperature owing to metal-to-ligand charge-transfer ((3)MLCT) transitions (at about 530 nm). Energy- and/or electron-transfer from (3)MLCT to O(2) generate potentially active oxygen species, which are capable of promoting the selective photooxidation of styrene derivatives. On the other hand, short Pt···Pt interactions are prominent at high loading and the metal-metal-to-ligand charge-transfer ((3)MMLCT) transition is at about 620 nm. Such Pt complexes, which are situated close to each other, efficiently catalyze H(2)-evolution reactions in aqueous media in the presence of a sacrificial electron donor (EDTA) under visible-light irradiation. This study also investigates the effect of nanoconfinement on anchored guest complexes by considering the differences between the pore dimensions and structures of mesoporous-silica materials. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Aluminium surface treatment with ceramic phases using diode laser

NASA Astrophysics Data System (ADS)

Labisz, K.; Tański, T.; Brytan, Z.; Pakieła, W.; Wiśniowski, M.

2016-07-01

Ceramic particles powder feeding into surface layer of engineering metal alloy is a well-known and widely used technique. New approach into the topic is to obtain finely distributed nano-sized particles involved in the aluminium matrix using the traditional laser technology. In this paper are presented results of microstructure investigation of cast aluminium-silicon-copper alloys surface layer after heat treatment and alloying with ceramic carbides of WC and ZrO2 using high-power diode laser. The surface layer was specially prepared for the reason of reducing the reflectivity, which is the main problem in the up-to-date metal matrix composites production. With scanning electron microscopy, it was possible to determine the deformation process and distribution of WC and ZrO2 ceramic powder phase. Structure of the surface after laser treatment changes, revealing three zones—remelting zone, heat-affected zone and transition zone placed over the Al substrate. The structural changes of ceramic powder, its distribution and morphology as well as microstructure of the matrix material influence on functional properties, especially wear resistance and hardness of the achieved layer, were investigated.

Forced-flow chromatographic determination of calcium and magnesium with continuous spectrophotometric detection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arguello, M.D.

1977-12-01

Modifications to the forced-flow chromatograph include a flow-through pH monitor to continuously monitor the pH of the final effluent and an active low-pass filter to eliminate noise in the spectrophotometric detector. All separations are performed using partially sulfonated XAD-2 as the ion exchanger. Elution of calcium and magnesium is accomplished using ammonium chloride and ethylenediammonium chloride solutions. Calcium and magnesium are detected by means of Arsenazo I and PAR-ZnEDTA color-forming reagents. Other metal ions are detected by means of PAR and Chromazurol S color-forming reagents. Calcium and magnesium distribution coefficients on partially sulfonated XAD-2 as functions of ammonium chloride andmore » ethylenediammonium chloride concentration are given together with distribution coefficients of other metal ions. Methods for the selective elution of interfering metal ions prior to the elution of calcium and magnesium are described. Beryllium and aluminum are selectively eluted with sulfosalicylic acid. Those elements forming anionic chloride complexes are selectively eluted with HCl-acetone. Nickel is selectively eluted with HCl-acetone-dimethylglyoxime. Synthetic samples containing calcium and magnesium, both alone and in combination with alkali metals, strontium, barium, beryllium, aluminum, transition metals, and rare earths, are analyzed. Hard water samples are analyzed for calcium and magnesium and the results compared to those obtained by EDTA titration, atomic absorption spectroscopy, and plasma emission spectroscopy. Several clinical serum samples are analyzed for calcium and magnesium and the results compared to those obtained by atomic absorption spectroscopy.« less

Noncompetitive and Competitive Adsorption of Heavy Metals in Sulfur-Functionalized Ordered Mesoporous Carbon.

PubMed

Saha, Dipendu; Barakat, Soukaina; Van Bramer, Scott E; Nelson, Karl A; Hensley, Dale K; Chen, Jihua

2016-12-14

In this work, sulfur-functionalized ordered mesoporous carbons were synthesized by activating the soft-templated mesoporous carbons with sulfur bearing salts that simultaneously enhanced the surface area and introduced sulfur functionalities onto the parent carbon surface. XPS analysis showed that sulfur content within the mesoporous carbons were between 8.2% and 12.9%. The sulfur functionalities include C-S, C═S, -COS, and SO x . SEM images confirmed the ordered mesoporosity within the material. The BET surface areas of the sulfur-functionalized ordered mesoporous carbons range from 837 to 2865 m 2 /g with total pore volume of 0.71-2.3 cm 3 /g. The carbon with highest sulfur functionality was examined for aqueous phase adsorption of mercury (as HgCl 2 ), lead (as Pb(NO 3 ) 2 ), cadmium (as CdCl 2 ), and nickel (as NiCl 2 ) ions in both noncompetitive and competitive mode. Under noncompetitive mode and at a pH greater than 7.0 the affinity of sulfur-functionalized carbons toward heavy metals were in the order of Hg > Pb > Cd > Ni. At lower pH, the adsorbent switched its affinity between Pb and Cd. In the noncompetitive mode, Hg and Pb adsorption showed a strong pH dependency whereas Cd and Ni adsorption did not demonstrate a significant influence of pH. The distribution coefficient for noncompetitive adsorption was in the range of 2448-4000 mL/g for Hg, 290-1990 mL/g for Pb, 550-560 mL/g for Cd, and 115-147 for Ni. The kinetics of adsorption suggested a pseudo-second-order model fits better than other models for all the metals. XPS analysis of metal-adsorption carbons suggested that 7-8% of the adsorbed Hg was converted to HgSO 4 , 14% and 2% of Pb was converted to PbSO 4 and PbS/PbO, respectively, and 5% Cd was converted to CdSO 4 . Ni was below the detection limit for XPS. Overall results suggested these carbon materials might be useful for the separation of heavy metals.

Controlling the Local Electronic Properties of Si(553)-Au through Hydrogen Doping

NASA Astrophysics Data System (ADS)

Hogan, C.; Speiser, E.; Chandola, S.; Suchkova, S.; Aulbach, J.; Schäfer, J.; Meyer, S.; Claessen, R.; Esser, N.

2018-04-01

We propose a quantitative and reversible method for tuning the charge localization of Au-stabilized stepped Si surfaces by site-specific hydrogenation. This is demonstrated for Si(553)-Au as a model system by combining density functional theory simulations and reflectance anisotropy spectroscopy experiments. We find that controlled H passivation is a two-step process: step-edge adsorption drives excess charge into the conducting metal chain "reservoir" and renders it insulating, while surplus H recovers metallic behavior. Our approach illustrates a route towards microscopic manipulation of the local surface charge distribution and establishes a reversible switch of site-specific chemical reactivity and magnetic properties on vicinal surfaces.

Frequency-dependent shot noise in long disordered superconductor-normal-metal-superconductor contacts.

PubMed

Nagaev, K E

2001-04-02

The shot noise in long diffusive superconductor-normal-metal-superconductor contacts is calculated using the semiclassical approach. At low frequencies and for purely elastic scattering, the voltage dependence of the noise is of the form S(I) = (4Delta+2eV)/3R. The electron-electron scattering suppresses the noise at small voltages resulting in vanishing noise yet infinite dS(I)/dV at V = 0. The distribution function of electrons consists of a series of steps, and the frequency dependence of noise exhibits peculiarities at omega = neV, omega = neV-2Delta, and omega = 2Delta-neV for integer n.

Single-step generation of metal-plasma polymer multicore@shell nanoparticles from the gas phase.

PubMed

Solař, Pavel; Polonskyi, Oleksandr; Olbricht, Ansgar; Hinz, Alexander; Shelemin, Artem; Kylián, Ondřej; Choukourov, Andrei; Faupel, Franz; Biederman, Hynek

2017-08-17

Nanoparticles composed of multiple silver cores and a plasma polymer shell (multicore@shell) were prepared in a single step with a gas aggregation cluster source operating with Ar/hexamethyldisiloxane mixtures and optionally oxygen. The size distribution of the metal inclusions as well as the chemical composition and the thickness of the shells were found to be controlled by the composition of the working gas mixture. Shell matrices ranging from organosilicon plasma polymer to nearly stoichiometric SiO 2 were obtained. The method allows facile fabrication of multicore@shell nanoparticles with tailored functional properties, as demonstrated here with the optical response.

Absorption line indices in the UV. I. Empirical and theoretical stellar population models

NASA Astrophysics Data System (ADS)

Maraston, C.; Nieves Colmenárez, L.; Bender, R.; Thomas, D.

2009-01-01

Aims: Stellar absorption lines in the optical (e.g. the Lick system) have been extensively studied and constitute an important stellar population diagnostic for galaxies in the local universe and up to moderate redshifts. Proceeding towards higher look-back times, galaxies are younger and the ultraviolet becomes the relevant spectral region where the dominant stellar populations shine. A comprehensive study of ultraviolet absorption lines of stellar population models is however still lacking. With this in mind, we study absorption line indices in the far and mid-ultraviolet in order to determine age and metallicity indicators for UV-bright stellar populations in the local universe as well as at high redshift. Methods: We explore empirical and theoretical spectral libraries and use evolutionary population synthesis to compute synthetic line indices of stellar population models. From the empirical side, we exploit the IUE-low resolution library of stellar spectra and system of absorption lines, from which we derive analytical functions (fitting functions) describing the strength of stellar line indices as a function of gravity, temperature and metallicity. The fitting functions are entered into an evolutionary population synthesis code in order to compute the integrated line indices of stellar populations models. The same line indices are also directly evaluated on theoretical spectral energy distributions of stellar population models based on Kurucz high-resolution synthetic spectra, In order to select indices that can be used as age and/or metallicity indicators for distant galaxies and globular clusters, we compare the models to data of template globular clusters from the Magellanic Clouds with independently known ages and metallicities. Results: We provide synthetic line indices in the wavelength range ~1200 Å to ~3000 Å for stellar populations of various ages and metallicities.This adds several new indices to the already well-studied CIV and SiIV absorptions. Based on the comparison with globular cluster data, we select a set of 11 indices blueward of the 2000 Å rest-frame that allows us to recover well the ages and the metallicities of the clusters. These indices are ideal to study ages and metallicities of young galaxies at high redshift. We also provide the synthetic high-resolution stellar population SEDs.

Biometal binding-site mimicry with modular, hetero-bifunctionally modified architecture encompassing a Trp/His motif: insights into spatiotemporal noncovalent interactions from a comparative spectroscopic study.

PubMed

Yang, Chi Ming

2011-03-28

Metal-site Trp/His interactions are crucial to diverse metalloprotein functions. This paper presents a study using metal-motif mimicry to capture and dissect the static and transient components of physicochemical properties underlying the Trp/His aromatic side-chain noncovalent interactions across the first- and second-coordination spheres of biometal ions. Modular biomimetic constructs, EDTA-(L-Trp, L-His) or EWH and DTPA-(L-Trp, L-His) or DWH, featuring a function-significant Trp/His pair, enabled extracting the putative hydrophobic/hydrophilic aromatic interactions surrounding metal centers. Fluorescence, circular dichroism (CD) spectroscopic titrations and ESI mass spectrometry demonstrated that both the constructs stoichiometrically bind to Ca(2+), Co(2+), Cu(2+), Ni(2+), Mn(2+), Zn(2+), Cd(2+), and Fe(2+), and such binding was strongly coupled to stereospecific side-chain structure reorientations of the Trp indole and His imidazole rings. A mechanistic dichotomy corresponding to the participation of the indole unit in the binding event was revealed by a scaffold-platform correlation of steady-state fluorescence-response landscape, illuminating that secondary-coordination-sphere ligand cation-π interactions were immediately followed by subsequent transient physicochemical processes including through-space energy transfer, charge transfer and/or electron transfer, depending on the type of metals. The fluorescence quenching of Trp side chain by 3d metal ions can be ascribed to through-space d-π interactions. While the fluorescence titration was capable of illuminating a two-component energetic model, clean isosbestic/isodichroic points in the CD titration spectra indicated that the metallo-constructs, such as Cu(2+)-EWH complex, fold thermodynamically by means of a two-state equilibrium. Further, the metal-ion dependence of Trp conformational variation in the modular architecture of metal-bound scaffolds was evidenced unambiguously by the CD spectra and supported by MMFF calculations; both were capable of distinguishing between the coordination geometry and the preference for metal binding mode. The study thus helps understand how aromatic rings around metal-sites have unique capabilities through the control of the spatiotemporal distribution of noncovalent interaction elements to achieve diverse chemical functionality.

The Universal Stellar Mass-Stellar Metallicity Relation for Dwarf Galaxies

NASA Astrophysics Data System (ADS)

Kirby, Evan N.; Cohen, Judith G.; Guhathakurta, Puragra; Cheng, Lucy; Bullock, James S.; Gallazzi, Anna

2013-12-01

We present spectroscopic metallicities of individual stars in seven gas-rich dwarf irregular galaxies (dIrrs), and we show that dIrrs obey the same mass-metallicity relation as the dwarf spheroidal (dSph) satellites of both the Milky Way and M31: Z_* \\propto M_*^{0.30+/- 0.02}. The uniformity of the relation is in contradiction to previous estimates of metallicity based on photometry. This relationship is roughly continuous with the stellar mass-stellar metallicity relation for galaxies as massive as M * = 1012 M ⊙. Although the average metallicities of dwarf galaxies depend only on stellar mass, the shapes of their metallicity distributions depend on galaxy type. The metallicity distributions of dIrrs resemble simple, leaky box chemical evolution models, whereas dSphs require an additional parameter, such as gas accretion, to explain the shapes of their metallicity distributions. Furthermore, the metallicity distributions of the more luminous dSphs have sharp, metal-rich cut-offs that are consistent with the sudden truncation of star formation due to ram pressure stripping. The data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation.

Evaluation of statistical distributions to analyze the pollution of Cd and Pb in urban runoff.

PubMed

Toranjian, Amin; Marofi, Safar

2017-05-01

Heavy metal pollution in urban runoff causes severe environmental damage. Identification of these pollutants and their statistical analysis is necessary to provide management guidelines. In this study, 45 continuous probability distribution functions were selected to fit the Cd and Pb data in the runoff events of an urban area during October 2014-May 2015. The sampling was conducted from the outlet of the city basin during seven precipitation events. For evaluation and ranking of the functions, we used the goodness of fit Kolmogorov-Smirnov and Anderson-Darling tests. The results of Cd analysis showed that Hyperbolic Secant, Wakeby and Log-Pearson 3 are suitable for frequency analysis of the event mean concentration (EMC), the instantaneous concentration series (ICS) and instantaneous concentration of each event (ICEE), respectively. In addition, the LP3, Wakeby and Generalized Extreme Value functions were chosen for the EMC, ICS and ICEE related to Pb contamination.

Optimum Distribution of Metal Particles in the Solid-Propellant Charge in the Approximation of a One-Dimensional Flow Field in a Cylindrical Channel

NASA Astrophysics Data System (ADS)

Min'kov, L. L.; Shrager, É. R.

2015-03-01

A study has been made of ways of optimum distribution of particles of dispersed metal in the solid-propellant charge with a cylindrical central channel, which is firmly fastened to the case. The efficiency of combustion of this metal has been analyzed. Consideration has been given to the influence of the dynamic nonequilibrium of two-phase flow on the optimum distribution of metal particles in the indicated charge in the approximation of one-dimensionality of the flow field.

An Expanding Range of Functions for the Copper Chaperone/Antioxidant Protein Atox1

PubMed Central

Hatori, Yuta

2013-01-01

Abstract Significance: Antioxidant protein 1 (Atox1 in human cells) is a copper chaperone for the copper export pathway with an essential role in cellular copper distribution. In vitro, Atox1 binds and transfers copper to the copper-transporting ATPases, stimulating their catalytic activity. Inactivation of Atox1 in cells inhibits maturation of secreted cuproenzymes as well as copper export from cells. Recent Advances: Accumulating data suggest that cellular functions of Atox1 are not limited to its copper-trafficking role and may include storage of labile copper, modulation of transcription, and antioxidant defense. The conserved metal binding site of Atox1, CxGC, differs from the metal-binding sites of copper-transporting ATPases and has a physiologically relevant redox potential that equilibrates with the GSH:GSSG pair. Critical Issues: Tight relationship appears to exist between intracellular copper levels and glutathione (GSH) homeostasis. The biochemical properties of Atox1 place it at the intersection of cellular networks that regulate copper distribution and cellular redox balance. Mechanisms through which Atox1 facilitates copper export and contributes to oxidative defense are not fully understood. Future Directions: The current picture of cellular redox homeostasis and copper physiology will be enhanced by further mechanistic studies of functional interactions between the GSH:GSSG pair and copper-trafficking machinery. Antioxid. Redox Signal. 19, 945–957. PMID:23249252

Spatial distribution of heavy metals in surficial sediments from Guanabara Bay: Rio de Janeiro, Brazil

NASA Astrophysics Data System (ADS)

Neto, José Antônio Baptista; Gingele, Franz Xaver; Leipe, Thomas; Brehme, Isa

2006-04-01

Ninety-two surface sediment samples were collected in Guanabara Bay, one of the most prominent urban bays in SE Brazil, to investigate the spatial distribution of anthropogenic pollutants. The concentrations of heavy metals, organic carbon and particle size were examined in all samples. Large spatial variations of heavy metals and particle size were observed. The highest concentrations of heavy metals were found in the muddy sediments from the north western region of the bay near the main outlets of the most polluted rivers, municipal waste drainage systems and one of the major oil refineries. Another anomalous concentration of metals was found adjacent to Rio de Janeiro Harbour. The heavy metal concentrations decrease to the northeast, due to intact rivers and the mangrove systems in this area, and to the south where the sand fraction and open-marine processes dominate. The geochemical normalization of metal data to Li or Al has also demonstrated that the anthropogenic input of heavy metals have altered the natural sediment heavy metal distribution.

[Spatial variability and evaluation of soil heavy metal contamination in the urban-transect of Shanghai].

PubMed

Liu, Yun-Long; Zhang, Li-Jia; Han, Xiao-Fei; Zhuang, Teng-Fei; Shi, Zhen-Xiang; Lu, Xiao-Zhe

2012-02-01

Soil heavy metal concentrations along the typical urban-transect in Shanghai were analyzed to indicate the effect of urbanization and industrialization on soil environment quality. Spatial variation structure and distribution of 5 heavy metals (Cu, Cr, Mn, Pb and Zn) in the top soil of urban-transect were analyzed. The single pollution index and the composite pollution index were used to evaluate the soil heavy metal pollution. The results showed that the average concentrations of the Cu, Pb, Zn, Cr, Mn were 27.80, 28.86, 99.36, 87.72, 556.97 mg x kg(-1), respectively. Cu, Cr, Mn, Pb and Zn were medium in variability, Mn was distributed lognormally, while Cu, Cr, Pb and Zn were distributed normally. The results of semivariance analysis showed that Mn was fit for the exponential model, Cr, Pb, Cu and Zn were fit for the linear model. The spatial distribution maps of heavy metal content of the topsoil in this city-transect were produced by means of the universal kriging interpolation. Cu was spatially distributed in ribbon, Cr and Mn were distributed in island, while the spatial distribution of Pb and Zn showed the mixed characteristic of ribbon and island. With the result of soil pollution evaluation, it showed that the pollution of Cr, Zn and Pb was relatively severe. Cr, Zn, Pb, Mn and Cu were significantly correlated, and heavy metal co-contamination existed in soil. Difference of soil heavy metals pollution along "Urban-suburban-rural" was obvious, the special variation of heavy metal concentrations in the soil closely related to the degree of industrialization and urbanization of the city.

Zinc: health effects and research priorities for the 1990s.

PubMed Central

Walsh, C T; Sandstead, H H; Prasad, A S; Newberne, P M; Fraker, P J

1994-01-01

This review critically summarizes the literature on the spectrum of health effects of zinc status, ranging from symptoms of zinc deficiency to excess exposure. Studies on zinc intake are reviewed in relation to optimum requirements as a function of age and sex. Current knowledge on the biochemical properties of zinc which are critical to the essential role of this metal in biological systems is summarized. Dietary and physiological factors influencing the bioavailability and utilization of zinc are considered with special attention to interactions with iron and copper status. The effects of zinc deficiency and toxicity are reviewed with respect to specific organs, immunological and reproductive function, and genotoxicity and carcinogenicity. Finally, key questions are identified where research is needed, such as the risks to human health of altered environmental distribution of zinc, assessment of zinc status in humans, effects of zinc status in relation to other essential metals on immune function, reproduction, neurological function, and the cardiovascular system, and mechanistic studies to further elucidate the biological effects of zinc at the molecular level. PMID:7925188

Native and engineered sensors for Ca2+ and Zn2+: lessons from calmodulin and MTF1.

PubMed

Carpenter, Margaret C; Palmer, Amy E

2017-05-09

Ca 2+ and Zn 2+ dynamics have been identified as important drivers of physiological processes. In order for these dynamics to encode function, the cell must have sensors that transduce changes in metal concentration to specific downstream actions. Here we compare and contrast the native metal sensors: calmodulin (CaM), the quintessential Ca 2+ sensor and metal-responsive transcription factor 1 (MTF1), a candidate Zn 2+ sensor. While CaM recognizes and modulates the activity of hundreds of proteins through allosteric interactions, MTF1 recognizes a single DNA motif that is distributed throughout the genome regulating the transcription of many target genes. We examine how the different inorganic chemistries of these two metal ions may shape these different mechanisms transducing metal ion concentration into changing physiologic activity. In addition to native metal sensors, scientists have engineered sensors to spy on the dynamic changes of metals in cells. The inorganic chemistry of the metals shapes the possibilities in the design strategies of engineered sensors. We examine how different strategies to tune the affinities of engineered sensors mirror the strategies nature developed to sense both Ca 2+ and Zn 2+ in cells. © 2017 The Author(s). Published by Portland Press Limited on behalf of the Biochemical Society.

Metal-ion interactions and the structural organization of Sepia eumelanin.

PubMed

Liu, Yan; Simon, John D

2005-02-01

The structural organization of melanin granules isolated from ink sacs of Sepia officinalis was examined as a function of metal ion content by scanning electron microscopy and atomic force microscopy. Exposing Sepia melanin granules to ethelenediaminetetraacetic acid (EDTA) solution or to metal salt solutions changed the metal content in the melanin, but did not alter granular morphology. Thus ionic forces between the organic components and metal ions in melanin are not required to sustain the natural morphology once the granule is assembled. However, when aqueous suspensions of Sepia melanin granules of varying metal content are ultra-sonicated, EDTA-washed and Fe-saturated melanin samples lose material to the solution more readily than the corresponding Ca(II) and Mg(II)-loaded samples. The solubilized components are found to be 5,6-dihydroxyindole-2-carboxylic acid (DHICA)-rich constituents. Associated with different metal ions, Na(I), Ca(II) and Mg(II) or Fe(III), these DHICA-rich entities form distinct two-dimensional aggregation structures when dried on the flat surface of mica. The data suggest multiply-charged ions play an important role in assisting or templating the assembly of the metal-free organic components to form the three-dimensional substructure distributed along the protein scaffold within the granule.

A sputtering derived atomic oxygen source for studying fast atom reactions

NASA Technical Reports Server (NTRS)

Ferrieri, Richard A.; Yung, Y. Chu; Wolf, Alfred P.

1987-01-01

A technique for the generation of fast atomic oxygen was developed. These atoms are created by ion beam sputtering from metal oxide surfaces. Mass resolved ion beams at energies up to 60 KeV are produced for this purpose using a 150 cm isotope separator. Studies have shown that particles sputtered with 40 KeV Ar(+) on Ta2O5 were dominantly neutral and exclusively atomic. The atomic oxygen also resided exclusively in its 3P ground state. The translational energy distribution for these atoms peaked at ca 7 eV (the metal-oxygen bond energy). Additional measurements on V2O5 yielded a bimodal distribution with the lower energy peak at ca 5 eV coinciding reasonably well with the metal-oxygen bond energy. The 7 eV source was used to investigate fast oxygen atom reactions with the 2-butene stereoisomers. Relative excitation functions for H-abstraction and pi-bond reaction were measured with trans-2-butene. The abstraction channel, although of minor relative importance at thermal energy, becomes comparable to the addition channel at 0.9 eV and dominates the high-energy regime. Structural effects on the specific channels were also found to be important at high energy.

Templated dewetting: designing entirely self-organized platforms for photocatalysis.

PubMed

Altomare, Marco; Nguyen, Nhat Truong; Schmuki, Patrik

2016-12-01

Formation and dispersion of metal nanoparticles on oxide surfaces in site-specific or even arrayed configuration are key in various technological processes such as catalysis, photonics, electrochemistry and for fabricating electrodes, sensors, memory devices, and magnetic, optical, and plasmonic platforms. A crucial aspect towards an efficient performance of many of these metal/metal oxide arrangements is a reliable fabrication approach. Since the early works on graphoepitaxy in the 70s, solid state dewetting of metal films on patterned surfaces has been much explored and regarded as a most effective tool to form defined arrays of ordered metal particles on a desired substrate. While templated dewetting has been studied in detail, particularly from a mechanistic perspective on lithographically patterned Si surfaces, the resulting outstanding potential of its applications on metal oxide semiconductors, such as titania, has received only limited attention. In this perspective we illustrate how dewetting and particularly templated dewetting can be used to fabricate highly efficient metal/TiO 2 photocatalyst assemblies e.g. for green hydrogen evolution. A remarkable advantage is that the synthesis of such photocatalysts is completely based on self-ordering principles: anodic self-organized TiO 2 nanotube arrays that self-align to a highest degree of hexagonal ordering are an ideal topographical substrate for a second self-ordering process, that is, templated-dewetting of sputter-deposited metal thin films. The controllable metal/semiconductor coupling delivers intriguing features and functionalities. We review concepts inherent to dewetting and particularly templated dewetting, and outline a series of effective tools that can be synergistically interlaced to reach fine control with nanoscopic precision over the resulting metal/TiO 2 structures (in terms of e.g. high ordering, size distribution, site specific placement, alloy formation) to maximize their photocatalytic efficiency. These processes are easy to scale up and have a high throughput and great potential to be applied to fabricate not only (photo)catalytic materials but also a large palette of other functional nanostructured elements and devices.

Templated dewetting: designing entirely self-organized platforms for photocatalysis

PubMed Central

Altomare, Marco; Nguyen, Nhat Truong

2016-01-01

Formation and dispersion of metal nanoparticles on oxide surfaces in site-specific or even arrayed configuration are key in various technological processes such as catalysis, photonics, electrochemistry and for fabricating electrodes, sensors, memory devices, and magnetic, optical, and plasmonic platforms. A crucial aspect towards an efficient performance of many of these metal/metal oxide arrangements is a reliable fabrication approach. Since the early works on graphoepitaxy in the 70s, solid state dewetting of metal films on patterned surfaces has been much explored and regarded as a most effective tool to form defined arrays of ordered metal particles on a desired substrate. While templated dewetting has been studied in detail, particularly from a mechanistic perspective on lithographically patterned Si surfaces, the resulting outstanding potential of its applications on metal oxide semiconductors, such as titania, has received only limited attention. In this perspective we illustrate how dewetting and particularly templated dewetting can be used to fabricate highly efficient metal/TiO2 photocatalyst assemblies e.g. for green hydrogen evolution. A remarkable advantage is that the synthesis of such photocatalysts is completely based on self-ordering principles: anodic self-organized TiO2 nanotube arrays that self-align to a highest degree of hexagonal ordering are an ideal topographical substrate for a second self-ordering process, that is, templated-dewetting of sputter-deposited metal thin films. The controllable metal/semiconductor coupling delivers intriguing features and functionalities. We review concepts inherent to dewetting and particularly templated dewetting, and outline a series of effective tools that can be synergistically interlaced to reach fine control with nanoscopic precision over the resulting metal/TiO2 structures (in terms of e.g. high ordering, size distribution, site specific placement, alloy formation) to maximize their photocatalytic efficiency. These processes are easy to scale up and have a high throughput and great potential to be applied to fabricate not only (photo)catalytic materials but also a large palette of other functional nanostructured elements and devices. PMID:28567258

Heavy metal levels in Nucella lapillus (gastropoda: prosobranchia) from sites with normal and penis-bearing females from New England

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, E.R. III; Pondick, J.S.

1984-11-01

Pseudohermaphroditism, as manifested by reproductively normal females possessing non-functioning penises, has been reported for more than thirty species of dioecious neogastropods. This anomaly was shown to be unrelated to age or parasitism, but the geographic distribution of this phenomenon indicated that it was environmentally induced rather than genetically controlled. In a survey of N. lapillus populations along the New England Coast, Pondick found abnormal females at sites directly under the influence of industrial discharges, sewage effluent, or vessel-related activities. Histological sections revealed the presence of a penial duct. The purpose of this study was to determine if there were differencesmore » in metal levels in the snail populations studied by Pondick, with particular attention to metals associated with boating activity.« less

Design and Characterisation of Metallic Glassy Alloys of High Neutron Shielding Capability

NASA Astrophysics Data System (ADS)

Khong, J. C.; Daisenberger, D.; Burca, G.; Kockelmann, W.; Tremsin, A. S.; Mi, J.

2016-11-01

This paper reports the design, making and characterisation of a series of Fe-based bulk metallic glass alloys with the aim of achieving the combined properties of high neutron absorption capability and sufficient glass forming ability. Synchrotron X-ray diffraction and pair distribution function methods were used to characterise the crystalline or amorphous states of the samples. Neutron transmission and macroscopic attenuation coefficients of the designed alloys were measured using energy resolved neutron imaging method and the very recently developed microchannel plate detector. The study found that the newly designed alloy (Fe48Cr15Mo14C15B6Gd2 with a glass forming ability of Ø5.8 mm) has the highest neutron absorption capability among all Fe-based bulk metallic glasses so far reported. It is a promising material for neutron shielding applications.

Design and Characterisation of Metallic Glassy Alloys of High Neutron Shielding Capability.

PubMed

Khong, J C; Daisenberger, D; Burca, G; Kockelmann, W; Tremsin, A S; Mi, J

2016-11-16

This paper reports the design, making and characterisation of a series of Fe-based bulk metallic glass alloys with the aim of achieving the combined properties of high neutron absorption capability and sufficient glass forming ability. Synchrotron X-ray diffraction and pair distribution function methods were used to characterise the crystalline or amorphous states of the samples. Neutron transmission and macroscopic attenuation coefficients of the designed alloys were measured using energy resolved neutron imaging method and the very recently developed microchannel plate detector. The study found that the newly designed alloy (Fe 48 Cr 15 Mo 14 C 15 B 6 Gd 2 with a glass forming ability of Ø5.8 mm) has the highest neutron absorption capability among all Fe-based bulk metallic glasses so far reported. It is a promising material for neutron shielding applications.

Visible light focusing flat lenses based on hybrid dielectric-metal metasurface reflector-arrays

PubMed Central

Fan, Qingbin; Huo, Pengcheng; Wang, Daopeng; Liang, Yuzhang; Yan, Feng; Xu, Ting

2017-01-01

Conventional metasurface reflector-arrays based on metallic resonant nanoantenna to control the wavefront of light for focusing always suffer from strong ohmic loss at optical frequencies. Here, we overcome this challenge by constructing a non-resonant, hybrid dielectric-metal configuration consisting of TiO2 nanofins associated with an Ag reflector substrate that provides a broadband response and high polarization conversion efficiency in the visible range. A reflective flat lens based on this configuration shows an excellent focusing performance with the spot size close to the diffraction limit. Furthermore, by employing the superimposed phase distribution design to manipulate the wavefront of the reflected light, various functionalities, such as multifocal and achromatic focusing, are demonstrated for the flat lenses. Such a reflective flat lens will find various applications in visible light imaging and sensing systems. PMID:28332611

Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: The Ti 4O 7 Magneli phase

DOE PAGES

Benali, Anouar; Shulenburger, Luke; Krogel, Jaron T.; ...

2016-06-07

The Magneli phase Ti 4O 7 is an important transition metal oxide with a wide range of applications because of its interplay between charge, spin, and lattice degrees of freedom. At low temperatures, it has non-trivial magnetic states very close in energy, driven by electronic exchange and correlation interactions. We have examined three low- lying states, one ferromagnetic and two antiferromagnetic, and calculated their energies as well as Ti spin moment distributions using highly accurate Quantum Monte Carlo methods. We compare our results to those obtained from density functional theory- based methods that include approximate corrections for exchange and correlation.more » Our results confirm the nature of the states and their ordering in energy, as compared with density-functional theory methods. However, the energy differences and spin distributions differ. Here, a detailed analysis suggests that non-local exchange-correlation functionals, in addition to other approximations such as LDA+U to account for correlations, are needed to simultaneously obtain better estimates for spin moments, distributions, energy differences and energy gaps.« less

Process for producing metal compounds from graphite oxide

NASA Technical Reports Server (NTRS)

Hung, Ching-Cheh (Inventor)

2000-01-01

A process for providing elemental metals or metal oxides distributed on a carbon substrate or self-supported utilizing graphite oxide as a precursor. The graphite oxide is exposed to one or more metal chlorides to form an intermediary product comprising carbon, metal, chloride, and oxygen This intermediary product can be flier processed by direct exposure to carbonate solutions to form a second intermediary product comprising carbon, metal carbonate, and oxygen. Either intermediary product may be further processed: a) in air to produce metal oxide; b) in an inert environment to produce metal oxide on carbon substrate; c) in a reducing environment to produce elemental metal distributed on carbon substrate. The product generally takes the shape of the carbon precursor.

Process for Producing Metal Compounds from Graphite Oxide

NASA Technical Reports Server (NTRS)

Hung, Ching-Cheh (Inventor)

2000-01-01

A process for providing elemental metals or metal oxides distributed on a carbon substrate or self-supported utilizing graphite oxide as a precursor. The graphite oxide is exposed to one or more metal chlorides to form an intermediary product comprising carbon. metal. chloride. and oxygen This intermediary product can be flier processed by direct exposure to carbonate solutions to form a second intermediary product comprising carbon. metal carbonate. and oxygen. Either intermediary product may be further processed: a) in air to produce metal oxide: b) in an inert environment to produce metal oxide on carbon substrate: c) in a reducing environment. to produce elemental metal distributed on carbon substrate. The product generally takes the shape of the carbon precursor.

Pair distribution function (PDF) analysis of mesoporous α-Fe2O3 and Cr2O3.

PubMed

Hill, Adrian H; Allieta, Mattia

2013-06-14

We have measured atomic pair distribution functions of novel mesoporous metal oxides, α-Fe2O3 and Cr2O3. These have an ordered pore mosaic as well as crystalline structure within the pore walls, making them an interesting class of materials to characterise. Comparison of "bulk" and mesoporous data sets has allowed an estimate of long range structural coherence to be derived; ≈125 Å and ≈290 Å for α-Fe2O3 and Cr2O3 respectively. Further "box-car" analysis has shown that above ≈40 Å both mesoporous samples deviate greatly from their bulk counterparts. This is attributed to the pores of the mesoporous structure creating voids in the pair-correlations, disrupting long range order.

Study of water-oil emulsion combustion in large pilot power plants for fine particle matter emission reduction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Allouis, C.; Beretta, F.; L'Insalata, A.

2007-04-15

The combustion of heavy fuel oil for power generation is a great source of carbonaceous and inorganic particle emissions, even though the combustion technologies and their efficiency are improving. The information about the size distribution function of the particles originated by trace metals present into the fuels is not adequate. In this paper, we focused our attention the influence of emulsion oil-water on the larger distribution mode of both the carbonaceous and metallic particles. Isokinetic sampling was performed at the exhausts of flames of a low-sulphur content heavy oil and its emulsion with water produced in two large pilot plants.more » The samples were size-segregated by mean of an 8-stages Andersen impactor. Further investigation performed on the samples using electronic microscopy (SEM) coupled with X-ray analysis (EDX) evidenced the presence of solid spherical particles, plerosphere, with typical dimensions ranging between 200 nm and 2-3 {mu}m, whose atomic composition contains a large amount of the trace metals present in the parent oils (Fe, V, Ni, etc.). EDX analyses revealed that the metal concentration increases as the plerosphere dimension decreases. We also observed that the use of emulsion slightly reduce the emission of fine particles (D{sub 50} < 8 {mu}m) in the large scale plant. (author)« less

Siderophore production and facilitated uptake of iron plutonium in p. putida.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boukhalfa, H.; Lack, J. G.; Reilly, S. D.

2003-01-01

Bioremediation is a very attractive alternative for restoration of contaminated soil and ground water . This is particularly true for radionuclide contamination, which tends to be low in concentration and distributed over large surface areas . Microorganisms, through their natural metabolism, produce a large variety of organic molecules of different size and functionality . These molecules interact with contaminants present in the microbe's environment . Through these interactions bio-molecules can solubilize, oxidize, reduce or precipitate major metal contaminant in soils and ground water . We are studying these interaction for actinides and common soil subsurface bacteria . One focus hasmore » been on siderophores, small molecules that have great affinity for hard metal ions, and their potential to affect the distribution and mobility of actinide contaminants . The metal siderophores assembly can be recognized and taken up by micro-organisms through their interference with their iron uptake system . The first step in the active iron transport consists of Fe(III)-siderophore recognition by membrane receptors, which requires specific stereo orientation of the Fe(III)-siderophore complex . Recent investigations have shown that siderophores can form strong complexes with a large variety of toxic metals and may mediate their introduction inside the cell . We have previously shown that a Puhydroxamate siderophore assembly is recognized and taken up by the Microbacterium flavescens (JG-9). However, it is not clear if Pu-siderophore assemblies of other siderophores are also recognized.« less

Sensing based on surface-enhanced Raman scattering using self-forming ZnO nanoarrays coated with gold as substrates

NASA Astrophysics Data System (ADS)

Tang, Feng; Adam, Pierre-Michel; Rogers, David J.; Sandana, Vinod E.; Bove, Philippe; Teherani, Ferechteh H.

2018-03-01

Surface-Enhanced Raman spectroscopy (SERS) is a widely used technique adopted in both academia and industry for the detection of trace quantities of Raman active molecules. This is usually accomplished by functionalizing distributions of plasmonic metal nanoparticles with the analyte molecules. Recently metal-coated nanostructures have been investigated as alternatives to dispersions of metal nanoparticles in order to avoid clustering and homogeneity/reproducibility issues. In this paper, several samples of Au-coated ZnO nanoarrays are adopted as SERS substrates in order to investigate the molecular sensing capacity for methylene blue (MB) molecules. Self-forming ZnO nanoarrays were grown on both c-sapphire and silicon substrates by pulsed laser deposition. The nanoarrays were then coated with 30 nm of gold using thermal evaporation and the SERS signals of MB functionalized samples were obtained with a Raman microspectrometer. The ratio of SERS intensity to that of an MB functionalized glass substrate (ISERS/IRaman) was calculated based on the averaged SERS signals. A relatively good within-wafer homogeneity of the enhancement effect was found with ISERS/IRaman values as high as 64.2 for Au-coated nano ZnO grown on silicon substrates. The experimental results show that the Au-coated ZnO nanoarrays can be excellent SERS substrates for molecular/chemical analyte sensing.

Multi-spectral Metasurface for Different Functional Control of Reflection Waves.

PubMed

Huang, Cheng; Pan, Wenbo; Ma, Xiaoliang; Luo, Xiangang

2016-03-22

Metasurface have recently generated much interest due to its strong manipulation of electromagnetic wave and its easy fabrication compared to bulky metamaterial. Here, we propose the design of a multi-spectral metasurface that can achieve beam deflection and broadband diffusion simultaneously at two different frequency bands. The metasurface is composed of two-layered metallic patterns backed by a metallic ground plane. The top-layer metasurface utilizes the cross-line structures with two different dimensions for producing 0 and π reflection phase response, while the bottom-layer metasurface is realized by a topological morphing of the I-shaped patterns for creating the gradient phase distribution. The whole metasurface is demonstrated to independently control the reflected waves to realize different functions at two bands when illuminated by a normal linear-polarized wave. Both simulation and experimental results show that the beam deflection is achieved at K-band with broadband diffusion at X-Ku band.

Multi-spectral Metasurface for Different Functional Control of Reflection Waves

PubMed Central

Huang, Cheng; Pan, Wenbo; Ma, Xiaoliang; Luo, Xiangang

2016-01-01

Metasurface have recently generated much interest due to its strong manipulation of electromagnetic wave and its easy fabrication compared to bulky metamaterial. Here, we propose the design of a multi-spectral metasurface that can achieve beam deflection and broadband diffusion simultaneously at two different frequency bands. The metasurface is composed of two-layered metallic patterns backed by a metallic ground plane. The top-layer metasurface utilizes the cross-line structures with two different dimensions for producing 0 and π reflection phase response, while the bottom-layer metasurface is realized by a topological morphing of the I-shaped patterns for creating the gradient phase distribution. The whole metasurface is demonstrated to independently control the reflected waves to realize different functions at two bands when illuminated by a normal linear-polarized wave. Both simulation and experimental results show that the beam deflection is achieved at K-band with broadband diffusion at X-Ku band. PMID:27001206

The Human Natural Killer Cell Immune Synapse

NASA Astrophysics Data System (ADS)

Davis, Daniel M.; Chiu, Isaac; Fassett, Marlys; Cohen, George B.; Mandelboim, Ofer; Strominger, Jack L.

1999-12-01

Inhibitory killer Ig-like receptors (KIR) at the surface of natural killer (NK) cells induced clustering of HLA-C at the contacting surface of target cells. In this manner, inhibitory immune synapses were formed as human NK cells surveyed target cells. At target/NK cell synapses, HLA-C/KIR distributed into rings around central patches of intercellular adhesion molecule-1/lymphocyte function-associated antigen-1, the opposite orientation to mature murine T cell-activating synapses. This organization of protein was stable for at least 20 min. Cells could support multiple synapses simultaneously, and clusters of HLA-C moved as NK cells crawled over target cells. Clustering required a divalent metal cation, explaining how metal chelators inhibit KIR function. Surprisingly, however, formation of inhibitory synapses was unaffected by ATP depletion and the cytoskeletal inhibitors, colchicine and cytochalsins B and D. Clearly, supramolecular organization within plasma membranes is critical for NK cell immunosurveillance.

Assessment of Heavy Metal Pollution in Sediments of Inflow Rivers to Lake Taihu, China.

PubMed

Niu, Yong; Niu, Yuan; Pang, Yong; Yu, Hui

2015-11-01

Lake Taihu, the third-largest freshwater body in China, has many functions, including drinking water supply, flood control, cultivation, navigation, and tourism. In this study, sediment samples were collected at 31 sites from 11 inflow rivers in 2012, to investigate the distribution and concentration of heavy metals copper (Cu), zinc (Zn), lead (Pb), nickel (Ni), and chromium (Cr), and to assess their potential ecological risk. The highest mean concentration was found for Zn, followed by Cu, Cr, Pb, and Ni. Generally, heavy metal pollution was more serious in Wu Jingang River and Caoqiao River, probably because they receive large amounts of wastewater from various local industrial enterprises. The potential ecological risk values of the heavy metals were larger than 120 in more than 25.8% of the sediment samples, indicating a very high risk. The largest ecological risk was due to copper. Furthermore, the results of a principal component analysis and subsequent analysis of variance showed that heavy metal concentrations in the sediment of inflow rivers were higher than those of the lake, which created a large hazard for the aquatic ecosystems of Lake Taihu.

Post-processing of metal matrix composites by friction stir processing

NASA Astrophysics Data System (ADS)

Sharma, Vipin; Singla, Yogesh; Gupta, Yashpal; Raghuwanshi, Jitendra

2018-05-01

In metal matrix composites non-uniform distribution of reinforcement particles resulted in adverse affect on the mechanical properties. It is of great interest to explore post-processing techniques that can eliminate particle distribution heterogeneity. Friction stir processing is a relatively newer technique used for post-processing of metal matrix composites to improve homogeneity in particles distribution. In friction stir processing, synergistic effect of stirring, extrusion and forging resulted in refinement of grains, reduction of reinforcement particles size, uniformity in particles distribution, reduction in microstructural heterogeneity and elimination of defects.

Molecular Level Characterization of the Structure and Interactions in Peptide-Functionalized Metal-Organic Frameworks.

PubMed

Todorova, Tanya K; Rozanska, Xavier; Gervais, Christel; Legrand, Alexandre; Ho, Linh N; Berruyer, Pierrick; Lesage, Anne; Emsley, Lyndon; Farrusseng, David; Canivet, Jérôme; Mellot-Draznieks, Caroline

2016-11-07

We use density functional theory, newly parameterized molecular dynamics simulations, and last generation 15 N dynamic nuclear polarization surface enhanced solid-state NMR spectroscopy (DNP SENS) to understand graft-host interactions and effects imposed by the metal-organic framework (MOF) host on peptide conformations in a peptide-functionalized MOF. Focusing on two grafts typified by MIL-68-proline (-Pro) and MIL-68-glycine-proline (-Gly-Pro), we identified the most likely peptide conformations adopted in the functionalized hybrid frameworks. We found that hydrogen bond interactions between the graft and the surface hydroxyl groups of the MOF are essential in determining the peptides conformation(s). DNP SENS methodology shows unprecedented signal enhancements when applied to these peptide-functionalized MOFs. The calculated chemical shifts of selected MIL-68-NH-Pro and MIL-68-NH-Gly-Pro conformations are in a good agreement with the experimentally obtained 15 N NMR signals. The study shows that the conformations of peptides when grafted in a MOF host are unlikely to be freely distributed, and conformational selection is directed by strong host-guest interactions. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Trace metal contamination in surface sediments of intertidal zone from Qinhuangdao, China, revealed by geochemical and magnetic approaches: Distribution, sources, and health risk assessment.

PubMed

Zhu, Zongmin; Xue, Junhui; Deng, Yuzhen; Chen, Lin; Liu, Jiangfeng

2016-04-15

Based on geochemical and magnetic approaches, the distribution, sources, and health risk of trace metals in surface sediments from a seashore tourist city were investigated. A significant correlation was found between magnetic susceptibility (χ) and trace metals, which suggested that levels of trace metals in the sediments can be effectively depicted by the magnetic approach. The spatial distribution of χ and trace metals matched well with the city layout with relatively higher values being found in the port and busy tourist areas. This result, together with enrichment factors (EFs) and Tomlinson pollution load index (PLI) of metals, suggested that the influence of human activities on the coastal environment was noticeable. Principal component analysis (PCA) indicated that trace metals in the sediments were derived from both anthropogenic and natural sources. Noncarcinogenic risk assessment showed that there was no potential health risk of exposure to metals by means of ingestion or inhalation. Copyright © 2016 Elsevier Ltd. All rights reserved.

Investigation of low-frequency-oscillating water flow in metal foam with 10 pores per inch

NASA Astrophysics Data System (ADS)

Bağcı, Ö.; Arbak, A.; De Paepe, M.; Dukhan, N.

2018-01-01

In this study, oscillating water flow in metal foam with open cells is investigated experimentally. The metal foam sample has a porosity of 88% and 10 pores. The water was oscillated in the test section with three frequencies between 0.116 Hz and 0.348 Hz, which are considered low for water oscillation, and three flow displacements ranging between 74.35 mm and 111.53 mm. The combinations of frequencies of displacements were studied for their impacts of dimensional and non-dimensional pressure loss quantities. To this purpose, friction factor was correlated as a function of kinetic Reynolds number. The same metal foam sample was studied by exposing it to steady-state water flow to investigate its permeability and drag coefficient in low-velocity flow regimes. The friction factor distribution for oscillating flow was found to be over that found for steady state. The outcomes of the study are important for studying heat transfer under the same flow conditions.

Bimetallic Metal-Organic Frameworks for Controlled Catalytic Graphitization of Nanoporous Carbons

PubMed Central

Tang, Jing; Salunkhe, Rahul R.; Zhang, Huabin; Malgras, Victor; Ahamad, Tansir; Alshehri, Saad M.; Kobayashi, Naoya; Tominaka, Satoshi; Ide, Yusuke; Kim, Jung Ho; Yamauchi, Yusuke

2016-01-01

Single metal-organic frameworks (MOFs), constructed from the coordination between one-fold metal ions and organic linkers, show limited functionalities when used as precursors for nanoporous carbon materials. Herein, we propose to merge the advantages of zinc and cobalt metals ions into one single MOF crystal (i.e., bimetallic MOFs). The organic linkers that coordinate with cobalt ions tend to yield graphitic carbons after carbonization, unlike those bridging with zinc ions, due to the controlled catalytic graphitization by the cobalt nanoparticles. In this work, we demonstrate a feasible method to achieve nanoporous carbon materials with tailored properties, including specific surface area, pore size distribution, degree of graphitization, and content of heteroatoms. The bimetallic-MOF-derived nanoporous carbon are systematically characterized, highlighting the importance of precisely controlling the properties of the carbon materials. This can be done by finely tuning the components in the bimetallic MOF precursors, and thus designing optimal carbon materials for specific applications. PMID:27471193

Influence of veneer thickness on residual stress profile in veneering ceramic: measurement by hole-drilling.

PubMed

Mainjot, Amélie K; Schajer, Gary S; Vanheusden, Alain J; Sadoun, Michaël J

2012-02-01

The veneering process of frameworks induces residual stresses and can initiate cracks when combined with functional stresses. The stress distribution within the veneering ceramic as a function of depth is a key factor influencing failure by chipping. This is a well-known problem with Yttria-tetragonal-zirconia-polycrystal based fixed partial dentures. The objective of this study is to investigate the influence of veneer thickness on the stress profile in zirconia- and metal-based structures. The hole-drilling method, often used for engineering measurements, was adapted for use with veneering ceramic. The stress profile was measured in bilayered disc samples of 20 mm diameter, with a 1 mm thick zirconia or metal framework. Different veneering ceramic thicknesses were performed: 1 mm, 1.5 mm, 2 mm, 2.5 mm and 3 mm. All samples exhibited the same type of stress vs. depth profile, starting with compressive at the ceramic surface, decreasing with depth up to 0.5-1.0 mm from the surface, and then becoming compressive again near the framework, except for the 1.5 mm-veneered zirconia samples which exhibited interior tensile stresses. Stresses in the surface of metal samples were not influenced by veneer thickness. Variation of interior stresses at 1.2 mm from the surface in function of veneer thickness was inverted for metal and zirconia samples. Veneer thickness influences in an opposite way the residual stress profile in metal- and in zirconia-based structures. A three-step approach and the hypothesis of the crystalline transformation are discussed to explain the less favorable residual stress development in zirconia samples. Copyright © 2011 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Metal Evolution and TrAnsport in the Large Magellanic Cloud (METAL): Probing Dust Evolution in Star Forming Galaxies

NASA Astrophysics Data System (ADS)

Roman-Duval

2016-10-01

METAL is a large spectroscopic and imaging program with HST dedicated to the study of dust evolution in the Large Magellanic Cloud (LMC). The program will obtain FUV and NUV medium-resolution spectra of 33 massive stars in the LMC with STIS and COS complementing existing archival data to measure gas-phase and dust-phase (depletion) elemental abundances. With these spectra, we will subsequently directly measure the dust composition and abundance as a function of environment (surface density, radiation field, dynamical conditions, such as the proximity of supernova remnants or expanding HI shells). The depletion information will be complemented with dust UV extinction curves (i.e., the UV opacity of dust grains as a function of wavelength) derived from either archival IUE, or new COS and low-resolution STIS spectra acquired as part of this program. Together, the depletions and extinction curves will constrain how the dust abundance and properties (composition, size distribution) vary with environment at Z=0.5Zo. In parallel to the spectroscopic observations, we will obtain WFC3 NUV-NIR imaging to map dust extinction parameters (AV, RV) in the vicinity of our targets and calibrate the far-infrared (FIR) emissivity of dust. Our observations we will improve the accuracy of dust mass and extinction estimates in the local and high-redshift universe by up to an order of magnitude.METAL will complement a Cycle 23 HST/STIS program (GO-13778) focused on dust evolution in the Small Magellanic Cloud (SMC) at Z=0.2Zo, and previously published depletion studies in the Milky Way (Jenkins et al. 2009) to provide a comprehensive view of dust evolution as a function of metallicity.

Exploring the Milky Way halo with SDSS-II SN survey RR Lyrae stars

NASA Astrophysics Data System (ADS)

De Lee, Nathan

This thesis details the creation of a large catalog of RR Lyrae stars, their lightcurves, and their associated photometric and kinematic parameters. This catalog contains 421 RR Lyrae stars with 305 RRab and 116 RRc. Of these, 241 stars have stellar spectra taken with either the Blanco 4m RC spectrograph or the SDSS/SEGUE survey, and in some cases taken by both. From these spectra and photometric methods derived from them, an analysis is conducted of the RR lyrae's distribution, metallicity, kinematics, and photometric properties within the halo. All of these RR Lyrae originate from the SDSS-II Supernova Survey. The SDSS-II SN Survey covers a 2.5 degree equatorial stripe ranging from -60 to +60 degrees in RA. This corresponds to relatively high southern galactic latitudes in the anti-center direction. The full catalog ranges from g 0 magnitude 13 to 20 which covers a distance of 3 to 95 kpc from the sun. Using this sample, we explore the Oosterhoff dichotomy through the D log P method as a function of | Z | distance from the plane. This results in a clear division of the RRab stars into OoI and OoII groups at lower | Z |, but the population becomes dominated by OoI stars at higher | Z |. The idea of a dual halo is explored primarily in the context of radial velocity distributions as a function of | Z |. In particular, V gsr , the radial velocity in the galactic standard of rest, is used as a proxy for V [straight phi] , the cylindrical rotational velocity. This is then compared against a single halo model galaxy, which results in very similar V gsr histograms for both at low to medium | Z |. However, at high | Z | there is a clear separation into two distinct velocity groups for the data without a corresponding separation in the model, suggesting that at least a two-component model for the halo is necessary. The final part of the analysis involves [Fe/H] measurements from both spectra and photometric relations cut in both | Z | and radial velocity. In this case, there is less of a clear change as a function of these cuts, although that may be due to metallicity effects on the shape of the horizontal branch. The metallicity groups may be truncated at both the metal-rich and metal-poor end of the histograms because at those metallicities the horizontal branch stars may occur primarily out of the instability strip, removing them from our sample.

Theory of quantum metal to superconductor transitions in highly conducting systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Spivak, B.

2010-04-06

We derive the theory of the quantum (zero temperature) superconductor to metal transition in disordered materials when the resistance of the normal metal near criticality is small compared to the quantum of resistivity. This can occur most readily in situations in which 'Anderson's theorem' does not apply. We explicitly study the transition in superconductor-metal composites, in an swave superconducting film in the presence of a magnetic field, and in a low temperature disordered d-wave superconductor. Near the point of the transition, the distribution of the superconducting order parameter is highly inhomogeneous. To describe this situation we employ a procedure whichmore » is similar to that introduced by Mott for description of the temperature dependence of the variable range hopping conduction. As the system approaches the point of the transition from the metal to the superconductor, the conductivity of the system diverges, and the Wiedemann-Franz law is violated. In the case of d-wave (or other exotic) superconductors we predict the existence of (at least) two sequential transitions as a function of increasing disorder: a d-wave to s-wave, and then an s-wave to metal transition.« less

Optical and electronic structure description of metal-doped phthalocyanines.

PubMed

Leal, Luciano Almeida; da Cunha, Wiliam Ferreira; Ribeiro Junior, Luiz Antonio; Pereira, Tamires Lima; Blawid, Stefan Michael; de Sousa Junior, Rafael Timóteo; da Silva Filho, Demétrio Antonio

2017-05-01

Phthalocyanines represent a crucial class of organic compounds with high technological appeal. By doping the center of these systems with metals, one obtains the so-called metal-phthalocyanines, whose property of being an effective electron donor allows for potentially interesting uses in organic electronics. In this sense, investigating optical and electronic structure changes in the phthalocyanine profiles in the presence of different metals is of fundamental importance for evaluating the appropriateness of the resulting system as far as these uses are concerned. In the present work, we carry out this kind of effort for phthalocyanines doped with different metals, namely, copper, nickel, and magnesium. Density functional theory was applied to obtain the absorption spectra, and electronic and structural properties of the complexes. Our results suggest that depending on the dopant, a different level of change is achieved. Moreover, electrostatic potential energy mapping shows how the charge distribution can be affected by solar radiation. Our contribution is crucial in describing the best possible candidates for use in different organic photovoltaic applications. Graphical Abstract Representation of meta-phthalocyanine systems. All calculations of this work are based on varying metal position along z axis, considering the z-axis has its zero point matching with the center of phthalocyanine cavityconsidering.

Children with health impairments by heavy metals in an e-waste recycling area.

PubMed

Zeng, Xiang; Xu, Xijin; Boezen, H Marike; Huo, Xia

2016-04-01

E-waste recycling has become a global environmental health issue. Pernicious chemicals escape into the environment due to informal and nonstandard e-waste recycling activities involving manual dismantling, open burning to recover heavy metals and open dumping of residual fractions. Heavy metals derived from electronic waste (e-waste), such as, lead (Pb), cadmium (Cd), chromium (Cr), manganese (Mn), nickel (Ni), mercury (Hg), arsenic (As), copper (Cu), zinc (Zn), aluminum (Al) and cobalt (Co), differ in their chemical composition, reaction properties, distribution, metabolism, excretion and biological transmission. Our previous studies showed that heavy metal exposure have adverse effects on children's health including lower birth weight, lower anogenital distance, lower Apgar scores, lower current weight, lower lung function, lower hepatitis B surface antibody levels, higher prevalence of attention-deficit/hyperactivity disorder, and higher DNA and chromosome damage. Heavy metals influence a number of diverse systems and organs, resulting in both acute and chronic effects on children's health, ranging from minor upper respiratory irritation to chronic respiratory, cardiovascular, nervous, urinary and reproductive disease, as well as aggravation of pre-existing symptoms and disease. These effects of heavy metals on children's health are briefly discussed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Investigation of Heat Transfer and Magnetohydrodynamic Flow in Electroslag Remelting Furnace Using Vibrating Electrode

NASA Astrophysics Data System (ADS)

Wang, Fang; Wang, Qiang; Lou, Yanchun; Chen, Rui; Song, Zhaowei; Li, Baokuan

2016-01-01

A transient three-dimensional (3D) coupled mathematical model has been developed to understand the effect of a vibrating electrode on the electromagnetic, two-phase flow and temperature fields as well as the solidification in the electroslag remelting (ESR) process. With the magnetohydrodynamic model, the Joule heating and Lorentz force, which are the source terms in the energy and momentum equations, are recalculated at each iteration as a function of the phase distribution. The influence of the vibrating electrode on the formation of the metal droplet is demonstrated by the volume of fluid approach. Additionally, the solidification of the metal is modeled by an enthalpy-based technique, in which the mushy zone is treated as a porous medium with porosity equal to the liquid fraction. The present work is the first attempt to investigate the innovative technology of the ESR process with a vibrating electrode by a transient 3D comprehensive model. A reasonable agreement between the experiment and simulation is obtained. The results indicate that the whole process is presented as a periodic activity. When the metal droplets fall from the tip of the electrode, the horizontal component of velocity will generate electrode vibration. This will lead to the distribution variation of the flow field in the slag layer. The variation of temperature distribution occurs regularly and is periodically accompanied by the behavior of the falling metal droplets. With the decreasing vibrating frequency and amplitude, the relative velocity of the electrode and molten slag increase accordingly. The diameter of the molten droplets, the maximum temperature and the depth of the molten pool gradually become smaller, lower and shallower.

Optical properties of MgF2 nano-composite films dispersed with noble metal nanoparticles synthesized by sol-gel method

NASA Astrophysics Data System (ADS)

Wakaki, Moriaki; Soujima, Nobuaki; Shibuya, Takehisa

2015-03-01

Porous MgF2 films synthesized by a sol-gel method exhibit the lowest refractive index among the dielectric optical materials and are the most useful materials for the anti-reflection coatings. On the other hand, surface plasmon resonance (SPR) absorptions of noble metal nanoparticles in various solid matrices have been extensively studied. New functional materials like a SERS (Surface Enhanced Raman Spectroscopy) tips are expected by synthesizing composite materials between porous MgF2 films featured by the network of MgF2 nanoparticles and noble metal nanoparticles introduced within the network. In this study, fundamental physical properties including morphology and optical properties are characterized for these materials to make clear the potential of the composite system. Composite materials of MgF2 films dispersed with noble metal (Ag, Au) nanoparticles were prepared using the sol-gel technique with various annealing temperatures and densities of noble metal nanoparticles. The structural morphology was analyzed by an X-ray diffractometer (XRD) and a scanning electron microscope (SEM). The size and shape distributions of the metal nanoparticles were observed using a transmission electron microscope (TEM). The optical properties of fabricated composite films were characterized by UV-Vis-NIR and FT-IR spectrophotometers. The absorption spectra due to the surface plasmon resonance (SPR) of the metal nanoparticles were analyzed using the dielectric function considering the effective medium approximation, typically Maxwell-Garnett model. The Raman scattering spectra were also studied to check the enhancement effect of specimen dropped on the MgF2: Ag nano-composite films deposited on Si substrate. Enhancement of the Raman intensity of pyridine solution specimen was observed.

New analytical solutions for chemical evolution models: characterizing the population of star-forming and passive galaxies

NASA Astrophysics Data System (ADS)

Spitoni, E.; Vincenzo, F.; Matteucci, F.

2017-03-01

Context. Analytical models of chemical evolution, including inflow and outflow of gas, are important tools for studying how the metal content in galaxies evolves as a function of time. Aims: We present new analytical solutions for the evolution of the gas mass, total mass, and metallicity of a galactic system when a decaying exponential infall rate of gas and galactic winds are assumed. We apply our model to characterize a sample of local star-forming and passive galaxies from the Sloan Digital Sky Survey data, with the aim of reproducing their observed mass-metallicity relation. Methods: We derived how the two populations of star-forming and passive galaxies differ in their particular distribution of ages, formation timescales, infall masses, and mass loading factors. Results: We find that the local passive galaxies are, on average, older and assembled on shorter typical timescales than the local star-forming galaxies; on the other hand, the star-forming galaxies with higher masses generally show older ages and longer typical formation timescales compared than star-forming galaxies with lower masses. The local star-forming galaxies experience stronger galactic winds than the passive galaxy population. Exploring the effect of assuming different initial mass functions in our model, we show that to reproduce the observed mass-metallicity relation, stronger winds are requested if the initial mass function is top-heavy. Finally, our analytical models predict the assumed sample of local galaxies to lie on a tight surface in the 3D space defined by stellar metallicity, star formation rate, and stellar mass, in agreement with the well-known fundamental relation from adopting gas-phase metallicity. Conclusions: By using a new analytical model of chemical evolution, we characterize an ensemble of SDSS galaxies in terms of their infall timescales, infall masses, and mass loading factors. Local passive galaxies are, on average, older and assembled on shorter typical timescales than the local star-forming galaxies. Moreover, the local star-forming galaxies show stronger galactic winds than the passive galaxy population. Finally, we find that the fundamental relation between metallicity, mass, and star formation rate for these local galaxies is still valid when adopting the average galaxy stellar metallicity.

Disentangling the major source areas for an intense aerosol advection in the Central Mediterranean on the basis of Potential Source Contribution Function modeling of chemical and size distribution measurements

NASA Astrophysics Data System (ADS)

Petroselli, Chiara; Crocchianti, Stefano; Moroni, Beatrice; Castellini, Silvia; Selvaggi, Roberta; Nava, Silvia; Calzolai, Giulia; Lucarelli, Franco; Cappelletti, David

2018-05-01

In this paper, we combined a Potential Source Contribution Function (PSCF) analysis of daily chemical aerosol composition data with hourly aerosol size distributions with the aim to disentangle the major source areas during a complex and fast modulating advection event impacting on Central Italy in 2013. Chemical data include an ample set of metals obtained by Proton Induced X-ray Emission (PIXE), main soluble ions from ionic chromatography and elemental and organic carbon (EC, OC) obtained by thermo-optical measurements. Size distributions have been recorded with an optical particle counter for eight calibrated size classes in the 0.27-10 μm range. We demonstrated the usefulness of the approach by the positive identification of two very different source areas impacting during the transport event. In particular, biomass burning from Eastern Europe and desert dust from Sahara sources have been discriminated based on both chemistry and size distribution time evolution. Hourly BT provided the best results in comparison to 6 h or 24 h based calculations.

Energetic, structural and electronic properties of metal vacancies in strained AlN/GaN interfaces.

PubMed

Kioseoglou, J; Pontikis, V; Komninou, Ph; Pavloudis, Th; Chen, J; Karakostas, Th

2015-04-01

AlN/GaN heterostructures have been studied using density-functional pseudopotential calculations yielding the formation energies of metal vacancies under the influence of local interfacial strains, the associated charge distribution and the energies of vacancy-induced electronic states. Interfaces are built normal to the polar <0 0 0 1> direction of the wurtzite structure by joining two single crystals of AlN and GaN that are a few atomic layers thick; thus, periodic boundary conditions generate two distinct heterophase interfaces. We show that the formation energy of vacancies is a function of their distance from the interfaces: the vacancy-interface interaction is found repulsive or attractive, depending on the type of the interface. When the interaction is attractive, the vacancy formation energy decreases with increasing the associated electric charge, and hence the equilibrium vacancy concentration at the interface is greater. This finding can reveal the well-known morphological differences existing between the two types of investigated interfaces. Moreover, we found that the electric charge is strongly localized around the Ga vacancy, while in the case of Al vacancies is almost uniformly distributed throughout the AlN/GaN heterostructure. Crucially, for the applications of heterostructures, metal vacancies introduce deep states in the calculated bandgap at energy levels from 0.5 to 1 eV above the valence band maximum (VBM). It is, therefore, predicted that vacancies could initiate 'green luminescence' i.e. light emission in the energy range of 2.5 eV stemming from electronic transitions between these extra levels, and the conduction band, or energy levels, due to shallow donors.

[The use of polymer gel dosimetry to measure dose distribution around metallic implants].

PubMed

Nagahata, Tomomasa; Yamaguchi, Hajime; Monzen, Hajime; Nishimura, Yasumasa

2014-10-01

A semi-solid polymer dosimetry system using agar was developed to measure the dose distribution close to metallic implants. Dosimetry of heterogeneous fields where electron density markedly varies is often problematic. This prompted us to develop a polymer gel dosimetry technique using agar to measure the dose distribution near substance boundaries. Varying the concentration of an oxygen scavenger (tetra-hydroxymethyl phosphonium chloride) showed the absorbed dose and transverse relaxation rate of the magnetic resonance signal to be linear between 3 and 12 Gy. Although a change in the dosimeter due to oxidization was observed in room air after 24 hours, no such effects were observed in the first 4 hours. The dose distribution around the metal implants was measured using agar dosimetry. The metals tested were a lead rod, a titanium hip joint, and a metallic stent. A maximum 30% dose increase was observed near the lead rod, but only a 3% increase in the absorbed dose was noted near the surface of the titanium hip joint and metallic stent. Semi-solid polymer dosimetry using agar thus appears to be a useful method for dosimetry around metallic substances.

Determination of distributions of Cd, Cu, and Pb concentrations in sediments of a Mexican reservoir to infer their environmental risk.

PubMed

Barceló-Quintal, Icela Dagmar; Solís-Correa, Hugo Eduardo; Avila-Pérez, Pedro; López-Galván, Edgar; Gómez-Salazar, Sergio; García-Albortante, Julisa

2012-07-01

The José Antonio Alzate Dam in the State of Mexico, Mexico, receives wastewaters from domestic, industrial, and agricultural activities through the Lerma River. Chemical and physicochemical characteristics of the water were determined. Sediment has been studied in order to define the importance of its influence on the reservoir's state as a whole. The quantification of the metals, Cd, Cu, and Pb in total forms and the geochemical distribution and the chemical mobility of these metals in sediment have been established using a chemical sequential extraction scheme. The three metals showed a common characteristic, being more abundant in fraction F6 (residual), but the other fractions of the geochemical distribution were variable depending on the metal. First, the contamination level was evaluated with the results of the total metals, using the criteria of EPA, Thomas and Murdoch, and the Ontario Ministry of Environment for sediment in water bodies. Subsequently, the risk was assessed using the same criteria but considering the results of sequential extractions, where the geochemical distribution of each metal allowed a better understanding of metal portions with more influence on the risk, in which Cu and Pb presented low risk, but not Cd.

Correlated Debye model for atomic motions in metal nanocrystals

NASA Astrophysics Data System (ADS)

Scardi, P.; Flor, A.

2018-05-01

The Correlated Debye model for the mean square relative displacement of atoms in near-neighbour coordination shells has been extended to include the effect of finite crystal size. This correctly explains the increase in Debye-Waller coefficient observed for metal nanocrystals. A good match with Molecular Dynamics simulations of Pd nanocrystals is obtained if, in addition to the phonon confinement effect of the finite domain size, proper consideration is also given to the static disorder component caused by the undercoordination of surface atoms. The new model, which addresses the analysis of the Pair Distribution Function and powder diffraction data collected at different temperatures, was preliminarily tested on recently published experimental data on nanocrystalline Pt powders.

Effects of natural factors on the spatial distribution of heavy metals in soils surrounding mining regions.

PubMed

Ding, Qian; Cheng, Gong; Wang, Yong; Zhuang, Dafang

2017-02-01

Various studies have shown that soils surrounding mining areas are seriously polluted with heavy metals. Determining the effects of natural factors on spatial distribution of heavy metals is important for determining the distribution characteristics of heavy metals in soils. In this study, an 8km buffer zone surrounding a typical non-ferrous metal mine in Suxian District of Hunan Province, China, was selected as the study area, and statistical, spatial autocorrelation and spatial interpolation analyses were used to obtain descriptive statistics and spatial autocorrelation characteristics of As, Pb, Cu, and Zn in soil. Additionally, the distributions of soil heavy metals under the influences of natural factors, including terrain (elevation and slope), wind direction and distance from a river, were determined. Layout of sampling sites, spatial changes of heavy metal contents at high elevations and concentration differences between upwind and downwind directions were then evaluated. The following results were obtained: (1) At low elevations, heavy metal concentrations decreased slightly, then increased considerably with increasing elevation. At high elevations, heavy metal concentrations first decreased, then increased, then decreased with increasing elevation. As the slope increased, heavy metal contents increased then decreased. (2) Heavy metal contents changed consistently in the upwind and downwind directions. Heavy metal contents were highest in 1km buffer zone and decreased with increasing distance from the mining area. The largest decrease in heavy metal concentrations was in 2km buffer zone. Perennial wind promotes the transport of heavy metals in downwind direction. (3) The spatial extent of the influence of the river on Pb, Zn and Cu in the soil was 800m. (4) The influence of the terrain on the heavy metal concentrations was greater than that of the wind. These results provide a scientific basis for preventing and mitigating heavy metal soil pollution in areas surrounding mines. Copyright © 2016 Elsevier B.V. All rights reserved.

Solubility of tungsten in a haplobasaltic melt as a function of temperature and oxygen fugacity

NASA Astrophysics Data System (ADS)

Ertel, W.; O'Neill, H. St. C.; Dingwell, D. B.; Spettel, B.

1996-04-01

The solubility of tungsten (W) in a haplobasaltic melt has been determined as a function of oxygen fugacity in the temperature range 1300-1500°C using the mechanically assisted equilibrium technique of Dingwell et al. (1994), and at 1600-1700°C by the wire loop method. Quenched samples were analysed for W by using ICP-AES as well as INAA, and sample major element compositions were checked by electron microprobe. W concentrations ranged from 20 ppm to 17 wt%, and the solution of WO 2 in the melt may be described by Henry's Law up to remarkably high concentrations (e.g., 14 wt% at 1500°C). W dissolves in the melt with a quadrivalent (4+) formal oxidation state over the entire range of oxygen fugacity and temperature investigated. The solubility of W decreases strongly with increasing temperature at constant oxygen fugacity. The solubility data have been used to calculate trace distribution coefficients for W between Fe-rich metal and silicate melt, using literature values for the activity coefficient of W in liquid Fe. Comparison of our data with the distribution coefficients for Mo calculated from the analogous Mo solubility data of Holzheid et al. (1994) shows that the ratio of the metal-silicate distribution coefficient DMomet/sil/ DWmet/sil remains very high (~10 3) at all T-fO 2 conditions. However, in the Earth's mantle, Mo is relatively more depleted than W only by a factor of three. The relative abundances of W and Mo in the Earth's mantle cannot, therefore, be explained by core formation from a homogeneously accreted Earth whatever the temperature at which metal/silicate equilibrium may have ocurred might have been. Their abundances may be quantitatively accounted for by a heterogeneous accretion model such as that of O'Neill (1991).

Transparent conducting oxides: A δ-doped superlattice approach

PubMed Central

Cooper, Valentino R.; Seo, Sung S. Ambrose; Lee, Suyoun; Kim, Jun Sung; Choi, Woo Seok; Okamoto, Satoshi; Lee, Ho Nyung

2014-01-01

Metallic states appearing at interfaces between dissimilar insulating oxides exhibit intriguing phenomena such as superconductivity and magnetism. Despite tremendous progress in understanding their origins, very little is known about how to control the conduction pathways and the distribution of charge carriers. Using optical spectroscopic measurements and density-functional theory (DFT) simulations, we examine the effect of SrTiO3 (STO) spacer layer thickness on the optical transparency and carrier distribution in La δ-doped STO superlattices. We experimentally observe that these metallic superlattices remain highly transparent to visible light; a direct consequence of the appropriately large gap between the O 2p and Ti 3d states. In superlattices with relatively thin STO layers, we predict that three-dimensional conduction would occur due to appreciable overlap of quantum mechanical wavefunctions between neighboring δ-doped layers. These results highlight the potential for using oxide heterostructures in optoelectronic devices by providing a unique route for creating novel transparent conducting oxides. PMID:25109668

Characteristics of a commercially aged Ni-Mo/Al2O3 hydrotreating catalyst: component distribution, nature of coke and effects of regeneration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bogdanor, J.M.

1984-01-01

Information concerning the morphology and behavior of active components on commercially aged catalyst, the effects of regeneration conditions on activity, and insights into the nature of coke and contaminant metal deposits could lead to improved catalysts and operating conditions , yielding significant economic returns. Spent Ni-Mo/Al2O3 hydrotreating catalyst from a commercial hydrotreater was examined using TGA, SEM, STEM, XPS, and a microreactor. Information concerning intraparticle distributions of active components, characteristics of the coke and metal deposits, and catalytic activity for fresh, spent and regenerated catalyst was used to draw general conclusions concerning hydrotreating catalyst deactivation. It was found that catalyticmore » activity was reduced and the nature of the hydrogenation function was altered due to bulk migration and agglomeration of molybdenum. This process was found to be accelerated by high-temperature regeneration. Results also indicated that iron deposits might catalyze formation of coke. Tentative generalizations and suggestions on improved reactor operation are presented.« less

Mass-size distribution and concentration of metals from personal exposure to arc welding fume in pipeline construction: a case report.

PubMed

Yang, Show-Yi; Lin, Jia-Ming; Young, Li-Hao; Chang, Ching-Wen

2018-04-07

We investigate exposure to welding fume metals in pipeline construction, which are responsible for severe respiratory problems. We analyzed air samples obtained using size-fractioning cascade impactors that were attached to the welders performing shielded metal and gas tungsten arc welding outdoors. Iron, aluminum, zinc, chromium, manganese, copper, nickel, and lead concentrations in the water-soluble (WS) and water-insoluble (WI) portions were determined separately, using inductively coupled plasma mass spectrometry. The mass-size distribution of welding fume matches a log-normal distribution with two modes. The metal concentrations in the welding fume were ranked as follows: Fe > Al > Zn > Cr > Mn > Ni > Cu > Pb. In the WS portion, the capacities of metals dissolving in water are correlated with the metal species but particle sizes. Particularly, Zn, Mn, and Pb exhibit relatively higher capacities than Cu, Cr, Al, Fe, and Ni. Exposure of the gas-exchange region of the lungs to WS metals were in the range of 4.9% to 34.6% of the corresponding metals in air by considering the particle-size selection in lungs, metal composition by particle size, and the capacities of each metal dissolving in water.

Testing anthropic reasoning for the cosmological constant with a realistic galaxy formation model

NASA Astrophysics Data System (ADS)

Sudoh, Takahiro; Totani, Tomonori; Makiya, Ryu; Nagashima, Masahiro

2017-01-01

The anthropic principle is one of the possible explanations for the cosmological constant (Λ) problem. In previous studies, a dark halo mass threshold comparable with our Galaxy must be assumed in galaxy formation to get a reasonably large probability of finding the observed small value, P(<Λobs), though stars are found in much smaller galaxies as well. Here we examine the anthropic argument by using a semi-analytic model of cosmological galaxy formation, which can reproduce many observations such as galaxy luminosity functions. We calculate the probability distribution of Λ by running the model code for a wide range of Λ, while other cosmological parameters and model parameters for baryonic processes of galaxy formation are kept constant. Assuming that the prior probability distribution is flat per unit Λ, and that the number of observers is proportional to stellar mass, we find P(<Λobs) = 6.7 per cent without introducing any galaxy mass threshold. We also investigate the effect of metallicity; we find P(<Λobs) = 9.0 per cent if observers exist only in galaxies whose metallicity is higher than the solar abundance. If the number of observers is proportional to metallicity, we find P(<Λobs) = 9.7 per cent. Since these probabilities are not extremely small, we conclude that the anthropic argument is a viable explanation, if the value of Λ observed in our Universe is determined by a probability distribution.

ASTROBIOLOGICAL EFFECTS OF GAMMA-RAY BURSTS IN THE MILKY WAY GALAXY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gowanlock, Michael G., E-mail: gowanloc@mit.edu

A planet having protective ozone within the collimated beam of a gamma-ray burst (GRB) may suffer ozone depletion, potentially causing a mass extinction event to existing life on a planet’s surface and oceans. We model the dangers of long GRBs to planets in the Milky Way and utilize a static statistical model of the Galaxy, which matches major observable properties, such as the inside-out star formation history (SFH), metallicity evolution, and three-dimensional stellar number density distribution. The GRB formation rate is a function of both the SFH and metallicity. However, the extent to which chemical evolution reduces the GRB ratemore » over time in the Milky Way is still an open question. Therefore, we compare the damaging effects of GRBs to biospheres in the Milky Way using two models. One model generates GRBs as a function of the inside-out SFH. The other model follows the SFH, but generates GRB progenitors as a function of metallicity, thereby favoring metal-poor host regions of the Galaxy over time. If the GRB rate only follows the SFH, the majority of the GRBs occur in the inner Galaxy. However, if GRB progenitors are constrained to low-metallicity environments, then GRBs only form in the metal-poor outskirts at recent epochs. Interestingly, over the past 1 Gyr, the surface density of stars (and their corresponding planets), which survive a GRB is still greatest in the inner galaxy in both models. The present-day danger of long GRBs to life at the solar radius ( R {sub ⊙} = 8 kpc) is low. We find that at least ∼65% of stars survive a GRB over the past 1 Gyr. Furthermore, when the GRB rate was expected to have been enhanced at higher redshifts, such as z ≳ 0.5, our results suggest that a large fraction of planets would have survived these lethal GRB events.« less

Selective determination of heavy metals (Cd, Pb, Cr) speciation forms from hortic anthrosols

NASA Astrophysics Data System (ADS)

Bulgariu, Dumitru; Bulgariu, Laura; Filipov, Feodor; Astefanei, Dan; Stoleru, Vasile

2010-05-01

In soils from glass houses, the speciation and inter-phases distribution processes of heavy metals have a particular dynamic, different in comparison with those from non-protected soils. The predominant distribution forms of heavy metals in such soils types are: complexes with low mass organic molecules, organic-mineral complexes, complexes with inorganic ligands (hydroxide-complexes, carbonate-complexes, sulphate-complexes, etc.) and basic salts. All of these have high stabilities in conditions of soils from glass houses, and in consequence, the separation and determination of speciation forms (which is directly connected with biodisponibility of heavy metals) by usual methods id very difficult and has a high uncertain degree. In this study is presented an original method for the selective separation and differentiation of speciation forms of heavy metals from glass houses soils, which is based by the combination of solid-liquid sequential extraction (SPE) with the extraction in aqueous polymer-inorganic salt two-phase systems (ABS). The soil samples used for this study have been sampled from three different locations (glass houses from Iasi, Barlad and Bacau - Romania) where the vegetables cultivation have been performed by three different technologies. In this way was estimated the applicability and the analytical limits of method proposed by as, in function of the chemical-mineralogical and physical-chemical characteristics of soils. As heavy metals have been studied cadmium, lead and chromium, all being known for their high toxicity. The procedure used for the selective separation and differentiation of speciation forms of heavy metals from glass houses soils has two main steps: (i) non-destructive separation of chemical-mineralogical associations and aggregates from soils samples - for this the separation method with heavy liquids (bromophorme) and isodynamic magnetic method have been used; (ii) sequential extraction of heavy metals from soil fractions separated in the first step, by using combined SPE-ABS procedure. For the preparation of combined extraction systems was used polyethylene glycol (with different molecular mass: 2000, 4000 and 8000). As phase-forming inorganic salts and as selective extracting agents we have used different usual inorganic reagents. The type and concentration of phase-forming salts have been selected in function of, both nature of extracted heavy metals and chemical-mineralogical characteristics of soil samples. The experimental parameters investigated in this study are: molecular mass of polyethylene glycol and the concentration of polymeric solutions, nature and concentration of phase-forming salts, nature and concentration of extracting agents, pH in extraction system phase, type of extracted heavy metals, type of speciation forms of heavy metals and their concentrations. All these factors can influence significantly the efficiency and the selectivity of separation process. The experimental results have indicate that the combined SPE-ABS extraction systems have better separation efficiency, in comparison with traditional SPE systems and ca realized a accurate discrimination between speciation forms of heavy metals from soils. Under these conditions, the estimation of inter-phases distribution and biodisponibility of heavy metals has a high precision. On the other hand, when the combined SPE-ABS systems are used, the concomitant extraction of the elements from the same geochemical association with studied heavy metals (inevitable phenomena in case of separation by SPE procedures) is significant diminished. This increases the separation selectivity and facilitated the more accurate determination of speciation forms concentration. By adequate selection of extraction conditions can be realized the selective separation of organic-mineral complexes, which will permit to perform detailed studies about the structure and chemical composition of these. Acknowledgments The authors would like to acknowledge the financial support from Romanian Ministry of Education and Research (Project PNCDI 2-D5 no. 51045/07 and project PNCDI 2 - D5 no. 52-141 / 2008).

Basic Studies of Distributed Discharge Limiters

DTIC Science & Technology

2014-02-10

Sputtered Lanthanum Hexaboride Film Thickness on Field Emission from Metallic Knife Edge Cathodes,” M.P. Kirley, B. Novakovic , N. Sule, M. J. Weber, I...IEEE ICOPS, San Diego, CA (2009). 99. Nishant Sule, Matt Kirley, Bozidar Novakovic , John Scharer, Irena Knezevic and John H. Booske...M. Kirley, B. Novakovic , J. Scharer, I. Knezevic, and J.H. Booske, “Field emission from low work function cathode coatings,”, Intl. Conf. Plasma

A Visual Insight into the Degradation of Metals Used in Drinking Water Distribution Systems Using AFM

EPA Science Inventory

Evaluating the fundamental corrosion and passivation of metallic copper used in drinking water distribution materials is important in understanding the overall mechanism of the corrosion process. Copper pipes are widely used for drinking water distribution systems and although it...

THE RELATIONSHIP BETWEEN THE CORROSION OF DISTRIBUTION SYSTEM MATERIALS, AND OXIDANT AND REDOX POTENTIAL

EPA Science Inventory

Scale build-up, corrosion rate, and metal release associated with drinking water distribution system pipes have been suggested to relate to the oxidant type and concentration. Conversely, different distribution system metals may exert different oxidant demands. The impact of ox...

The chemical evolution of Dwarf Galaxies with galactic winds - the role of mass and gas distribution

NASA Astrophysics Data System (ADS)

Hensler, Gerhard; Recchi, Simone

2015-08-01

Energetic feedback from Supernovae and stellar winds can drive galactic winds. Dwarf galaxies (DGs), due to their shallower potential wells, are assumed to be more vulnera-ble to these energetic processes. Metal loss through galactic winds is also commonly invoked to explain the low metal content of DGs.Our main aim in this presentation is to show that galactic mass cannot be the only pa-rameter determining the fraction of metals lost by a galaxy. In particular, the distribution of gas must play an equally important role. We perform 2-D chemo-dynamical simula-tions of galaxies characterized by different gas distributions, masses and gas fractions. The gas distribution can change the fraction of lost metals through galactic winds by up to one order of magnitude. In particular, disk-like galaxies tend to lose metals more easily than roundish ones. Consequently, also the final element abundances attained by models with the same mass but with different gas distributions can vary by up to one dex. Confirming previous studies, we also show that the fate of gas and freshly pro-duced metals strongly depends on the mass of the galaxy. Smaller galaxies (with shal-lower potential wells) more easily develop large-scale outflows; therefore, the fraction of lost metals tends to be higher.Another important issue is that the invoked mechanism to transform central cusps to cored dark-matter distributions by baryon loss due to strong galactic winds cannot work in general, must be critically tested, and should be clearly discernible by the chemical evolution of DGs.

Structural and Dynamical Properties of Alkaline Earth Metal Halides in Supercritical Water: Effect of Ion Size and Concentration.

PubMed

Keshri, Sonanki; Tembe, B L

2017-11-22

Constant temperature-constant pressure molecular dynamics simulations have been performed for aqueous alkaline earth metal chloride [M 2+ -Cl - (M = Mg, Ca, Sr, and Ba)] solutions over a wide range of concentrations (0.27-5.55 m) in supercritical (SC) and ambient conditions to investigate their structural and dynamical properties. A strong influence of the salt concentration is observed on the ion-ion pair correlation functions in both ambient and SC conditions. In SC conditions, significant clustering is observed in the 0.27 m solution, whereas the reverse situation is observed at room temperature and this is also supported by the residence times of the clusters. The concentration and ion size (cation size) seem to have opposite effects on the average number of hydrogen bonds. The simulation results show that the self-diffusion coefficients of water, cations, and the chloride ion increase with increasing temperature, whereas they decrease with increasing salt concentration. The cluster size distribution shows a strong density dependence in both ambient and SC conditions. In SC conditions, cluster sizes display a near-Gaussian distribution, whereas the distribution decays monotonically in ambient conditions.

Excitation of propagating magnetization waves by microstrip antennas

NASA Astrophysics Data System (ADS)

Dmitriev, V. F.; Kalinikos, B. A.

1988-11-01

We discuss the self-consistent theory of excitation of dipole-exchange magnetization waves by microstrip antennas in a metal-dielectric-ferrite-dielectric-metal stratified structure, magnetized under an arbitrary angle to the surface. Spin-wave Green's functions are derived, describing the response of the spin-system to a spatially inhomogeneous varying magnetic field. The radiative resistance of microstrip antenna is calculated. In this case the distribution of surface current density in the antenna is found on the basis of the analytic solution of a singular integral equation. The nature of the effect of metallic screens and redistributed surface current densities in the antenna on the frequency dependence of the resistive radiation is investigated. Approximate relations are obtained, convenient for practical calculations of radiative resistance of microstrip antennas both in a free and in a screened ferromagnetic film. The theoretical calculations are verified by data of experiments carried out on monocrystalline films of iron-yttrium garnet.

Sinter-Resistant Platinum Catalyst Supported by Metal-Organic Framework

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, In Soo; Li, Zhanyong; Zheng, Jian

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 novelmore » 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.« less

Solvation structures and dynamics of alkaline earth metal halides in supercritical water: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Keshri, Sonanki; Mandal, Ratnamala; Tembe, B. L.

2016-09-01

Constrained molecular dynamics simulations of alkaline earth metal halides have been carried out to investigate their structural and dynamical properties in supercritical water. Potentials of mean force (PMFs) for all the alkaline earth metal halides in supercritical water have been computed. Contact ion pairs (CIPs) are found to be more stable than all other configurations of the ion pairs except for MgI2 where solvent shared ion pair (SShIP) is more stable than the CIP. There is hardly any difference in the PMFs between the M2+ (M = Mg, Ca, Sr, Ba) and the X- (X = F, Cl, Br, I) ions whether the second X- ion is present in the first coordination shell of the M2+ ion or not. The solvent molecules in the solvation shells diffuse at a much slower rate compared to the bulk. Orientational distribution functions of solvent molecules are sharper for smaller ions.

Design and Characterisation of Metallic Glassy Alloys of High Neutron Shielding Capability

PubMed Central

Khong, J. C.; Daisenberger, D.; Burca, G.; Kockelmann, W.; Tremsin, A. S.; Mi, J.

2016-01-01

This paper reports the design, making and characterisation of a series of Fe-based bulk metallic glass alloys with the aim of achieving the combined properties of high neutron absorption capability and sufficient glass forming ability. Synchrotron X-ray diffraction and pair distribution function methods were used to characterise the crystalline or amorphous states of the samples. Neutron transmission and macroscopic attenuation coefficients of the designed alloys were measured using energy resolved neutron imaging method and the very recently developed microchannel plate detector. The study found that the newly designed alloy (Fe48Cr15Mo14C15B6Gd2 with a glass forming ability of Ø5.8 mm) has the highest neutron absorption capability among all Fe-based bulk metallic glasses so far reported. It is a promising material for neutron shielding applications. PMID:27848991

Distribution and speciation of metals (Cu, Zn, Cd, and Pb) in agricultural and non-agricultural soils near a stream upriver from the Pearl River, China.

PubMed

Yang, Silin; Zhou, Dequn; Yu, Huayong; Wei, Rong; Pan, Bo

2013-06-01

The distribution and chemical speciation of typical metals (Cu, Zn, Cd and Pb) in agricultural and non-agricultural soils were investigated in the area of Nanpan River, upstream of the Pearl River. The investigated four metals showed higher concentrations in agricultural soils than in non-agricultural soils, and the site located in factory district contained metals much higher than the other sampling sites. These observations suggested that human activities, such as water irrigation, fertilizer and pesticide applications might have a major impact on the distribution of metals. Metal speciation analysis presented that Cu, Zn and Cd were dominated by the residual fraction, while Pb was dominated by the reducible fraction. Because of the low mobility of the metals in the investigated area, no remarkable difference could be observed between upstream and downstream separated by the factory site. Copyright © 2013 Elsevier Ltd. All rights reserved.

Horizontal distribution and levels of heavy metals in the biggest snowstorm in a century in Shenyang, China.

PubMed

An, Jing; Zhou, Qixing; Liu, Weitao; Ren, Liping

2008-01-01

The horizontal distribution and levels of heavy metals in the biggest snowstorm in Shenyang since 1904 were investigated by analyzing 4 metals (As, Cd, Pb, and Cu) in a series of ultraclean samples collected from 17 sites distributed in different regions of the Shenyang area, China. The results showed that the concentrations of all the 4 heavy metals in snow from the industrial regions were high, up to 7.3 (As), 2.2 (Cd), 850.0 (Pb), and 0.197-20.2 (Cu) microg/kg, respectively. In the suburb, in contrast, their concentrations were not detected, except for As. Because of the long-term application of arsenical pesticides and herbicides, As was detected in the snow samples which collected on the farm. As, Cd, and Pb were also detected in the snow samples collected from the parks, the residential areas, and the commercial districts mainly by reason of human activities. In a sense, long-term industrial activities, traffic activities, coal combustion, and agricultural activities affected the horizontal distribution and levels of these heavy metals in snow differently. The data relating to the horizontal distribution and concentrations of heavy metals in the snow under extreme climatic conditions can provide with a unique snapshot of environmental pollution situation and behaviors in urban areas.

Metastability and structural polymorphism in noble metals: the role of composition and metal atom coordination in mono- and bimetallic nanoclusters.

PubMed

Sanchez, Sergio I; Small, Matthew W; Bozin, Emil S; Wen, Jian-Guo; Zuo, Jian-Min; Nuzzo, Ralph G

2013-02-26

This study examines structural variations found in the atomic ordering of different transition metal nanoparticles synthesized via a common, kinetically controlled protocol: reduction of an aqueous solution of metal precursor salt(s) with NaBH₄ at 273 K in the presence of a capping polymer ligand. These noble metal nanoparticles were characterized at the atomic scale using spherical aberration-corrected scanning transmission electron microscopy (C(s)-STEM). It was found for monometallic samples that the third row, face-centered-cubic (fcc), transition metal [(3M)-Ir, Pt, and Au] particles exhibited more coherently ordered geometries than their second row, fcc, transition metal [(2M)-Rh, Pd, and Ag] analogues. The former exhibit growth habits favoring crystalline phases with specific facet structures while the latter samples are dominated by more disordered atomic arrangements that include complex systems of facets and twinning. Atomic pair distribution function (PDF) measurements further confirmed these observations, establishing that the 3M clusters exhibit longer ranged ordering than their 2M counterparts. The assembly of intracolumn bimetallic nanoparticles (Au-Ag, Pt-Pd, and Ir-Rh) using the same experimental conditions showed a strong tendency for the 3M atoms to template long-ranged, crystalline growth of 2M metal atoms extending up to over 8 nm beyond the 3M core.

Differential quadrature method of nonlinear bending of functionally graded beam

NASA Astrophysics Data System (ADS)

Gangnian, Xu; Liansheng, Ma; Wang, Youzhi; Quan, Yuan; Weijie, You

2018-02-01

Using the third-order shear deflection beam theory (TBT), nonlinear bending of functionally graded (FG) beams composed with various amounts of ceramic and metal is analyzed utilizing the differential quadrature method (DQM). The properties of beam material are supposed to accord with the power law index along to thickness. First, according to the principle of stationary potential energy, the partial differential control formulae of the FG beams subjected to a distributed lateral force are derived. To obtain numerical results of the nonlinear bending, non-dimensional boundary conditions and control formulae are dispersed by applying the DQM. To verify the present solution, several examples are analyzed for nonlinear bending of homogeneous beams with various edges. A minute parametric research is in progress about the effect of the law index, transverse shear deformation, distributed lateral force and boundary conditions.

An optical/NIR survey of globular clusters in early-type galaxies. III. On the colour bimodality of globular cluster systems

NASA Astrophysics Data System (ADS)

Chies-Santos, A. L.; Larsen, S. S.; Cantiello, M.; Strader, J.; Kuntschner, H.; Wehner, E. M.; Brodie, J. P.

2012-03-01

Context. The interpretation that bimodal colour distributions of globular clusters (GCs) reflect bimodal metallicity distributions has been challenged. Non-linearities in the colour to metallicity conversions caused for example by the horizontal branch (HB) stars may be responsible for transforming a unimodal metallicity distribution into a bimodal (optical) colour distribution. Aims: We study optical/near-infrared (NIR) colour distributions of the GC systems in 14 E/S0 galaxies. Methods: We test whether the bimodal feature, generally present in optical colour distributions, remains in the optical/NIR ones. The latter colour combination is a better metallicity proxy than the former. We use KMM and GMM tests to quantify the probability that different colour distributions are better described by a bimodal, as opposed to a unimodal distribution. Results: We find that double-peaked colour distributions are more commonly seen in optical than in optical/NIR colours. For some of the galaxies where the optical (g - z) distribution is clearly bimodal, a bimodal distribution is not preferred over a unimodal one at a statistically significant level for the (g - K) and (z - K) distributions. The two most cluster-rich galaxies in our sample, NGC 4486 and NGC 4649, show some interesting differences. The (g - K) distribution of NGC 4649 is better described by a bimodal distribution, while this is true for the (g - K) distribution of NGC 4486 GCs only if restricted to a brighter sub-sample with small K-band errors (<0.05 mag). Formally, the K-band photometric errors cannot be responsible for blurring bimodal metallicity distributions to unimodal (g - K) colour distributions. However, simulations including the extra scatter in the colour-colour diagrams (not fully accounted for in the photometric errors) show that such scatter may contribute to the disappearance of bimodality in (g - K) for the full NGC 4486 sample. For the less cluster-rich galaxies results are inconclusive due to poorer statistics. Conclusions: A bimodal optical colour distribution is not necessarily an indication of an underlying bimodal metallicity distribution. Horizontal branch morphology may play an important role in shaping some of the optical GC colour distributions. However, we find tentative evidence that the (g - K) colour distributions remain bimodal in the two cluster-rich galaxies in our sample (NGC 4486 and NGC 4649) when restricted to clusters with small K-band photometric errors. This bimodality becomes less pronounced when including objects with larger errors, or for the (z - K) colour distributions. Deeper observations of large numbers of GCs will be required to reach more secure conclusions.

Metal pollution across the upper delta plain wetlands and its adjacent shallow sea wetland, northeast of China: implications for the filtration functions of wetlands.

PubMed

Liu, Jin; Ye, Siyuan; Yuan, Hongming; Ding, Xigui; Zhao, Guangming; Yang, Shixiong; He, Lei; Wang, Jin; Pei, Shaofeng; Huang, Xiaoyu

2018-02-01

Grain size and concentrations of organic carbon (Corg) and particulate metals (PMs) As, Cd, Cr, Cu, Hg, Pb, Zn, Al, Fe, and Mn of 373 surface sediment samples, salinities in 67 surface water samples, were analyzed in various environments, including the upper delta plain wetlands (UDPW), its adjacent shallow sea wetland (SSW) in the Liaodong Bay, and river channels that are running through the Liaohe Delta, to evaluate the spatial distribution, transportation environmental dynamics of metals, and the provenance of metal pollution and assess the filtration functions of wetlands. The concentrations of PMs for UDPW were generally higher by a factor of ~ 10-22% compared with its analogues in SSW, suggesting the accumulation of PMs within the UDPW indicates that the UDPW systems are efficiently physical and chemical traps for PMs of anthropogenic sources by retaining and storing pollutants flowing into the sea. However, there was sever sewage irrigation-induced Cd pollution with a geo-accumulation index of 0.62-3.11 in an area of ~ 86 km 2 of the adjacent shallow sea wetland, where large amount wetlands were historically moved for agriculture in the UDPW. Remarkably, the distributions of PMs were controlled by salinity-induced desorption and re-adsorption mechanisms and significantly dispersed the contamination coverage by the three-dimensional hydrodynamic and sedimentation processes that dominated by inputs of freshwater and ocean dynamics including NE-SW tidal currents and NE-E longshore drifts in the SSW of the Liaodong Bay. A high agreement between the UDPW and the SSW datasets in principal component analysis essentially reflects that the characteristics of PM sources in the SSW were actually inherited from that in the UDPW, with a much closer relationship among metals, organic matter, and fine particulates in SSW than that of UDPW, which was judged by their correlation coefficient range of 0.406-0.919 in SSW against those of 0.042-0.654 in UDPW.

Optimized Hypernetted-Chain Solutions for Helium -4 Surfaces and Metal Surfaces

NASA Astrophysics Data System (ADS)

Qian, Guo-Xin

This thesis is a study of inhomogeneous Bose systems such as liquid ('4)He slabs and inhomogeneous Fermi systems such as the electron gas in metal films, at zero temperature. Using a Jastrow-type many-body wavefunction, the ground state energy is expressed by means of Bogoliubov-Born-Green-Kirkwood -Yvon and Hypernetted-Chain techniques. For Bose systems, Euler-Lagrange equations are derived for the one- and two -body functions and systematic approximation methods are physically motivated. It is shown that the optimized variational method includes a self-consistent summation of ladder- and ring-diagrams of conventional many-body theory. For Fermi systems, a linear potential model is adopted to generate the optimized Hartree-Fock basis. Euler-Lagrange equations are derived for the two-body correlations which serve to screen the strong bare Coulomb interaction. The optimization of the pair correlation leads to an expression of correlation energy in which the state averaged RPA part is separated. Numerical applications are presented for the density profile and pair distribution function for both ('4)He surfaces and metal surfaces. Both the bulk and surface energies are calculated in good agreement with experiments.

Study of SiO2-Si and metal-oxide-semiconductor structures using positrons

NASA Astrophysics Data System (ADS)

Leung, T. C.; Asoka-Kumar, P.; Nielsen, B.; Lynn, K. G.

1993-01-01

Studies of SiO2-Si and metal-oxide-semiconductor (MOS) structures using positrons are summarized and a concise picture of the present understanding of positrons in these systems is provided. Positron annihilation line-shape S data are presented as a function of the positron incident energy, gate voltage, and annealing, and are described with a diffusion-annihilation equation for positrons. The data are compared with electrical measurements. Distinct annihilation characteristics were observed at the SiO2-Si interface and have been studied as a function of bias voltage and annealing conditions. The shift of the centroid (peak) of γ-ray energy distributions in the depletion region of the MOS structures was studied as a function of positron energy and gate voltage, and the shifts are explained by the corresponding variations in the strength of the electric field and thickness of the depletion layer. The potential role of the positron annihilation technique as a noncontact, nondestructive, and depth-sensitive characterization tool for the technologically important, deeply buried interface is shown.

NONLINEAR COLOR-METALLICITY RELATIONS OF GLOBULAR CLUSTERS. V. NONLINEAR ABSORPTION-LINE INDEX VERSUS METALLICITY RELATIONS AND BIMODAL INDEX DISTRIBUTIONS OF M31 GLOBULAR CLUSTERS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Sooyoung; Yoon, Suk-Jin; Chung, Chul

2013-05-10

Recent spectroscopy on the globular cluster (GC) system of M31 with unprecedented precision witnessed a clear bimodality in absorption-line index distributions of old GCs. Such division of extragalactic GCs, so far asserted mainly by photometric color bimodality, has been viewed as the presence of merely two distinct metallicity subgroups within individual galaxies and forms a critical backbone of various galaxy formation theories. Given that spectroscopy is a more detailed probe into stellar population than photometry, the discovery of index bimodality may point to the very existence of dual GC populations. However, here we show that the observed spectroscopic dichotomy ofmore » M31 GCs emerges due to the nonlinear nature of metallicity-to-index conversion and thus one does not necessarily have to invoke two separate GC subsystems. We take this as a close analogy to the recent view that metallicity-color nonlinearity is primarily responsible for observed GC color bimodality. We also demonstrate that the metallicity-sensitive magnesium line displays non-negligible metallicity-index nonlinearity and Balmer lines show rather strong nonlinearity. This gives rise to bimodal index distributions, which are routinely interpreted as bimodal metallicity distributions, not considering metallicity-index nonlinearity. Our findings give a new insight into the constitution of M31's GC system, which could change much of the current thought on the formation of GC systems and their host galaxies.« less

Directional solidification of a planar interface in the presence of a time-dependent electric current

NASA Technical Reports Server (NTRS)

Brush, L. N.; Coriell, S. R.; Mcfadden, G. B.

1990-01-01

Directional solidification of pure materials and binary alloys with a planar crystal-metal interface in the presence of a time-dependent electric current is considered. For a variety of time-dependent currents, the temperature fields and the interface velocity as functions of time are presented for indium antimonide and bismuth and for the binary alloys germanium-gallium and tin-bismuth. For the alloys, the solid composition is calculated as a function of position. Quantitative predictions are made of the effect of an electrical pulse on the solute distribution in the solidified material.

Spatial distribution and sources of heavy metals in natural pasture soil around copper-molybdenum mine in Northeast China.

PubMed

Wang, Zhiqiang; Hong, Chen; Xing, Yi; Wang, Kang; Li, Yifei; Feng, Lihui; Ma, Silu

2018-06-15

The characterization of the content and source of heavy metals are essential to assess the potential threat of metals to human health. The present study collected 140 topsoil samples around a Cu-Mo mine (Wunugetushan, China) and investigated the concentrations and spatial distribution pattern of Cr, Ni, Zn, Cu, Mo and Cd in soil using multivariate and geostatistical analytical methods. Results indicated that the average concentrations of six heavy metals, especially Cu and Mo, were obviously higher than the local background values. Correlation analysis and principal component analysis divided these metals into three groups, including Cr and Ni, Cu and Mo, Zn and Cd. Meanwhile, the spatial distribution maps of heavy metals indicated that Cr and Ni in soil were no notable anthropogenic inputs and mainly controlled by natural factors because their spatial maps exhibited non-point source contamination. The concentrations of Cu and Mo gradually decreased with distance away from the mine area, suggesting that human mining activities may be crucial in the spreading of contaminants. Soil contamination of Zn were associated with livestock manure produced from grazing. In addition, the environmental risk of heavy metal pollution was assessed by geo-accumulation index. All the results revealed that the spatial distribution of heavy metals in soil were in agreement with the local human activities. Investigating and identifying the origin of heavy metals in pasture soil will lay the foundation for taking effective measures to preserve soil from the long-term accumulation of heavy metals. Copyright © 2018 Elsevier Inc. All rights reserved.

Chemistry of fast electrons

PubMed Central

Maximoff, Sergey N.; Head-Gordon, Martin P.

2009-01-01

A chemicurrent is a flux of fast (kinetic energy ≳ 0.5−1.3 eV) metal electrons caused by moderately exothermic (1−3 eV) chemical reactions over high work function (4−6 eV) metal surfaces. In this report, the relation between chemicurrent and surface chemistry is elucidated with a combination of top-down phenomenology and bottom-up atomic-scale modeling. Examination of catalytic CO oxidation, an example which exhibits a chemicurrent, reveals 3 constituents of this relation: The localization of some conduction electrons to the surface via a reduction reaction, 0.5 O2 + δe− → Oδ− (Red); the delocalization of some surface electrons into a conduction band in an oxidation reaction, Oδ− + CO → CO2δ− → CO2 + δe− (Ox); and relaxation without charge transfer (Rel). Juxtaposition of Red, Ox, and Rel produces a daunting variety of metal electronic excitations, but only those that originate from CO2 reactive desorption are long-range and fast enough to dominate the chemicurrent. The chemicurrent yield depends on the universality class of the desorption process and the distribution of the desorption thresholds. This analysis implies a power-law relation with exponent 2.66 between the chemicurrent and the heat of adsorption, which is consistent with experimental findings for a range of systems. This picture also applies to other oxidation-reduction reactions over high work function metal surfaces. PMID:19561296

The stellar metallicity gradients in galaxy discs in a cosmological scenario

NASA Astrophysics Data System (ADS)

Tissera, Patricia B.; Machado, Rubens E. G.; Sanchez-Blazquez, Patricia; Pedrosa, Susana E.; Sánchez, Sebastián F.; Snaith, Owain; Vilchez, Jose

2016-08-01

Context. The stellar metallicity gradients of disc galaxies provide information on disc assembly, star formation processes, and chemical evolution. They also might store information on dynamical processes that could affect the distribution of chemical elements in the gas phase and the stellar components. Understanding their joint effects within a hierarchical clustering scenario is of paramount importance. Aims: We studied the stellar metallicity gradients of simulated discs in a cosmological simulation. We explored the dependence of the stellar metallicity gradients on stellar age and on the size and mass of the stellar discs. Methods: We used a catalogue of galaxies with disc components selected from a cosmological hydrodynamical simulation performed including a physically motivated supernova feedback and chemical evolution. Disc components were defined based on angular momentum and binding energy criteria. The metallicity profiles were estimated for stars with different ages. We confront our numerical findings with results from the Calar Alto Legacy Integral Field Area (CALIFA) Survey. Results: The simulated stellar discs are found to have metallicity profiles with slopes in global agreement with observations. Low stellar mass galaxies tend to have a larger variety of metallicity slopes. When normalized by the half-mass radius, the stellar metallicity gradients do not show any dependence and the dispersion increases significantly, regardless of the galaxy mass. Galaxies with stellar masses o f around 1010M⊙ show steeper negative metallicity gradients. The stellar metallicity gradients correlate with the half-mass radius. However, the correlation signal is not present when they are normalized by the half-mass radius. Stellar discs with positive age gradients are detected to have negative and positive metallicity gradients, depending on the relative importance of recent star formation activity in the central regions. Conclusions: Our results suggest that inside-out formation is the main process responsible for the metallicity and age profiles. The large dispersions in the metallicity gradients as a function of stellar mass could be ascribed to the effects of dynamical processes such as mergers, interactions and/or migration as well as those regulating the conversion of gas into stars. The fingerprints of the inside-out formation seem better preserved by the stellar metallicity gradients as a function of the half-mass radius.

Spatial distribution of heavy metals in the surface soil of source-control stormwater infiltration devices - Inter-site comparison.

PubMed

Tedoldi, Damien; Chebbo, Ghassan; Pierlot, Daniel; Branchu, Philippe; Kovacs, Yves; Gromaire, Marie-Christine

2017-02-01

Stormwater runoff infiltration brings about some concerns regarding its potential impact on both soil and groundwater quality; besides, the fate of contaminants in source-control devices somewhat suffers from a lack of documentation. The present study was dedicated to assessing the spatial distribution of three heavy metals (copper, lead, zinc) in the surface soil of ten small-scale infiltration facilities, along with several physical parameters (soil moisture, volatile matter, variable thickness of the upper horizon). High-resolution samplings and in-situ measurements were undertaken, followed by X-ray fluorescence analyses and spatial interpolation. Highest metal accumulation was found in a relatively narrow area near the water inflow zone, from which concentrations markedly decreased with increasing distance. Maximum enrichment ratios amounted to >20 in the most contaminated sites. Heavy metal patterns give a time-integrated vision of the non-uniform infiltration fluxes, sedimentation processes and surface flow pathways within the devices. This element indicates that the lateral extent of contamination is mainly controlled by hydraulics. The evidenced spatial structure of soil concentrations restricts the area where remediation measures would be necessary in these systems, and suggests possible optimization of their hydraulic functioning towards an easier maintenance. Heterogeneous upper boundary conditions should be taken into account when studying the fate of micropollutants in infiltration facilities with either mathematical modeling or soil coring field surveys. Copyright © 2016 Elsevier B.V. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ordoñez, Antonio J.; Sarajedini, Ata; Yang, Soung-Chul, E-mail: a.ordonez@ufl.edu, E-mail: ata@astro.ufl.edu, E-mail: sczoo@kasi.re.kr

We present the first detailed study of the RR Lyrae variable population in the Local Group dSph/dIrr transition galaxy, Phoenix, using previously obtained HST/WFPC2 observations of the galaxy. We utilize template light curve fitting routines to obtain best fit light curves for RR Lyrae variables in Phoenix. Our technique has identified 78 highly probable RR Lyrae stars (54 ab-type; 24 c-type) with about 40 additional candidates. We find mean periods for the two populations of (P {sub ab}) = 0.60 ± 0.03 days and (P{sub c} ) = 0.353 ± 0.002 days. We use the properties of these light curvesmore » to extract, among other things, a metallicity distribution function for ab-type RR Lyrae. Our analysis yields a mean metallicity of ([Fe/H]) = –1.68 ± 0.06 dex for the RRab stars. From the mean period and metallicity calculated from the ab-type RR Lyrae, we conclude that Phoenix is more likely of intermediate Oosterhoff type; however the morphology of the Bailey diagram for Phoenix RR Lyraes appears similar to that of an Oosterhoff type I system. Using the RRab stars, we also study the chemical enrichment law for Phoenix. We find that our metallicity distribution is reasonably well fitted by a closed-box model. The parameters of this model are compatible with the findings of Hidalgo et al., further supporting the idea that Phoenix appears to have been chemically enriched as a closed-box-like system during the early stage of its formation and evolution.« less

Adsorbed radioactivity and radiographic imaging of surfaces of stainless steel and titanium

NASA Astrophysics Data System (ADS)

Jung, Haijo

1997-11-01

Type 304 stainless steel used for typical surface materials of spent fuel shipping casks and titanium were exposed in the spent fuel storage pool of a typical PWR power plant. Adsorption characteristics, effectiveness of decontamination by water cleaning and by electrocleaning, and swipe effectiveness on the metal surfaces were studied. A variety of environmental conditions had been manipulated to stimulate the potential 'weeping' phenomenon that often occurs with spent fuel shipping casks during transit. In a previous study, few heterogeneous effects of adsorbed contamination onto metal surfaces were observed. Radiographic images of cask surfaces were made in this study and showed clearly heterogeneous activity distributions. Acquired radiographic images were digitized and further analyzed with an image analysis computer package and compared to calibrated images by using standard sources. The measurements of activity distribution by using the radiographic image method were consistent with that using a HPGe detector. This radiographic image method was used to study the effects of electrocleaning for total and specified areas. The Modulation Transfer Function (MTF) of a film-screen system in contact with a radioactive metal surface was studied with neutron activated gold foils and showed more broad resolution properties than general diagnostic x-ray film-screen systems. Microstructure between normal areas and hot spots showed significant differences, and one hot spot appearing as a dot on the film image consisted of several small hot spots (about 10 μm in diameter). These hot spots were observed as structural defects of the metal surfaces.

Experimental investigation of MHD pressure losses in a mock-up of a liquid metal blanket

NASA Astrophysics Data System (ADS)

Mistrangelo, C.; Bühler, L.; Brinkmann, H.-J.

2018-03-01

Experiments have been performed to investigate the influence of a magnetic field on liquid metal flows in a scaled mock-up of a helium cooled lead lithium (HCLL) blanket. During the experiments pressure differences between points on the mock-up have been recorded for various values of flow rate and magnitude of the imposed magnetic field. The main contributions to the total pressure drop in the test-section have been identified as a function of characteristic flow parameters. For sufficiently strong magnetic fields the non-dimensional pressure losses are practically independent on the flow rate, namely inertia forces become negligible. Previous experiments on MHD flows in a simplified test-section for a HCLL blanket showed that the main contributions to the total pressure drop in a blanket module originate from the flow in the distributing and collecting manifolds. The new experiments confirm that the largest pressure drops occur along manifolds and near the first wall of the blanket module, where the liquid metal passes through small openings in the stiffening plates separating two breeder units. Moreover, the experimental data shows that with the present manifold design the flow does not distribute homogeneously among the 8 stacked boxes that form the breeding zone.

Cation Distribution and Local Configuration of Fe 2+ Ions in Structurally Nonequivalent Lattice Sites of Heterometallic Fe(II)/ M(II) ( M = Mn, Co, Ni, Cu, Zn) Diaquadiformato Complexes

NASA Astrophysics Data System (ADS)

Devillers, M.; Ladrière, J.

1993-03-01

57Fe Mössbauer investigations are carried out on a wide series of heterometallic diaquadiformato Fe(II)/ M(II) complexes with M = Mn, Co, Ni, Cu, and Zn to provide a local picture of the coordination environment of the 57Fe 2+ ions as a function of (i) the nature of the host cation and (ii) the relative amounts of both metals in the matrix (between 50 and 0.25 at.% Fe). Information is obtained on the quantitative distribution of both metals between the two structurally nonequivalent lattice sites and on the local geometry around the dopant atom in each crystal site. In the mixed Fe-Cu complexes. Fe 2+ ions are preferentially incorporated in the tetrahydrated site; in Cu-rich Fe xCu 1- x(HCO 2) 2· 2H 2O, the 57Fe 2+ ions located in the hexaformato-coordinated site are surrounded by an axially compressed octahedron of formate ligands which contrasts with the elongated configuration observed in the pure iron compound and in the other mixed systems. Semiquantitative estimations of the tetragonal field splitting and of the extent of metal-ligand interactions are proposed from the temperature dependence of the quadrupole splitting values.

Control of electronic properties of 2D carbides (MXenes) by manipulating their transition metal layers

DOE PAGES

Anasori, Babak; Shi, Chenyang; Moon, Eun Ju; ...

2016-02-24

In this paper, a transition from metallic to semiconducting-like behavior has been demonstrated in two-dimensional (2D) transition metal carbides by replacing titanium with molybdenum in the outer transition metal (M) layers of M 3C 2 and M 4C 3 MXenes. The MXene structure consists of n + 1 layers of near-close packed M layers with C or N occupying the octahedral site between them in an [MX] nM arrangement. Recently, two new families of ordered 2D double transition metal carbides MXenes were discovered, M' 2M"C 2 and M' 2M" 2C 3 – where M' and M" are two different earlymore » transition metals, such as Mo, Cr, Ta, Nb, V, and Ti. The M' atoms only occupy the outer layers and the M" atoms fill the middle layers. In other words, M' atomic layers sandwich the middle M"–C layers. Using X-ray atomic pair distribution function (PDF) analysis on Mo 2TiC 2 and Mo 2Ti 2C 3 MXenes, we present the first quantitative analysis of structures of these novel materials and experimentally confirm that Mo atoms are in the outer layers of the [MC] nM structures. The electronic properties of these Mo-containing MXenes are compared with their Ti 3C 2 counterparts, and are found to be no longer metallic-like conductors; instead the resistance increases mildly with decreasing temperatures. Density functional theory (DFT) calculations suggest that OH terminated Mo–Ti MXenes are semiconductors with narrow band gaps. Measurements of the temperature dependencies of conductivities and magnetoresistances have confirmed that Mo 2TiC 2T x exhibits semiconductor-like transport behavior, while Ti 3C 2T x is a metal. Finally, this finding opens new avenues for the control of the electronic and optical applications of MXenes and for exploring new applications, in which semiconducting properties are required.« less

Charge injection in thin dielectric layers by atomic force microscopy: influence of geometry and material work function of the AFM tip on the injection process

NASA Astrophysics Data System (ADS)

Villeneuve-Faure, C.; Makasheva, K.; Boudou, L.; Teyssedre, G.

2016-06-01

Charge injection and retention in thin dielectric layers remain critical issues for the reliability of many electronic devices because of their association with a large number of failure mechanisms. To overcome this drawback, a deep understanding of the mechanisms leading to charge injection close to the injection area is needed. Even though the charge injection is extensively studied and reported in the literature to characterize the charge storage capability of dielectric materials, questions about charge injection mechanisms when using atomic force microscopy (AFM) remain open. In this paper, a thorough study of charge injection by using AFM in thin plasma-processed amorphous silicon oxynitride layers with properties close to that of thermal silica layers is presented. The study considers the impact of applied voltage polarity, work function of the AFM tip coating and tip curvature radius. A simple theoretical model was developed and used to analyze the obtained experimental results. The electric field distribution is computed as a function of tip geometry. The obtained experimental results highlight that after injection in the dielectric layer the charge lateral spreading is mainly controlled by the radial electric field component independently of the carrier polarity. The injected charge density is influenced by the nature of electrode metal coating (work function) and its geometry (tip curvature radius). The electron injection is mainly ruled by the Schottky injection barrier through the field electron emission mechanism enhanced by thermionic electron emission. The hole injection mechanism seems to differ from the electron one depending on the work function of the metal coating. Based on the performed analysis, it is suggested that for hole injection by AFM, pinning of the metal Fermi level with the metal-induced gap states in the studied silicon oxynitride layers starts playing a role in the injection mechanisms.

Entanglement Properties and Quantum Phases for a Fermionic Disordered One-Dimensional Wire with Attractive Interactions.

PubMed

Berkovits, Richard

2015-11-13

A fermionic disordered one-dimensional wire in the presence of attractive interactions is known to have two distinct phases, a localized and superconducting, depending on the strength of interaction and disorder. The localized region may also exhibit a metallic behavior if the system size is shorter than the localization length. Here we show that the superconducting phase has a distribution of the entanglement entropy distinct from the metallic regime. The entanglement entropy distribution is strongly asymmetric with a Lévy α-stable distribution (compared to the Gaussian metallic distribution), as is seen also for the second Rényi entropy distribution. Thus, entanglement properties may reveal properties which cannot be detected by other methods.

Hybrid welding of dissimilar metals

NASA Astrophysics Data System (ADS)

Samigullin, A. D.; Bashmakov, D. A.; Israphilov, I. Kh; Turichin, G. A.

2017-01-01

The article addresses issues laser - plasma welding (LPW) dissimilar metals and the results of metallographic studies of the microstructure of welds ferrite - 40 steel and molybdenum - steel 40. Increasing potential opportunities the high-energy processing is carried out by integration the laser radiation (LR) and plasma, which allows you to create the desired spatial distribution of the energy flow for technological processes (TP) of laser-plasma heat treatment (LPT) of metals. The distribution of the thermal field is determined by the density distribution of energy flow LR and plasma exposure time, and the thermal characteristics of the treated metal. The most interesting is the treatment of details with ring flow of plasma and LR axial impact.

Structure and Dynamics of Quasi-Ordered Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eckert, J.; Redondo, A.; Henson, N.J.

1999-07-09

The functionality of many materials of both fundamental and technological interest is often critically dependent on the nature and extent of any disorder that may be present. In addition, it is often difficult to understand the nature of disorder in quite well ordered systems. There is therefore an urgent need to develop better tools, both experimental and computational, for the study of such quasi-ordered systems. To this end, the authors have used neutron diffraction studies in an attempt to locate small metal clusters or molecules randomly distributed inside microporous catalytic materials. Specifically, they have used pair distribution function (PDF) analysis,more » as well as inelastic neutron scattering (INS) spectroscopy, to study interactions between adsorbate molecules and a microporous matrix. They have interfaced these experimental studies with computations of PDF analysis as well as modeling of the dynamics of adsorbates. These techniques will be invaluable in elucidating the local structure and function of many of these classes of materials.« less

Verification of Anderson Superexchange in MnO via Magnetic Pair Distribution Function Analysis and ab initio Theory

NASA Astrophysics Data System (ADS)

Frandsen, Benjamin A.; Brunelli, Michela; Page, Katharine; Uemura, Yasutomo J.; Staunton, Julie B.; Billinge, Simon J. L.

2016-05-01

We present a temperature-dependent atomic and magnetic pair distribution function (PDF) analysis of neutron total scattering measurements of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. The known antiferromagnetic ground-state structure fits the low-temperature data closely with refined parameters that agree with conventional techniques, confirming the reliability of the newly developed magnetic PDF method. The measurements performed in the paramagnetic phase reveal significant short-range magnetic correlations on a ˜1 nm length scale that differ substantially from the low-temperature long-range spin arrangement. Ab initio calculations using a self-interaction-corrected local spin density approximation of density functional theory predict magnetic interactions dominated by Anderson superexchange and reproduce the measured short-range magnetic correlations to a high degree of accuracy. Further calculations simulating an additional contribution from a direct exchange interaction show much worse agreement with the data. The Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.

Identification of Cerebral Metal Ion Imbalance in the Brain of Aging Octodon degus

PubMed Central

Braidy, Nady; Poljak, Anne; Marjo, Chris; Rutlidge, Helen; Rich, Anne; Jugder, Bat-Erdene; Jayasena, Tharusha; Inestrosa, Nibaldo C.; Sachdev, Perminder S.

2017-01-01

The accumulation of redox-active transition metals in the brain and metal dyshomeostasis are thought to be associated with the etiology and pathogenesis of several neurodegenerative diseases, and Alzheimer’s disease (AD) in particular. As well, distinct biometal imaging and role of metal uptake transporters are central to understanding AD pathogenesis and aging but remain elusive, due inappropriate detection methods. We therefore hypothesized that Octodon degus develop neuropathological abnormalities in the distribution of redox active biometals, and this effect may be due to alterations in the expression of lysosomal protein, major Fe/Cu transporters, and selected Zn transporters (ZnTs and ZIPs). Herein, we report the distribution profile of biometals in the aged brain of the endemic Chilean rodent O. degus—a natural model to investigate the role of metals on the onset and progression of AD. Using laser ablation inductively coupled plasma mass spectrometry, our quantitative images of biometals (Fe, Ca, Zn, Cu, and Al) appear significantly elevated in the aged O. degus and show an age-dependent rise. The metals Fe, Ca, Zn, and Cu were specifically enriched in the cortex and hippocampus, which are the regions where amyloid plaques, tau phosphorylation and glial alterations are most commonly reported, whilst Al was enriched in the hippocampus alone. Using whole brain extracts, age-related deregulation of metal trafficking pathways was also observed in O. degus. More specifically, we observed impaired lysosomal function, demonstrated by increased cathepsin D protein expression. An age-related reduction in the expression of subunit B2 of V-ATPase, and significant increases in amyloid beta peptide 42 (Aβ42), and the metal transporter ATP13a2 were also observed. Although the protein expression levels of the zinc transporters, ZnT (1,3,4,6, and 7), and ZIP7,8 and ZIP14 increased in the brain of aged O. degus, ZnT10, decreased. Although no significant age-related change was observed for the major iron/copper regulator IRP2, we did find a significant increase in the expression of DMT1, a major transporter of divalent metal species, 5′-aminolevulinate synthase 2 (ALAS2), and the proto-oncogene, FOS. Collectively, our data indicate that transition metals may be enriched with age in the brains of O. degus, and metal dyshomeostasis in specific brain regions is age-related. PMID:28405187

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multizone Reaction Kinetics: Modeling of Decarburization

NASA Astrophysics Data System (ADS)

Rout, Bapin Kumar; Brooks, Geoffrey; Akbar Rhamdhani, M.; Li, Zushu; Schrama, Frank N. H.; Overbosch, Aart

2018-06-01

In a previous study by the authors (Rout et al. in Metall Mater Trans B 49:537-557, 2018), a dynamic model for the BOF, employing the concept of multizone kinetics was developed. In the current study, the kinetics of decarburization reaction is investigated. The jet impact and slag-metal emulsion zones were identified to be primary zones for carbon oxidation. The dynamic parameters in the rate equation of decarburization such as residence time of metal drops in the emulsion, interfacial area evolution, initial size, and the effects of surface-active oxides have been included in the kinetic rate equation of the metal droplet. A modified mass-transfer coefficient based on the ideal Langmuir adsorption equilibrium has been proposed to take into account the surface blockage effects of SiO2 and P2O5 in slag on the decarburization kinetics of a metal droplet in the emulsion. Further, a size distribution function has been included in the rate equation to evaluate the effect of droplet size on reaction kinetics. The mathematical simulation indicates that decarburization of the droplet in the emulsion is a strong function of the initial size and residence time. A modified droplet generation rate proposed previously by the authors has been used to estimate the total decarburization rate by slag-metal emulsion. The model's prediction shows that about 76 pct of total carbon is removed by reactions in the emulsion, and the remaining is removed by reactions at the jet impact zone. The predicted bath carbon by the model has been found to be in good agreement with the industrially measured data.

The Herschel Virgo Cluster Survey - XVI. A cluster inventory

NASA Astrophysics Data System (ADS)

Davies, J. I.; Bianchi, S.; Baes, M.; Bendo, G. J.; Clemens, M.; De Looze, I.; di Serego Alighieri, S.; Fritz, J.; Fuller, C.; Pappalardo, C.; Hughes, T. M.; Madden, S.; Smith, M. W. L.; Verstappen, J.; Vlahakis, C.

2014-03-01

Herschel far-infrared (FIR) observations are used to construct Virgo cluster galaxy luminosity functions and to show that the cluster lacks the very bright and the numerous faint sources detected in field galaxy surveys. The FIR spectral energy distributions are fitted to obtain dust masses and temperatures and the dust mass function. The cluster is overdense in dust by about a factor of 100 compared to the field. The same emissivity (β)-temperature relation applies for different galaxies as that found for different regions of M31. We use optical and H I data to show that Virgo is overdense in stars and atomic gas by about a factor of 100 and 20, respectively. Metallicity values are used to measure the mass of metals in the gas phase. The mean metallicity is ˜0.7 solar, and ˜50 per cent of the metals are in the dust. For the cluster as a whole, the mass density of stars in galaxies is eight times that of the gas and the gas mass density is 130 times that of the metals. We use our data to consider the chemical evolution of the individual galaxies, inferring that the measured variations in the effective yield are due to galaxies having different ages, being affected to varying degrees by gas loss. Four galaxy scaling relations are considered: mass-metallicity, mass-velocity, mass-star formation rate and mass-radius - we suggest that initial galaxy mass is the prime driver of a galaxy's ultimate destiny. Finally, we use X-ray observations and galaxy dynamics to assess the dark and baryonic matter content compared to the cosmological model.

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multizone Reaction Kinetics: Modeling of Decarburization

NASA Astrophysics Data System (ADS)

Rout, Bapin Kumar; Brooks, Geoffrey; Akbar Rhamdhani, M.; Li, Zushu; Schrama, Frank N. H.; Overbosch, Aart

2018-03-01

In a previous study by the authors (Rout et al. in Metall Mater Trans B 49:537-557, 2018), a dynamic model for the BOF, employing the concept of multizone kinetics was developed. In the current study, the kinetics of decarburization reaction is investigated. The jet impact and slag-metal emulsion zones were identified to be primary zones for carbon oxidation. The dynamic parameters in the rate equation of decarburization such as residence time of metal drops in the emulsion, interfacial area evolution, initial size, and the effects of surface-active oxides have been included in the kinetic rate equation of the metal droplet. A modified mass-transfer coefficient based on the ideal Langmuir adsorption equilibrium has been proposed to take into account the surface blockage effects of SiO2 and P2O5 in slag on the decarburization kinetics of a metal droplet in the emulsion. Further, a size distribution function has been included in the rate equation to evaluate the effect of droplet size on reaction kinetics. The mathematical simulation indicates that decarburization of the droplet in the emulsion is a strong function of the initial size and residence time. A modified droplet generation rate proposed previously by the authors has been used to estimate the total decarburization rate by slag-metal emulsion. The model's prediction shows that about 76 pct of total carbon is removed by reactions in the emulsion, and the remaining is removed by reactions at the jet impact zone. The predicted bath carbon by the model has been found to be in good agreement with the industrially measured data.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hidalgo, Sebastian L.; Aparicio, Antonio; MartInez-Delgado, David

We present the star formation history (SFH) and its variations with galactocentric distance for the Local Group dwarf galaxy of Phoenix. They have been derived from a (F555W, F814W) color-magnitude diagram obtained from WFPC2-HST data, which reaches the oldest main-sequence turnoffs. The IAC-star and IAC-pop codes and the MinnIAC suite have been used to obtain the star formation rate as a function of time and metallicity, psi(t, z). We find that Phoenix has had ongoing but gradually decreasing star formation over nearly a Hubble time. The highest level of star formation occurred from the formation of the galaxy till 10.5more » Gyr ago, when 50% of the total star formation had already taken place. From that moment, star formation continues at a significant level until 6 Gyr ago (an additional 35% of the stars are formed in this time interval), and at a very low level till the present time. The chemical enrichment law shows a trend of slowly increasing metallicity as a function of time until 6-8 Gyr ago, when metallicity starts to increase steeply to the current value. We have paid particular attention to the study of the variations of the SFH as a function of radius. Young stars are found in the inner region of the galaxy only, but intermediate-age and old stars can be found at all galactocentric distances. The distribution of mass density in alive stars and its evolution with time has been studied. This study shows that star formation started at all galactocentric distances in Phoenix at an early epoch. If stars form in situ in Phoenix, the star formation onset took place all over the galaxy (up to a distance of about 400 pc from the center), but preferentially out of center regions. After that, our results are compatible with a scenario in which the star formation region envelope slowly shrinks as time goes on, possibly as a natural result of pressure support reduction as gas supply diminishes. As a consequence, the star formation stopped first (about 7-8 Gyr ago) in outer regions and the scale length of the stellar mass density distribution decreased with time. Finally, no traces of a true, old halo are apparent in Phoenix either in its stellar age distribution or in the stellar mass density distribution, at least out to 0.5 kpc (about 2.5 scale length) from the center.« less

Distribution of Cr, Pb, Cd, Zn, Fe and Mn in Lake Victoria sediments, East Africa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Onyari, J.M.; Wandiga, S.O.

1989-06-01

The presence of many metals at trace or ultra-trace levels in the human environment has received increased global attention. Sediments as a sink for pollutants are widely recognized pollution sources and diagenesis and biochemical transformations within the sediment may mobilize pollutants posing a threat to a wider biological community. The natural (background) concentrations of heavy metals in lake sediments can be estimated either by analysis of surface sediments in non-polluted regions or by analysis of core samples antedating modern pollution. The distribution pattern of heavy metals in tropical freshwater systems has been little studied. The authors found increased concentrations ofmore » lead and other trace metals in Lake Victoria. Thus this study was initiated in order to further investigate the distribution patterns of lead and other metals in Lake Victoria.« less

A Multidisciplinary Approach to Health Monitoring and Materials Damage Prognosis for Metallic Aerospace Systems

DTIC Science & Technology

2013-03-01

framework of orientation distribution functions and crack-induced texture o Quantify effects of temperature on damage behavior and damage monitoring...measurement model was obtained from hidden Markov modeling (HMM) of joint time-frequency (TF) features extracted from the PZT sensor signals using the...considered PZT sensor signals recorded from a bolted aluminum plate. About only 20% of the samples of a signal were first randomly selected as

Analysis of Functionally Graded Shells Subjected to Blast Loads

DTIC Science & Technology

2008-07-21

and antisymmetric about the midsurface , continuous distributions of the two constituent phases, ceramic and metal, are considered, in the sense that...through the wall-thickness temperature field is investigated. Two scenarios, symmetric and antisymmetric about the midsurface , continuous...and for 3 / 2x h= − , ( / 2) cP h P− ⇒ . At the midsurface , 3 0x = , and for 1k = , ( )(0) / 2c mP P P= + . 3 Kinematics and Constitutive

Numerical simulation of the alloying process during impulse induction heating of the metal substrate

NASA Astrophysics Data System (ADS)

Popov, V. N.

2017-10-01

2D numerical modeling of the processes during the alloying of the substrate surface metal layer is carried out. Heating, phase transition, heat and mass transfer in the molten metal, solidification of the melt are considered with the aid the proposed mathematical model. Under study is the applicability of the high-frequency electromagnetic field impulse for metal heating and melting. The distribution of the electromagnetic energy in the metal is described by empirical formulas. According to the results of numerical experiments, the flow structure in the melt and distribution of the alloying substances is evaluated.

Stability and Degradation Mechanisms of Metal-Organic Frameworks Containing the Zr6O4(OH)4 Secondary Building Unit

DTIC Science & Technology

2013-03-18

0188 3. DATES COVERED (From - To) - UU UU UU UU Approved for public release; distribution is unlimited. Stability and degradation mechanisms of metal ...Stability and degradation mechanisms of metal –organic frameworks containing the Zr6O4(OH)4 secondary building unit Report Title See publication. 3...Stability and degradation mechanisms of metal –organic frameworks containing the Zr6O4(OH)4 secondary building unit Approved for public release; distribution

Biogeochemical Gradients in Wetland Sediments and their Effect on the Fate Trace Metals

NASA Astrophysics Data System (ADS)

Jaffe, P. R.; Choi, J.; Xu, S.

2005-12-01

The interactions between sediment biogeochemistry processes and higher plants play a major role on trace metal mobility in wetlands. Most wetland sediments are characterized by steep redox gradients, resulting from the sequential utilization of different electron acceptors during the degradation of organic matter provided by leaf litter and root turnover. Metals in wetland sediments may be immobilized due to precipitation or adsorption to different organic and inorganic sediment constituents. Adsorption onto iron, and manganese oxides, are important in the rhizosphere where iron oxyhydroxide plaques may form on the surface of roots. As the sediments becomes more reduced, bioavailable iron and manganese oxides are used as electron acceptor and are gradually depleted, resulting in the mobilization of some adsorbed species (i.e., As(V), phosphate, etc.), the reduction of some trace metals such as Cr(VI) (which is then immobilized as Cr(III)), and for more reduced conditions the immobilization of trace metals (i.e., Cd, Pb, Zn) as sulfides. Results from numerical simulations, laboratory experiments, and field measurements will be presented, showing how redox gradients and hence, trace-metal immobilization, in wetlands respond to external forcing functions such as changes in nutrient loading, plant distribution, seasonal and diurnal plant activity (specifically evapotranspiration and oxygen release), and temporal or spatial changes in the profile of iron and manganese oxides.

Are scarce metals in cars functionally recycled?

PubMed

Andersson, Magnus; Ljunggren Söderman, Maria; Sandén, Björn A

2017-02-01

Improved recycling of end-of-life vehicles (ELVs) may serve as an important strategy to address resource security risks related to increased global demand for scarce metals. However, in-depth knowledge of the magnitude and fate of such metals entering ELV recycling is lacking. This paper quantifies input of 25 scarce metals to Swedish ELV recycling, and estimates the extent to which they are recycled to material streams where their metal properties are utilised, i.e. are functionally recycled. Methodologically, scarce metals are mapped to main types of applications within newly produced Swedish car models and subsequently, material flow analysis of ELV waste streams is used as basis for identifying pathways of these applications and assessing whether contained metals are functionally recycled. Results indicate that, of the scarce metals, only platinum may be functionally recycled in its main application. Cobalt, gold, manganese, molybdenum, palladium, rhodium and silver may be functionally recycled depending on application and pathways taken. For remaining 17 metals, functional recycling is absent. Consequently, despite high overall ELV recycling rates of materials in general, there is considerable risk of losing ELV scarce metals to carrier metals, construction materials, backfilling materials and landfills. Given differences in the application of metals and identified pathways, prospects for increasing functional recycling are discussed. Copyright © 2016 Elsevier Ltd. All rights reserved.

MNPBEM - A Matlab toolbox for the simulation of plasmonic nanoparticles

NASA Astrophysics Data System (ADS)

Hohenester, Ulrich; Trügler, Andreas

2012-02-01

MNPBEM is a Matlab toolbox for the simulation of metallic nanoparticles (MNP), using a boundary element method (BEM) approach. The main purpose of the toolbox is to solve Maxwell's equations for a dielectric environment where bodies with homogeneous and isotropic dielectric functions are separated by abrupt interfaces. Although the approach is in principle suited for arbitrary body sizes and photon energies, it is tested (and probably works best) for metallic nanoparticles with sizes ranging from a few to a few hundreds of nanometers, and for frequencies in the optical and near-infrared regime. The toolbox has been implemented with Matlab classes. These classes can be easily combined, which has the advantage that one can adapt the simulation programs flexibly for various applications. Program summaryProgram title: MNPBEM Catalogue identifier: AEKJ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKJ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License v2 No. of lines in distributed program, including test data, etc.: 15 700 No. of bytes in distributed program, including test data, etc.: 891 417 Distribution format: tar.gz Programming language: Matlab 7.11.0 (R2010b) Computer: Any which supports Matlab 7.11.0 (R2010b) Operating system: Any which supports Matlab 7.11.0 (R2010b) RAM: ⩾1 GByte Classification: 18 Nature of problem: Solve Maxwell's equations for dielectric particles with homogeneous dielectric functions separated by abrupt interfaces. Solution method: Boundary element method using electromagnetic potentials. Running time: Depending on surface discretization between seconds and hours.

Assisted phytostabilization of a multicontaminated mine technosol using biochar amendment: Early stage evaluation of biochar feedstock and particle size effects on As and Pb accumulation of two Salicaceae species (Salix viminalis and Populus euramericana).

PubMed

Lebrun, Manhattan; Miard, Florie; Nandillon, Romain; Léger, Jean-Christophe; Hattab-Hambli, Nour; Scippa, Gabriella S; Bourgerie, Sylvain; Morabito, Domenico

2018-03-01

Soil contamination by metal(loid)s is one of the most important environmental problem. It leads to loss of environment biodiversity and soil functions and can have harmful effects on human health. Therefore, contaminated soils could be remediated, using phytoremediation. Indeed, plant growth will improve soil conditions while accumulating metal(loid)s and modifying their mobility. However, due to the poor fertility and high metal(loid)s levels of these soils, amendments, like biochar, has to be applied. This study was performed on a former mine technosol contaminated by As and Pb and aimed to study (i) the effect of biochar on soil physico-chemical properties and plant phytostabilization potential (ii) biochar feedstock and particle size effects. In this goal, a mesocosm experiment was set up using four different biochars, obtained from two feedstocks (lightwood and pinewood) and harboring two particle sizes (inf. 0.1 mm and 0.2-0.4 mm) and two Salicaceae species. Soil and soil pore water physico-chemical properties as well as plant growth and metal(loid)s distribution were assessed. The results showed that biochar was efficient in improving soil physico-chemical properties and reducing Pb soil pore water concentrations. This amelioration allowed plant growth and increased dry weight production of both species. Regarding metal(loid)s distribution, willow and poplar showed an As and Pb accumulation in roots and low translocation towards edible parts, i.e stems and leaves, which shows a phytostabilization potential. Finally, the 2 biochar parameters, feedstock and particle size, only affected soil and soil pore water physico-chemical properties while having no effect on plant growth. Copyright © 2017 Elsevier Ltd. All rights reserved.

Impact of Multifunctional Bimetallic Materials on Lithium Battery Electrochemistry.

PubMed

Durham, Jessica L; Poyraz, Altug S; Takeuchi, Esther S; Marschilok, Amy C; Takeuchi, Kenneth J

2016-09-20

Electric energy storage devices such as batteries are complex systems comprised of a variety of materials with each playing separate yet interactive roles, complicated by length scale interactions occurring from the molecular to the mesoscale. Thus, addressing specific battery issues such as functional capacity requires a comprehensive perspective initiating with atomic level concepts. For example, the electroactive materials which contribute to the functional capacity in a battery comprise approximately 30% or less of the total device mass. Thus, the design and implementation of multifunctional materials can conceptually reduce or eliminate the contribution of passive materials to the size and mass of the final system. Material multifunctionality can be achieved through appropriate material design on the atomic level resulting in bimetallic electroactive materials where one metal cation forms mesoscale conductive networks upon discharge while the other metal cations can contribute to atomic level structure and net functional secondary capacity, a device level issue. Specifically, this Account provides insight into the multimechanism electrochemical redox processes of bimetallic cathode materials based on transition metal oxides (MM'O) or phosphorus oxides (MM'PO) where M = Ag and M' = V or Fe. One discharge process can be described as reduction-displacement where Ag(+) is reduced to Ag(0) and displaced from the parent structure. This reduction-displacement reaction in silver-containing bimetallic electrodes allows for the in situ formation of a conductive network, enhancing the electrochemical performance of the electrode and reducing or eliminating the need for conductive additives. A second discharge process occurs through the reduction of the second transition metal, V or Fe, where the oxidation state of the metal center is reduced and lithium cations are inserted into the structure. As both metal centers contribute to the functional capacity, determining the kinetically and thermodynamically preferred reduction processes at various states of discharge is critical to elucidating the mechanism. Specific advanced in situ and ex situ characterization techniques are conducive to gaining insight regarding the electrochemical behavior of these multifunctional materials over multiple length scales. At the material level, optical microscopy, scanning electron microscopy, and local conductivity measurement via a nanoprobe can track the discharge mechanism of an isolated single particle. At the mesoscale electrode level, in situ data from synchrotron based energy dispersive X-ray diffraction (EDXRD) within fully intact steel batteries can be used to spatially map the distribution of silver metal generated through reduction displacement as a function of discharge depth and discharge rate. As illustrated here, appropriate design of materials with multiple electrochemically active metal centers and properties tuned through strategically conceptualized materials synthesis may provide a path toward the next generation of high energy content electroactive materials and systems. Full understanding of the multiple electrochemical mechanisms can be achieved only by utilizing advanced characterization tools over multiple length scales.

Atomic picture of elastic deformation in a metallic glass

NASA Astrophysics Data System (ADS)

Wang, X. D.; Aryal, S.; Zhong, C.; Ching, W. Y.; Sheng, H. W.; Zhang, H.; Zhang, D. X.; Cao, Q. P.; Jiang, J. Z.

2015-03-01

The tensile behavior of a Ni60Nb40 metallic glass (MG) has been studied by using ab initio density functional theory (DFT) calculation with a large cell containing 1024 atoms (614 Ni and 410 Nb). We provide insight into how a super elastic limit can be achieved in a MG. Spatially inhomogeneous responses of single atoms and also major polyhedra are found to change greatly with increasing external stress when the strain is over 2%, causing the intrinsically viscoelastic behavior. We uncover the origin of the observed super elastic strain limit under tension (including linear and viscoelastic strains) in small-sized MG samples, mainly caused by inhomogeneous distribution of excess volumes in the form of newly formed subatomic cavities.

Atomic picture of elastic deformation in a metallic glass.

PubMed

Wang, X D; Aryal, S; Zhong, C; Ching, W Y; Sheng, H W; Zhang, H; Zhang, D X; Cao, Q P; Jiang, J Z

2015-03-17

The tensile behavior of a Ni60Nb40 metallic glass (MG) has been studied by using ab initio density functional theory (DFT) calculation with a large cell containing 1024 atoms (614 Ni and 410 Nb). We provide insight into how a super elastic limit can be achieved in a MG. Spatially inhomogeneous responses of single atoms and also major polyhedra are found to change greatly with increasing external stress when the strain is over 2%, causing the intrinsically viscoelastic behavior. We uncover the origin of the observed super elastic strain limit under tension (including linear and viscoelastic strains) in small-sized MG samples, mainly caused by inhomogeneous distribution of excess volumes in the form of newly formed subatomic cavities.

Atomic picture of elastic deformation in a metallic glass

DOE PAGES

Wang, X. D.; Aryal, S.; Zhong, C.; ...

2015-03-17

The tensile behavior of a Ni₆₀Nb₄₀ metallic glass (MG) has been studied by using ab initio density functional theory (DFT) calculation with a large cell containing 1024 atoms (614 Ni and 410 Nb). We provide insight into how a super elastic limit can be achieved in a MG. Spatially inhomogeneous responses of single atoms and also major polyhedra are found to change greatly with increasing external stress when the strain is over 2%, causing the intrinsically viscoelastic behavior. We uncover the origin of the observed super elastic strain limit under tension (including linear and viscoelastic strains) in small-sized MG samples,more » mainly caused by inhomogeneous distribution of excess volumes in the form of newly formed subatomic cavities.« less

Scaling laws and edge effects for polymer surface discharges

NASA Technical Reports Server (NTRS)

Balmain, K. G.

1979-01-01

Specimens of Mylar sheet were exposed to a 20 kV electron beam. The resulting surface discharge arcs were photographed and the discharge current into a metal backing plate measured as a function of time. The area of the Mylar sheet was defined by a round aperture in a close-fitting metal mask, and the current pulse characteristics were plotted against area on log-log paper. The plots appear as straight lines (due to power-law behavior) with slopes of 0.50 for the peak current, 1.00 for the charge released, 1.49 for the energy and 0.55 for the pulse duration. Evidence is presented for the occurrence of banded charge distributions near grounded edges, on both Teflon and Mylar.

An HST/COS Survey of the Low-redshift Intergalactic Medium. I. Survey, Methodology, and Overall Results

NASA Astrophysics Data System (ADS)

Danforth, Charles W.; Keeney, Brian A.; Tilton, Evan M.; Shull, J. Michael; Stocke, John T.; Stevans, Matthew; Pieri, Matthew M.; Savage, Blair D.; France, Kevin; Syphers, David; Smith, Britton D.; Green, James C.; Froning, Cynthia; Penton, Steven V.; Osterman, Steven N.

2016-02-01

We use high-quality, medium-resolution Hubble Space Telescope/Cosmic Origins Spectrograph (HST/COS) observations of 82 UV-bright active galactic nuclei (AGNs) at redshifts zAGN < 0.85 to construct the largest survey of the low-redshift intergalactic medium (IGM) to date: 5138 individual extragalactic absorption lines in H I and 25 different metal-ion species grouped into 2611 distinct redshift systems at zabs < 0.75 covering total redshift pathlengths ΔzH I = 21.7 and ΔzO VI = 14.5. Our semi-automated line-finding and measurement technique renders the catalog as objectively defined as possible. The cumulative column density distribution of H I systems can be parametrized d{ N }(\\gt N)/{dz} = {C}14{(N/{10}14{{cm}}-2)}-(β -1), with C14 = 25 ± 1 and β = 1.65 ± 0.02. This distribution is seen to evolve both in amplitude, {C}14\\propto {(1+z)}2.3+/- 0.1, and slope β(z) = 1.75-0.31 z for z ≤ 0.47. We observe metal lines in 418 systems, and find that the fraction of IGM absorbers detected in metals is strongly dependent on {N}{{H}{{I}}}. The distribution of O VI absorbers appears to evolve in the same sense as the Lyα forest. We calculate contributions to Ωb from different components of the low-z IGM and determine the Lyα decrement as a function of redshift. IGM absorbers are analyzed via a two-point correlation function in velocity space. We find substantial clustering of H I absorbers on scales of Δv = 50-300 km s-1 with no significant clustering at Δv ≳ 1000 km s-1. Splitting the sample into strong and weak absorbers, we see that most of the clustering occurs in strong, NH I ≳ 1013.5 cm-2, metal-bearing IGM systems. The full catalog of absorption lines and fully reduced spectra is available via the Mikulski Archive for Space Telescopes (MAST) as a high-level science product at http://archive.stsci.edu/prepds/igm/. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained from the data archive at the Space Telescope Science Institute. STScI is operated by the Association of Universities for Research in Astronomy, Inc. under NASA contract NAS5-26555.

Uncertainties in Galactic Chemical Evolution Models

DOE PAGES

Cote, Benoit; Ritter, Christian; Oshea, Brian W.; ...

2016-06-15

Here we use a simple one-zone galactic chemical evolution model to quantify the uncertainties generated by the input parameters in numerical predictions for a galaxy with properties similar to those of the Milky Way. We compiled several studies from the literature to gather the current constraints for our simulations regarding the typical value and uncertainty of the following seven basic parameters: the lower and upper mass limits of the stellar initial mass function (IMF), the slope of the high-mass end of the stellar IMF, the slope of the delay-time distribution function of Type Ia supernovae (SNe Ia), the number ofmore » SNe Ia per M ⊙ formed, the total stellar mass formed, and the final mass of gas. We derived a probability distribution function to express the range of likely values for every parameter, which were then included in a Monte Carlo code to run several hundred simulations with randomly selected input parameters. This approach enables us to analyze the predicted chemical evolution of 16 elements in a statistical manner by identifying the most probable solutions along with their 68% and 95% confidence levels. Our results show that the overall uncertainties are shaped by several input parameters that individually contribute at different metallicities, and thus at different galactic ages. The level of uncertainty then depends on the metallicity and is different from one element to another. Among the seven input parameters considered in this work, the slope of the IMF and the number of SNe Ia are currently the two main sources of uncertainty. The thicknesses of the uncertainty bands bounded by the 68% and 95% confidence levels are generally within 0.3 and 0.6 dex, respectively. When looking at the evolution of individual elements as a function of galactic age instead of metallicity, those same thicknesses range from 0.1 to 0.6 dex for the 68% confidence levels and from 0.3 to 1.0 dex for the 95% confidence levels. The uncertainty in our chemical evolution model does not include uncertainties relating to stellar yields, star formation and merger histories, and modeling assumptions.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cote, Benoit; Ritter, Christian; Oshea, Brian W.

Here we use a simple one-zone galactic chemical evolution model to quantify the uncertainties generated by the input parameters in numerical predictions for a galaxy with properties similar to those of the Milky Way. We compiled several studies from the literature to gather the current constraints for our simulations regarding the typical value and uncertainty of the following seven basic parameters: the lower and upper mass limits of the stellar initial mass function (IMF), the slope of the high-mass end of the stellar IMF, the slope of the delay-time distribution function of Type Ia supernovae (SNe Ia), the number ofmore » SNe Ia per M ⊙ formed, the total stellar mass formed, and the final mass of gas. We derived a probability distribution function to express the range of likely values for every parameter, which were then included in a Monte Carlo code to run several hundred simulations with randomly selected input parameters. This approach enables us to analyze the predicted chemical evolution of 16 elements in a statistical manner by identifying the most probable solutions along with their 68% and 95% confidence levels. Our results show that the overall uncertainties are shaped by several input parameters that individually contribute at different metallicities, and thus at different galactic ages. The level of uncertainty then depends on the metallicity and is different from one element to another. Among the seven input parameters considered in this work, the slope of the IMF and the number of SNe Ia are currently the two main sources of uncertainty. The thicknesses of the uncertainty bands bounded by the 68% and 95% confidence levels are generally within 0.3 and 0.6 dex, respectively. When looking at the evolution of individual elements as a function of galactic age instead of metallicity, those same thicknesses range from 0.1 to 0.6 dex for the 68% confidence levels and from 0.3 to 1.0 dex for the 95% confidence levels. The uncertainty in our chemical evolution model does not include uncertainties relating to stellar yields, star formation and merger histories, and modeling assumptions.« less

Effects of simulated acid rain, EDTA, or their combination, on migration and chemical fraction distribution of extraneous metals in Ferrosol.

PubMed

Wen, Fang; Hou, Hong; Yao, Na; Yan, Zengguang; Bai, Liping; Li, Fasheng

2013-01-01

A laboratory repacked soil-leaching column experiment was conducted to study the effects of simulated acid rain or EDTA by themselves or in combination, on migration and chemical speciation distribution of Pb and its alternative rare metals including Ag, Bi, In, Sb, and Sn. Experimental results demonstrate that leaching with simulated acid rain promoted the migration of Bi, In and Pb, and their migration reached down to 8 cm in the soil profile, no enhancement of Sb, Ag or Sn migration was observed. Addition of EDTA significantly enhanced the migration of all six metals, especially Bi, In and Pb. The migration of metals was in the order Pb>Bi>In>Sb>Sn>Ag. The individual and combined effects of acid rain and EDTA increased the environmental risk of metals, by increasing the soluble content of metals in soil solutions and the relative distribution of the exchangeable fraction. Leaching risks of Bi, In and Pb were higher than other three metals. Copyright © 2012 Elsevier Ltd. All rights reserved.

Size distributions and aerodynamic equivalence of metal chondrules and silicate chondrules in Acfer 059

NASA Technical Reports Server (NTRS)

Skinner, William R.; Leenhouts, James M.

1993-01-01

The CR2 chondrite Acfer 059 is unusual in that the original droplet shapes of metal chondrules are well preserved. We determined separate size distributions for metal chondrules and silicate chondrules; the two types are well sorted and have similar size distributions about their respective mean diameters of 0.74 mm and 1.44 mm. These mean values are aerodynamically equivalent for the contrasting densities, as shown by calculated terminal settling velocities in a model solar nebula. Aerodynamic equivalence and similarity of size distributions suggest that metal and silicate fractions experienced the same sorting process before they were accreted onto the parent body. These characteristics, together with depletion of iron in Acfer 059 and essentially all other chondrites relative to primitive CI compositions, strongly suggest that sorting in the solar nebula involved a radial aerodynamic component and that sorting and siderophile depletion in chondrites are closely related.

Method for uniformly distributing carbon flakes in a positive electrode, the electrode made thereby and compositions

DOEpatents

Mrazek, Franklin C.; Smaga, John A.; Battles, James E.

1983-01-01

A positive electrode for a secondary electrochemical cell wherein an electrically conductive current collector is in electrical contact with a particulate mixture of gray cast iron and an alkali metal sulfide and an electrolyte including alkali metal halides or alkaline earth metal halides. Also present may be a transition metal sulfide and graphite flakes from the conversion of gray cast iron to iron sulfide. Also disclosed is a method of distributing carbon flakes in a cell wherein there is formed an electrochemical cell of a positive electrode structure of the type described and a suitable electrolyte and a second electrode containing a material capable of alloying with alkali metal ions. The cell is connected to a source of electrical potential to electrochemically convert gray cast iron to an iron sulfide and uniformly to distribute carbon flakes formerly in the gray cast iron throughout the positive electrode while forming an alkali metal alloy in the negative electrode. Also disclosed are compositions useful in preparing positive electrodes.

Scattered radiation from dental metallic crowns in head and neck radiotherapy.

PubMed

Shimozato, T; Igarashi, Y; Itoh, Y; Yamamoto, N; Okudaira, K; Tabushi, K; Obata, Y; Komori, M; Naganawa, S; Ueda, M

2011-09-07

We aimed to estimate the scattered radiation from dental metallic crowns during head and neck radiotherapy by irradiating a jaw phantom with external photon beams. The phantom was composed of a dental metallic plate and hydroxyapatite embedded in polymethyl methacrylate. We used radiochromic film measurement and Monte Carlo simulation to calculate the radiation dose and dose distribution inside the phantom. To estimate dose variations in scattered radiation under different clinical situations, we altered the incident energy, field size, plate thickness, plate depth and plate material. The simulation results indicated that the dose at the incident side of the metallic dental plate was approximately 140% of that without the plate. The differences between dose distributions calculated with the radiation treatment-planning system (TPS) algorithms and the data simulation, except around the dental metallic plate, were 3% for a 4 MV photon beam. Therefore, we should carefully consider the dose distribution around dental metallic crowns determined by a TPS.

Scattered radiation from dental metallic crowns in head and neck radiotherapy

NASA Astrophysics Data System (ADS)

Shimozato, T.; Igarashi, Y.; Itoh, Y.; Yamamoto, N.; Okudaira, K.; Tabushi, K.; Obata, Y.; Komori, M.; Naganawa, S.; Ueda, M.

2011-09-01

We aimed to estimate the scattered radiation from dental metallic crowns during head and neck radiotherapy by irradiating a jaw phantom with external photon beams. The phantom was composed of a dental metallic plate and hydroxyapatite embedded in polymethyl methacrylate. We used radiochromic film measurement and Monte Carlo simulation to calculate the radiation dose and dose distribution inside the phantom. To estimate dose variations in scattered radiation under different clinical situations, we altered the incident energy, field size, plate thickness, plate depth and plate material. The simulation results indicated that the dose at the incident side of the metallic dental plate was approximately 140% of that without the plate. The differences between dose distributions calculated with the radiation treatment-planning system (TPS) algorithms and the data simulation, except around the dental metallic plate, were 3% for a 4 MV photon beam. Therefore, we should carefully consider the dose distribution around dental metallic crowns determined by a TPS.

Local structural aspects of metal-metal transition in IrTe2 from x-ray PDF

NASA Astrophysics Data System (ADS)

Yu, Runze; Abeykoon, Milinda; Zhou, Haidong; Yin, Weiguo; Bozin, Emil S.

Evolution of local atomic structure across the metal-metal transition in IrTe2 is explored by pair distribution function (PDF) analysis of x-ray total scattering data over 80 K

Spatial Variability and Distribution of the Metals in Surface Runoff in a Nonferrous Metal Mine

PubMed Central

Ren, Bozhi; Chen, Yangbo; Zhu, Guocheng; Wang, Zhenghua; Zheng, Xie

2016-01-01

The spatial variation and distribution features of the metals tested in the surface runoff in Xikuangshan Bao Daxing miming area were analyzed by combining statistical methods with a geographic information system (GIS). The results showed that the maximum concentrations of those five kinds of the metals (Sb, Zn, Cu, Pb, and Cd) in the surface runoff of the antimony mining area were lower than the standard value except the concentration of metal Ni. Their concentrations were 497.1, 2.0, 1.8, 22.2, and 22.1 times larger than the standard value, respectively. This metal pollution was mainly concentrated in local areas, which were seriously polluted. The variation coefficient of Sb, Zn, Cu, Ni, Pb, and Cd was between 0.4 to 0.6, wherein the Sb's spatial variability coefficient is 50.56%, indicating a strong variability. Variation coefficients of the rest of metals were less than 50%, suggesting a moderate variability. The spatial structure analysis showed that the squared correlation coefficient (R 2) of the models fitting for Sb, Zn, Cu, Ni, Pb, and Cd was between 0.721 and 0.976; the ratio of the nugget value (C 0) to the abutment value (C + C 0) was between 0.0767 and 0.559; the semivariogram of Sb, Zn, Ni, and Pb was in agreement with a spherical model, while semivariogram of Cu and Cd was in agreement with Gaussian model, and both had a strong spatial correlation. The trend and spatial distribution indicated that those pollution distributions resulting from Ni, Pb, and Cd are similar, mainly concentrated in both ends of north and south in eastern part. The main reasons for the pollution were attributed to the residents living, transportation, and industrial activities; the Sb distribution was concentrated mainly in the central part, of which the pollution was assigned to the mining and the industrial activity; the pollution distributions of Zn and Cu were similar, mainly concentrated in both ends of north and south as well as in west; the sources of the metals were widely distributed. PMID:27069713

Absorption of Manganese and Iron in a Mouse Model of Hemochromatosis

PubMed Central

Kim, Jonghan; Buckett, Peter D.; Wessling-Resnick, Marianne

2013-01-01

Hereditary hemochromatosis, an iron overload disease associated with excessive intestinal iron absorption, is commonly caused by loss of HFE gene function. Both iron and manganese absorption are regulated by iron status, but the relationships between the transport pathways of these metals and how they are affected by HFE-associated hemochromatosis remain poorly understood. Loss of HFE function is known to alter the intestinal expression of DMT1 (divalent metal transporter-1) and Fpn (ferroportin), transporters that have been implicated in absorption of both iron and manganese. Although the influence of HFE deficiency on dietary iron absorption has been characterized, potential effects on manganese metabolism have yet to be explored. To investigate the role of HFE in manganese absorption, we characterized the uptake and distribution of the metal in Hfe −/− knockout mice after intravenous, intragastric, and intranasal administration of 54Mn. These values were compared to intravenous and intragastric administration of 59Fe. Intestinal absorption of 59Fe was increased and clearance of injected 59Fe was also increased in Hfe−/− mice compared to controls. Hfe −/− mice displayed greater intestinal absorption of 54Mn compared to wild-type Hfe+/+ control mice. After intravenous injection, the distribution of 59Fe to heart and liver was greater in Hfe −/− mice but no remarkable differences were observed for 54Mn. Although olfactory absorption of 54Mn into blood was unchanged in Hfe −/− mice, higher levels of intranasally-instilled 54Mn were associated with Hfe−/− brain compared to controls. These results show that manganese transport and metabolism can be modified by HFE deficiency. PMID:23705020

Oxyanion Induced Variations in Domain Structure for Amorphous Cobalt Oxide Oxygen Evolving Catalysts, Resolved by X-ray Pair Distribution Function Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kwon, Gihan; Kokhan, Oleksandr; Han, Ali

Amorphous thin film oxygen evolving catalysts, OECs, of first-row transition metals show promise to serve as self-assembling photoanode materials in solar-driven, photoelectrochemical `artificial leaf' devices. This report demonstrates the ability to use high-energy X-ray scattering and atomic pair distribution function analysis, PDF, to resolve structure in amorphous metal oxide catalyst films. The analysis is applied here to resolve domain structure differences induced by oxyanion substitution during the electrochemical assembly of amorphous cobalt oxide catalyst films, Co-OEC. PDF patterns for Co-OEC films formed using phosphate, Pi, methylphosphate, MPi, and borate, Bi, electrolyte buffers show that the resulting domains vary in sizemore » following the sequence Pi < MPi < Bi. The increases in domain size for CoMPi and CoBi were found to be correlated with increases in the contributions from bilayer and trilayer stacked domains having structures intermediate between those of the LiCoOO and CoO(OH) mineral forms. The lattice structures and offset stacking of adjacent layers in the partially stacked CoMPi and CoBi domains were best matched to those in the LiCoOO layered structure. The results demonstrate the ability of PDF analysis to elucidate features of domain size, structure, defect content and mesoscale organization for amorphous metal oxide catalysts that are not readily accessed by other X-ray techniques. Finally, PDF structure analysis is shown to provide a way to characterize domain structures in different forms of amorphous oxide catalysts, and hence provide an opportunity to investigate correlations between domain structure and catalytic activity.« less

Oxyanion Induced Variations in Domain Structure for Amorphous Cobalt Oxide Oxygen Evolving Catalysts, Resolved by X-ray Pair Distribution Function Analysis

DOE PAGES

Kwon, Gihan; Kokhan, Oleksandr; Han, Ali; ...

2015-12-01

Amorphous thin film oxygen evolving catalysts, OECs, of first-row transition metals show promise to serve as self-assembling photoanode materials in solar-driven, photoelectrochemical `artificial leaf' devices. This report demonstrates the ability to use high-energy X-ray scattering and atomic pair distribution function analysis, PDF, to resolve structure in amorphous metal oxide catalyst films. The analysis is applied here to resolve domain structure differences induced by oxyanion substitution during the electrochemical assembly of amorphous cobalt oxide catalyst films, Co-OEC. PDF patterns for Co-OEC films formed using phosphate, Pi, methylphosphate, MPi, and borate, Bi, electrolyte buffers show that the resulting domains vary in sizemore » following the sequence Pi < MPi < Bi. The increases in domain size for CoMPi and CoBi were found to be correlated with increases in the contributions from bilayer and trilayer stacked domains having structures intermediate between those of the LiCoOO and CoO(OH) mineral forms. The lattice structures and offset stacking of adjacent layers in the partially stacked CoMPi and CoBi domains were best matched to those in the LiCoOO layered structure. The results demonstrate the ability of PDF analysis to elucidate features of domain size, structure, defect content and mesoscale organization for amorphous metal oxide catalysts that are not readily accessed by other X-ray techniques. Finally, PDF structure analysis is shown to provide a way to characterize domain structures in different forms of amorphous oxide catalysts, and hence provide an opportunity to investigate correlations between domain structure and catalytic activity.« less

Characteristics of trace metals in traffic-derived particles in Hsuehshan Tunnel, Taiwan: size distribution, fingerprinting metal ratio, and emission factor

NASA Astrophysics Data System (ADS)

Lin, Y.-C.; Tsai, C.-J.; Wu, Y.-C.; Zhang, R.; Chi, K.-H.; Huang, Y.-T.; Lin, S.-H.; Hsu, S.-C.

2014-05-01

Traffic emissions are a significant source of airborne particulate matter (PM) in ambient environments. These emissions contain high abundance of toxic metals and thus pose adverse effects on human health. Size-fractionated aerosol samples were collected from May to September 2013 by using micro-orifice uniform deposited impactor (MOUDI). Sample collection was conducted simultaneously at the inlet and outlet sites of Hsuehshan Tunnel in northern Taiwan, which is the second longest freeway tunnel (12.9 km) in Asia. Such endeavor aims to characterize the chemical constituents, size distributions, and fingerprinting ratios, as well as the emission factors of particulate metals emitted by vehicle fleets. A total of 36 metals in size-resolved aerosols were determined through inductively coupled plasma mass spectrometry. Three major groups, namely, tailpipe emissions (Zn, Pb, and V), wear debris (Cu, Cd, Fe, Ga, Mn, Mo, Sb, and Sn), and resuspended dust (Ca, Mg, K, and Rb), of airborne PM metals were categorized on the basis of the results of enrichment factor, correlation matrix, and principal component analysis. Size distributions of wear-originated metals resembled the pattern of crustal elements, which were predominated by super-micron particulates (PM1-10). By contrast, tailpipe exhaust elements such as Zn, Pb, and V were distributed mainly in submicron particles. By employing Cu as a tracer of wear abrasion, several inter-metal ratios, including Fe/Cu (14), Ba/Cu (1.05), Sb/Cu (0.16), Sn/Cu (0.10), and Ga/Cu (0.03), served as fingerprints for wear debris. Emission factor of PM10 mass was estimated to be 7.7 mg vkm-1. The metal emissions were mostly predominated in super-micron particles (PM1-10). Finally, factors that possibly affect particulate metal emissions inside Hsuehshan Tunnel are discussed.

[Spatial distribution and pollution assessment of heavy metals in the tidal reach and its adjacent sea estuary of Daliaohe area, China ].

PubMed

Zhang, Lei; Qin, Yan-wen; Ma, Ying-qun; Zhao, Yan-min; Shi, Yao

2014-09-01

The aim of this article was to explore the pollution level of heavy metals in the tidal reach and its adjacent sea estuary of Daliaohe area. The contents and spatial distribution of As, Cd, Cr, Cu, Ph and Zn in surface water, suspended solids and surface sediments were analyzed respectively. The integrated pollution index and geoaccumulation index were used to evaluate the contamination degree of heavy metals in surface water and surface sediments respectively. The results indicated that the contents of heavy metals in surface water was in the order of Pb < Cu < Cd < Cr < As < Zn. The heavy metal contents in surface water increased from river to sea. Compared with the contents of heavy metals in surface water of the typical domestic estuary in China, the overall contents of heavy metals in surface water were at a higher level. The contents of heavy metals in suspended solids was in the order of Cd < Cu < As < Cr

Temporal variations and spatial distributions of heavy metals in a wastewater-irrigated soil-eggplant system and associated influencing factors.

PubMed

Ai, Shiwei; Liu, Bailin; Yang, Ying; Ding, Jian; Yang, Wenzhi; Bai, Xiaojuan; Naeem, Sajid; Zhang, Yingmei

2018-05-30

Heavy metal pollution in farmlands is highly concerned as crops' easy-uptake of heavy metal can ultimately affect consumers. In order to offer suggestions on cultivating safe quality vegetable, specifically eggplant which is widely consumed for its nutritional value and antioxidant activity, a field study was undertaken to investigate the temporal variations and spatial distributions of heavy metals in a wastewater-irrigated soil-eggplant system. In the present study, eggplants were planted in the farmlands of Weichuan village (WC) (relatively unpolluted field), Liangzhuang village (LZ) (moderately polluted field) and Minqin village (MQ) (seriously polluted field) to elucidate their temporal uptake processes of heavy metals described by the sigmoid model. Eggplant tissues from severely polluted farmlands were found with higher heavy metal concentrations and lower yields compared with other two groups. What is more, 25 farmlands along the Dongdagou stream (heavy metals polluted stream) were chosen to analyze the spatial distribution of heavy metals in soils and eggplants. Heavy metal concentrations in eggplants decreased with the decline of heavy metal concentrations in soil from upstream (pollution source) to downstream. Moreover, several methods were employed to assess bioavailability of heavy metals in soils. All the bioavailable heavy metals were found in linear positive correlations with heavy metal concentrations. Meanwhile, linear correlations were found between heavy metals in soils and eggplants. At last, redundancy analysis was used to investigate the effects of soil properties (pH, organic matter and texture of soils) and heavy metals on eggplants' uptake. The results indicated that soil heavy metals had a dominant impact on their accumulations in eggplant fruit, with a variance contribution of 78.0%, while soil properties had a regulatory effect, with a variance contribution of 5.2%. Copyright © 2018 Elsevier Inc. All rights reserved.

Low frequency vibrational spectra and the nature of metal-oxygen bond of alkaline earth metal acetylacetonates

NASA Astrophysics Data System (ADS)

Fakheri, Hamideh; Tayyari, Sayyed Faramarz; Heravi, Mohammad Momen; Morsali, Ali

2017-12-01

Theoretical quantum chemistry calculations were used to assign the observed vibrational band frequencies of Be, Mg, Ca, Sr, and Ba acetylacetonates complexes. Density functional theory (DFT) calculations have been carried out at the B3LYP level, using LanL2DZ, def2SVP, and mixed, GenECP, (def2SVP for metal ions and 6-311++G** for all other atoms) basis sets. The B3LYP level, with mixed basis sets, was utilized for calculations of vibrational frequencies, IR intensity, and Raman activity. Analysis of the vibrational spectra indicates that there are several bands which could almost be assigned mainly to the metal-oxygen vibrations. The strongest Raman band in this region could be used as a measure of the stability of the complex. The effects of central metal on the bond orders and charge distributions in alkaline earth metal acetylacetonates were studied by the Natural Bond Orbital (NBO) method for fully optimized compounds. Optimization were performed at the B3LYP/6-311++G** level for the lighter alkaline earth metal complexes (Be, Mg, and Ca acetylacetonates) while the B3LYP level, using LanL2DZ (extrabasis, d and f on oxygen and metal atoms), def2SVP and mixed (def2SVP on metal ions and 6-311++G** for all other atoms) basis sets for all understudy complexes. Calculations indicate that the covalence nature of metal-oxygen bonds considerably decreases from Be to Ba complexes. The nature of metal-oxygen bond was further studied by using Atoms In Molecules (AIM) analysis. The topological parameters, Wiberg bond orders, natural charges of O and metal ions, and also some vibrational band frequencies were correlated with the stability constants of understudy complexes.

Distribution and Potential Toxicity of Trace Metals in the Surface Sediments of Sundarban Mangrove Ecosystem, Bangladesh

NASA Astrophysics Data System (ADS)

Kumar, A.; Ramanathan, A.; Mathukumalli, B. K. P.; Datta, D. K.

2014-12-01

The distribution, enrichment and ecotoxocity potential of Bangladesh part of Sundarban mangrove was investigated for eight trace metals (As, Cd, Cr, Cu, Fe, Mn, Pb and Zn) using sediment quality assessment indices. The average concentration of trace metals in the sediments exceeded the crustal abundance suggesting sources other than natural in origin. Additionally, the trace metals profile may be a reflection of socio-economic development in the vicinity of Sundarban which further attributes trace metals abundance to the anthropogenic inputs. Geoaccumulation index suggests moderately polluted sediment quality w.r.t. Ni and As and background concentrations for Al, Fe, Mn, Cu, Zn, Pb, Co, As and Cd. Contamination factor analysis suggested low contamination by Zn, Cr, Co and Cd, moderate by Fe, Mn, Cu and Pb while Ni and As show considerable and high contamination, respectively. Enrichment factors for Ni, Pb and As suggests high contamination from either biota or anthropogenic inputs besides natural enrichment. As per the three sediment quality guidelines, Fe, Mn, Cu, Ni, Co and As would be more of a concern with respect to ecotoxicological risk in the Sundarban mangroves. The correlation between various physiochemical variables and trace metals suggested significant role of fine grained particles (clay) in trace metal distribution whereas owing to low organic carbon content in the region the organic complexation may not be playing significant role in trace metal distribution in the Sundarban mangroves.

Concentration distribution and assessment of several heavy metals in sediments of west-four Pearl River Estuary

NASA Astrophysics Data System (ADS)

Wang, Shanshan; Cao, Zhimin; Lan, Dongzhao; Zheng, Zhichang; Li, Guihai

2008-09-01

Grain size parameters, trace metals (Co, Cu, Ni, Pb, Cr, Zn, Ba, Zr and Sr) and total organic matter (TOM) of 38 surficial sediments and a sediment core of west-four Pearl River Estuary region were analyzed. The spacial distribution and the transportation procession of the chemical element in surficial sediments were studied mainly. Multivariate statistics are used to analyses the interrelationship of metal elements, TOM and the grain size parameters. The results demonstrated that terrigenous sediment taken by the rivers are main sources of the trace metal elements and TOM, and the lithology of parent material is a dominating factor controlling the trace metal composition in the surficial sediment. In addition, the hydrodynamic condition and landform are the dominating factors controlling the large-scale distribution, while the anthropogenic input in the coastal area alters the regional distribution of heavy metal elements Co, Cu, Ni, Pb, Cr and Zn. The enrichment factor (EF) analysis was used for the differentiation of the metal source between anthropogenic and naturally occurring, and for the assessment of the anthropogenic influence, the deeper layer content of heavy metals were calculated as the background values and Zr was chosen as the reference element for Co, Cu, Ni, Pb, Cr and Zn. The result indicate prevalent enrichment of Co, Cu, Ni, Pb and Cr, and the contamination of Pb is most obvious, further more, the peculiar high EF value sites of Zn and Pb probably suggest point source input.

Some features of the trace metal biogeochemistry in the deep-sea hydrothermal vent fields (Menez Gwen, Rainbow, Broken Spur at the MAR and 9°50‧N at the EPR): A synthesis

NASA Astrophysics Data System (ADS)

Demina, Ludmila L.; Holm, Nils G.; Galkin, Sergey V.; Lein, Alla Yu.

2013-10-01

Along with summarizing the published literature and our own data some new results on properties of the trace metal biogeochemistry in the deep-sea hydrothermal ecosystems at the Mid-Atlantic Ridge (MAR) and East Pacific Rise (EPR) are shown. Differences in mean concentrations of big group of trace metals (Fe, Mn, Zn, Cu, Ni, Cr, Co, As, Pb, Cd, Ag, Hg) between the biotope water of the low- and high-temperature hydrothermal vent fields were firstly revealed. The same trace metals were studied in different groups of organisms within different temperature zones at one and the same vent field (9°50‧N EPR), as well as in fauna inhabiting geochemically different vent sites. Distribution patterns of Fe, Mn, Zn, Cu, Cd, Pb, Ag, Ni, Cr, Co, As, Se, Sb, and Hg in different taxa gave an evidence of the influence of environmental and biological parameters on their bioaccumulation in organisms. Among the animals a particular “champion” with respect to the trace metal content was found to be a polychaeta Alvinella pompejana that inhabits the hottest places of the vent sulfide chimneys of the 9°50‧N field, EPR. New data on the trace metal distribution between soft tissues and carbonate shell let us estimate a role of biomineralization in the accumulation of metals in the Bathimodiolus mussels. Contrasting geochemical behavior was revealed for Cu that is enriched in soft tissues of mussels and depleted in shells, on the one hand, and Mn that is accumulated almost totally in mussel shells, on the other hand. Deep-sea hydrothermal biological communities demonstrate a strong concentration function, and bioconcentration factors (BCF) of trace metals estimated for Bathimodiolus mussels collected at the four hydrothermal fields vary within the limits of n102-n105 and are similar to that of the littoral mussels. Due to this and to the high values of biomasses per square meter, the hydrothermal fauna may be considered as a newly discovered biological filter of the oceans.

Effect of Drying on Heavy Metal Fraction Distribution in Rice Paddy Soil

PubMed Central

Qi, Yanbing; Huang, Biao; Darilek, Jeremy Landon

2014-01-01

An understanding of how redox conditions affect soil heavy metal fractions in rice paddies is important due to its implications for heavy metal mobility and plant uptake. Rice paddy soil samples routinely undergo oxidation prior to heavy metal analysis. Fraction distribution of Cu, Pb, Ni, and Cd from paddy soil with a wide pH range was investigated. Samples were both dried according to standard protocols and also preserved under anaerobic conditions through the sampling and analysis process and heavy metals were then sequentially extracted for the exchangeable and carbonate bound fraction (acid soluble fraction), iron and manganese oxide bound fraction (reducible fraction), organic bound fraction (oxidizable fraction), and residual fraction. Fractions were affected by redox conditions across all pH ranges. Drying decreased reducible fraction of all heavy metals. Curesidual fraction, Pboxidizable fraction, Cdresidual fraction, and Niresidual fraction increased by 25%, 33%, 35%, and >60%, respectively. Pbresidual fraction, Niacid soluble fraction, and Cdoxidizable fraction decreased 33%, 25%, and 15%, respectively. Drying paddy soil prior to heavy metal analysis overestimated Pb and underestimated Cu, Ni, and Cd. In future studies, samples should be stored after injecting N2 gas to maintain the redox potential of soil prior to heavy metal analysis, and investigate the correlation between heavy metal fraction distribution under field conditions and air-dried samples. PMID:24823670

Superconductor-normal-superconductor with distributed Sharvin point contacts

DOEpatents

Holcomb, Matthew J.; Little, William A.

1994-01-01

A non-linear superconducting junction device comprising a layer of high transient temperature superconducting material which is superconducting at an operating temperature, a layer of metal in contact with the layer of high temperature superconducting material and which remains non-superconducting at the operating temperature, and a metal material which is superconducting at the operating temperature and which forms distributed Sharvin point contacts with the metal layer.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doan-Nguyen, Vicky V. T.; Subrahmanyam, Kota S.; Butala, Megan M.

Sulfur cathodes in conversion reaction batteries offer high gravimetric capacity but suffer from parasitic polysulfide shuttling. We demonstrate here that transition metal chalcogels of approximate formula MoS 3.4 achieve a high gravimetric capacity close to 600 mAh g –1 (close to 1000 mAh g –1 on a sulfur basis) as electrode materials for lithium-ion batteries. Transition metal chalcogels are amorphous and comprise polysulfide chains connected by inorganic linkers. The linkers appear to act as a “glue” in the electrode to prevent polysulfide shuttling. The Mo chalcogels function as electrodes in carbonate- and ether-based electrolytes, which further provides evidence of polysulfidemore » solubility not being a limiting issue. We employ X-ray spectroscopy and operando pair distribution function techniques to elucidate the structural evolution of the electrode. Raman and X-ray photoelectron spectroscopy track the chemical moieties that arise during the anion-redox-driven processes. As a result, we find the redox state of Mo remains unchanged across the electrochemical cycling and, correspondingly, the redox is anion-driven.« less

Impulse control disorder, lysosomal malfunction and ATP13A2 insufficiency in Parkinsonism.

PubMed

Liu, Jun-Ping; Li, Jianfeng; Lu, Yanhua; Wang, Lihui; Chen, Gang

2017-02-01

Lysosomal transport of cargos in neurons is essential for neuronal proteostasis, transmission and functional motors and behaviours. Lysosomal malfunction including storage disorders is involved in the pathogenesis of Parkinson's disease (PD). Given the unclear molecular mechanisms of diverse defects in PD phenotypes, especially behavioural deficits, this mini review explores the cellular contexts of PD impulse control disorders and the molecular aspects of lysosomal cross-membrane transports. Focuses are paid to trace metal involvements in α-synuclein assembly in Lewy bodies, the functions and molecular interactions of ATP13A2 as ATPase transporters in lysosomal membranes for cross-membrane trafficking and lysosomal homeostasis, and our current understandings of the neural circuits in ICD. Erroneously polarized distributions of cargos such as metals and lipids on each side of lysosomal membranes triggered by gene mutations and deregulated expression of ATP13A2 may thus instigate sensing protein structural changes such as aggregations, organelle degeneration, and specific neuronal ageing and death in Parkinsonism. © 2016 John Wiley & Sons Australia, Ltd.

Cooling rate dependence and local structure in aluminum monatomic metallic glass

NASA Astrophysics Data System (ADS)

Kbirou, M.; Trady, S.; Hasnaoui, A.; Mazroui, M.

2017-10-01

The local atomic structure in aluminium monatomic metallic glass is studied using molecular dynamics simulations combined with the embedded atom method (EAM). We have used a variety of analytical methods to characterise the atomic configurations of our system: the Pair Distribution Function (PDF), the Common Neighbour Analysis (CNA) and the Voronoi Tessellation Analysis. CNA was used to investigate the order change from liquid to amorphous phases, recognising that the amount of icosahedral clusters increases with the decrease of temperature. The Voronoi analysis revealed that the icosahedral-like polyhedral are the predominant ones. It has been observed that the PDF function shows a splitting in the second peak, which cannot be attributed to the only ideal icosahedral polyhedron 〈0, 0, 12, 0〉, but also to the formation of other Voronoi polyhedra 〈0, 1, 10, 2〉 . Further, the PDFs were then integrated giving the cumulative coordination number in order to compute the fractal dimension (df).

Source apportionment and water solubility of metals in size segregated particles in urban environments.

PubMed

Jiang, Sabrina Yanan; Kaul, Daya S; Yang, Fenhuan; Sun, Li; Ning, Zhi

2015-11-15

Metals in atmospheric particulate matter (PM) have been associated with various adverse health effects. Different factors contributing to the characterization and distribution of atmospheric metals in urban environments lead to uncertainty of the understanding of their impact on public health. However, few studies have provided a comprehensive picture of the spatial and seasonal variability of metal concentration, solubility and size distribution, all of which have important roles in their contribution to health effects. This study presents an experimental investigation on the characteristics of metals in PM2.5 and coarse PM in two seasons from four urban sites in Hong Kong. The PM samples were extracted separately with aqua regia and water, and a total of sixteen elements were analyzed using ICP-MS and ICP-OES to determine the size segregated concentration and solubility of metals. The concentrations of major metals were distributed in similar patterns with the same order of magnitude among different urban sites. Source apportionment using Positive Matrix Factorization (PMF) indicated that three sources namely road dust, vehicular exhaust and ship emission are major contributors to the urban atmospheric metal concentrations in Hong Kong with distinctly different profiles between coarse PM and PM2.5 fractions. The individual metals were assigned to different sources, consistent with literature documentation, except potassium emerging with substantial contribution from vehicle exhaust emission. Literature data from past studies on both local and other cities were compared to the results from the present study to investigate the impact of different emission sources and control policies on metal distribution in urban atmosphere. A large variation of solubility among the metals reflected that the majority of metals in PM2.5 were more soluble than those in coarse PM indicating size dependent chemical states of metals. The data from this study provides a rich dataset of metals in urban atmosphere and can be useful for targeted emission control to mitigate the adverse impact of metallic pollution on public health. Copyright © 2015 Elsevier B.V. All rights reserved.

Impact of Multifunctional Bimetallic Materials on Lithium Battery Electrochemistry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Durham, Jessica L.; Poyraz, Altug S.; Takeuchi, Esther S.

Electric energy storage devices such as batteries are complex systems comprised of a variety of materials with each playing separate yet interactive roles, complicated by length scale interactions occurring from the molecular to the mesoscale. Thus, addressing specific battery issues such as functional capacity requires a comprehensive perspective initiating with atomic level concepts. For example, the electroactive materials which contribute to the functional capacity in a battery comprise approximately 30% or less of the total device mass. Thus, the design and implementation of multifunctional materials can conceptually reduce or eliminate the contribution of passive materials to the size and massmore » of the final system. Material multi-functionality can be achieved through appropriate material design on the atomic level resulting in bimetallic electroactive materials where one metal cation forms mesoscale conductive networks upon discharge while the other metal cation can contribute to atomic level structure and net functional secondary capacity, a device level issue. Specifically, this Account provides insight into the multi-mechanism electrochemical redox processes of bimetallic cathode materials based on transition metal oxides (MM’O) or phosphorous oxides (MM’PO) where M = Ag and M’ = V or Fe. One discharge process can be described as reduction-displacement where Ag + is reduced to Ag 0 and displaced from the parent structure. This reduction-displacement reaction in silver-containing bimetallic electrodes allows for the in-situ formation of a conductive network, enhancing the electrochemical performance of the electrode and reducing or eliminating the need for conductive additives. A second discharge process occurs through the reduction of the second transition metal, V or Fe, where the oxidation state of the metal center is reduced and lithium cations are inserted into the structure. As both metal centers contribute to the functional capacity, determining the kinetically and thermodynamically preferred reduction processes at various states of discharge is critical to elucidating the mechanism. Specific advanced in-situ and ex-situ characterization techniques are conducive to gaining insight regarding the electrochemical behavior of these multifunctional materials over multiple length scales. At the material level, optical microscopy, scanning electron microscopy, and local conductivity measurement via a nanoprobe can track the discharge mechanism of an isolated single particle. At the mesoscale electrode level, in-situ data from synchrotron based energy dispersive X-ray diffraction (EDXRD) within fully intact steel batteries can be used to spatially map the distribution of silver metal generated through reduction displacement as a function of discharge depth and discharge rate. As illustrated here, appropriate design of materials with multiple electrochemically active metal centers and properties tuned through strategically conceptualized materials synthesis may provide a path toward the next generation of high energy content electroactive materials and systems. In conclusion, full understanding of the multiple electrochemical mechanisms can be achieved only by utilizing advanced characterization tools over multiple length scales.« less

Impact of Multifunctional Bimetallic Materials on Lithium Battery Electrochemistry

DOE PAGES

Durham, Jessica L.; Poyraz, Altug S.; Takeuchi, Esther S.; ...

2016-08-26

Electric energy storage devices such as batteries are complex systems comprised of a variety of materials with each playing separate yet interactive roles, complicated by length scale interactions occurring from the molecular to the mesoscale. Thus, addressing specific battery issues such as functional capacity requires a comprehensive perspective initiating with atomic level concepts. For example, the electroactive materials which contribute to the functional capacity in a battery comprise approximately 30% or less of the total device mass. Thus, the design and implementation of multifunctional materials can conceptually reduce or eliminate the contribution of passive materials to the size and massmore » of the final system. Material multi-functionality can be achieved through appropriate material design on the atomic level resulting in bimetallic electroactive materials where one metal cation forms mesoscale conductive networks upon discharge while the other metal cation can contribute to atomic level structure and net functional secondary capacity, a device level issue. Specifically, this Account provides insight into the multi-mechanism electrochemical redox processes of bimetallic cathode materials based on transition metal oxides (MM’O) or phosphorous oxides (MM’PO) where M = Ag and M’ = V or Fe. One discharge process can be described as reduction-displacement where Ag + is reduced to Ag 0 and displaced from the parent structure. This reduction-displacement reaction in silver-containing bimetallic electrodes allows for the in-situ formation of a conductive network, enhancing the electrochemical performance of the electrode and reducing or eliminating the need for conductive additives. A second discharge process occurs through the reduction of the second transition metal, V or Fe, where the oxidation state of the metal center is reduced and lithium cations are inserted into the structure. As both metal centers contribute to the functional capacity, determining the kinetically and thermodynamically preferred reduction processes at various states of discharge is critical to elucidating the mechanism. Specific advanced in-situ and ex-situ characterization techniques are conducive to gaining insight regarding the electrochemical behavior of these multifunctional materials over multiple length scales. At the material level, optical microscopy, scanning electron microscopy, and local conductivity measurement via a nanoprobe can track the discharge mechanism of an isolated single particle. At the mesoscale electrode level, in-situ data from synchrotron based energy dispersive X-ray diffraction (EDXRD) within fully intact steel batteries can be used to spatially map the distribution of silver metal generated through reduction displacement as a function of discharge depth and discharge rate. As illustrated here, appropriate design of materials with multiple electrochemically active metal centers and properties tuned through strategically conceptualized materials synthesis may provide a path toward the next generation of high energy content electroactive materials and systems. In conclusion, full understanding of the multiple electrochemical mechanisms can be achieved only by utilizing advanced characterization tools over multiple length scales.« less

Quantitative Transmission Electron Microscopy of Nanoparticles and Thin-Film Formation in Electroless Metallization of Polymeric Surfaces

NASA Astrophysics Data System (ADS)

Dutta, Aniruddha; Heinrich, Helge; Kuebler, Stephen; Grabill, Chris; Bhattacharya, Aniket

2011-03-01

Gold nanoparticles(Au-NPs) act as nucleation sites for electroless deposition of silver on functionalized SU8 polymeric surfaces. Here we report the nanoscale morphology of Au and Ag nanoparticles as studied by Transmission Electron Microscopy (TEM). Scanning TEM with a high-angle annular dark-field detector is used to obtain atomic number contrast. From the intensity-calibrated plan-view scanning TEM images we determine the mean thickness and the volume distribution of the Au-NPs on the surface of the functionalized polymer. We also report the height and the radius distribution of the gold nanoparticles obtained from STEM images taking into consideration the experimental errors. The cross sectional TEM images yield the density and the average distance of the Au and Ag nanoparticles on the surface of the polymer. Supported by grant NSF, Chemistry Division.

[Evaluation on environmental quality of heavy metals in soils and vegetables based on geostatistics and GIS].

PubMed

Xie, Zheng-miao; Li, Jing; Wang, Bi-ling; Chen, Jian-jun

2006-10-01

Contents of heavy metals (Pb, Zn, Cd, Cu) in soils and vegetables from Dongguan town in Shangyu city, China were studied using geostatistical analysis and GIS technique to evaluate environmental quality. Based on the evaluation criteria, the distribution of the spatial variability of heavy metals in soil-vegetable system was mapped and analyzed. The results showed that the distribution of soil heavy metals in a large number of soil samples in Dongguan town was asymmetric. The contents of Zn and Cu were lower than those of Cd and Pb. The concentrations distribution of Pb, Zn, Cd and Cu in soils and vegetables were different in spatial variability. There was a close relationship between total and available contents of heavy metals in soil. The contents of Pb and Cd in green vegetables were higher than those of Zn and Cu and exceeded the national sanitation standards for vegetables.

SU-F-T-443: Quantification of Dosimetric Effects of Dental Metallic Implant On VMAT Plans

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, C; Jiang, W; Feng, Y

Purpose: To evaluate the dosimetric impact of metallic implant that correlates with the size of targets and metallic implants and distance in between on volumetric-modulated arc therapy (VMAT) plans for head and neck (H&N) cancer patients with dental metallic implant. Methods: CT images of H&N cancer patients with dental metallic implant were used. Target volumes with different sizes and locations were contoured. Metal artifact regions excluding surrounding critical organs were outlined and assigned with CT numbers close to water (0HU). VMAT plans with half-arc, one-full-arc and two-full-arcs were constructed and same plans were applied to structure sets with and withoutmore » CT number assignment of metal artifact regions and compared. D95% was utilized to investigate PTV dose coverage and SNC Patient− Software was used for the analysis of dose distribution difference slice by slice. Results: For different targets sizes, variation of PTV dose coverage (Delta-D95%) with and without CT number replacement reduced with larger target volume for all half-arc, one-arc and two-arc VMAT plans even though there were no clinically significant differences. Additionally, there were no significant variations of the maximum percent difference (max.%diff) of dose distribution. With regard to the target location, Delta-D95% and max. %diff dropped with increasing distance between target and metallic implant. Furthermore, half-arc plans showed greater impact than one-arc plans, and two-arc plans had smallest influence for PTV dose coverage and dose distribution. Conclusion: The target size has less correlation of doseimetric impact than the target location relative to metallic implants. Plans with more arcs alleviate the dosimetric effect of metal artifact because of less contribution to the target dose from beams going through the regions with metallic artifacts. Incorrect CT number causes inaccurate dose distribution, therefore appropriately overwriting metallic artifact regions with reasonable CT numbers is recommended. More patient data are collected and under further analysis.« less

Exploratory study and application of the angular wavelet analysis for assessing the spatial distribution of breakdown spots in Pt/HfO2/Pt structures

NASA Astrophysics Data System (ADS)

Muñoz-Gorriz, J.; Monaghan, S.; Cherkaoui, K.; Suñé, J.; Hurley, P. K.; Miranda, E.

2017-12-01

The angular wavelet analysis is applied for assessing the spatial distribution of breakdown spots in Pt/HfO2/Pt capacitors with areas ranging from 104 to 105 μm2. The breakdown spot lateral sizes are in the range from 1 to 3 μm, and they appear distributed on the top metal electrode as a point pattern. The spots are generated by ramped and constant voltage stresses and are the consequence of microexplosions caused by the formation of shorts spanning the dielectric film. This kind of pattern was analyzed in the past using the conventional spatial analysis tools such as intensity plots, distance histograms, pair correlation function, and nearest neighbours. Here, we show that the wavelet analysis offers an alternative and complementary method for testing whether or not the failure site distribution departs from a complete spatial randomness process in the angular domain. The effect of using different wavelet functions, such as the Haar, Sine, French top hat, Mexican hat, and Morlet, as well as the roles played by the process intensity, the location of the voltage probe, and the aspect ratio of the device, are all discussed.

Determination of work function of graphene under a metal electrode and its role in contact resistance.

PubMed

Song, Seung Min; Park, Jong Kyung; Sul, One Jae; Cho, Byung Jin

2012-08-08

Although the work function of graphene under a given metal electrode is critical information for the realization of high-performance graphene-based electronic devices, relatively little relevant research has been carried out to date. In this work, the work function values of graphene under various metals are accurately measured for the first time through a detailed analysis of the capacitance-voltage (C-V) characteristics of a metal-graphene-oxide-semiconductor (MGOS) capacitor structure. In contrast to the high work function of exposed graphene of 4.89-5.16 eV, the work function of graphene under a metal electrode varies depending on the metal species. With a Cr/Au or Ni contact, the work function of graphene is pinned to that of the contacted metal, whereas with a Pd or Au contact the work function assumes a value of ∼4.62 eV regardless of the work function of the contact metal. A study of the gate voltage dependence on the contact resistance shows that the latter case provides lower contact resistance.

The distribution and extent of heavy metal accumulation in song sparrows along Arizona's upper Santa Cruz River

USGS Publications Warehouse

Lester, Michael B.; van Riper, Charles

2014-01-01

Heavy metals are persistent environmental contaminants, and transport of metals into the environment poses a threat to ecosystems, as plants and wildlife are susceptible to long-term exposure, bioaccumulation, and potential toxicity. We investigated the distribution and cascading extent of heavy metal accumulation in southwestern song sparrows (Melospiza melodia fallax), a resident riparian bird species that occurs along the US/Mexico border in Arizona’s upper Santa Cruz River watershed. This study had three goals: (1) quantify the degree of heavy metal accumulation in sparrows and determine the distributional patterns among study sites, (2) compare concentrations of metals found in this study to those found in studies performed prior to a 2009 international wastewater facility upgrade, and (3) assess the condition of song sparrows among sites with differing potential levels of exposure. We examined five study sites along with a reference site that reflect different potential sources of contamination. Body mass residuals and leukocyte counts were used to assess sparrow condition. Birds at our study sites typically had higher metal concentrations than birds at the reference site. Copper, mercury, nickel, and selenium in song sparrows did exceed background levels, although most metals were below background concentrations determined from previous studies. Song sparrows generally showed lower heavy metal concentrations compared to studies conducted prior to the 2009 wastewater facility upgrade. We found no cascading effects as a result of metal exposure.

Subcellular partitioning of metals in Aporrectodea caliginosa along a gradient of metal exposure in 31 field-contaminated soils.

PubMed

Beaumelle, Léa; Gimbert, Frédéric; Hedde, Mickaël; Guérin, Annie; Lamy, Isabelle

2015-07-01

Subcellular fractionation of metals in organisms was proposed as a better way to characterize metal bioaccumulation. Here we report the impact of a laboratory exposure to a wide range of field-metal contaminated soils on the subcellular partitioning of metals in the earthworm Aporrectodea caliginosa. Soils moderately contaminated were chosen to create a gradient of soil metal availability; covering ranges of both soil metal contents and of several soil parameters. Following exposure, Cd, Pb and Zn concentrations were determined both in total earthworm body and in three subcellular compartments: cytosolic, granular and debris fractions. Three distinct proxies of soil metal availability were investigated: CaCl2-extractable content dissolved content predicted by a semi-mechanistic model and free ion concentration predicted by a geochemical speciation model. Subcellular partitionings of Cd and Pb were modified along the gradient of metal exposure, while stable Zn partitioning reflected regulation processes. Cd subcellular distribution responded more strongly to increasing soil Cd concentration than the total internal content, when Pb subcellular distribution and total internal content were similarly affected. Free ion concentrations were better descriptors of Cd and Pb subcellular distribution than CaCl2 extractable and dissolved metal concentrations. However, free ion concentrations and soil total metal contents were equivalent descriptors of the subcellular partitioning of Cd and Pb because they were highly correlated. Considering lowly contaminated soils, our results raise the question of the added value of three proxies of metal availability compared to soil total metal content in the assessment of metal bioavailability to earthworm. Copyright © 2015 Elsevier B.V. All rights reserved.

The Effect of Metal Composition on Fe-Ni Partition Behavior between Olivine and FeNi-Metal, FeNi-Carbide, FeNi-Sulfide at Elevated Pressure

NASA Technical Reports Server (NTRS)

Holzheid, Astrid; Grove, Timothy L.

2005-01-01

Metal-olivine Fe-Ni exchange distribution coefficients were determined at 1500 C over the pressure range of 1 to 9 GPa for solid and liquid alloy compositions. The metal alloy composition was varied with respect to the Fe/Ni ratio and the amount of dissolved carbon and sulfur. The Fe/Ni ratio of the metal phase exercises an important control on the abundance of Ni in the olivine. The Ni abundance in the olivine decreases as the Fe/Ni ratio of the coexisting metal increases. The presence of carbon (up to approx. 3.5 wt.%) and sulfur (up to approx. 7.5 wt.%) in solution in the liquid Fe-Ni-metal phase has a minor effect on the partitioning of Fe and Ni between metal and olivine phases. No pressure dependence of the Fe-Ni-metal-olivine exchange behavior in carbon- and sulfur-free and carbon- and sulfur-containing systems was found within the investigated pressure range. To match the Ni abundance in terrestrial mantle olivine, assuming an equilibrium metal-olivine distribution, a sub-chondritic Fe/Ni-metal ratio that is a factor of 17 to 27 lower than the Fe/Ni ratios in estimated Earth core compositions would be required, implying higher Fe concentrations in the core forming metal phase. A simple metal-olivine equilibrium distribution does not seem to be feasible to explain the Ni abundances in the Earth's mantle. An equilibrium between metal and olivine does not exercise a control on the problem of Ni overabundance in the Earth's mantle. The experimental results do not contradict the presence of a magma ocean at the time of terrestrial core formation, if olivine was present in only minor amounts at the time of metal segregation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goudfrooij, Paul, E-mail: goudfroo@stsci.edu

We study mass functions of globular clusters derived from Hubble Space Telescope/Advanced Camera for Surveys images of the early-type merger remnant galaxy NGC 1316, which hosts a significant population of metal-rich globular clusters of intermediate age ({approx}3 Gyr). For the old, metal-poor ({sup b}lue{sup )} clusters, the peak mass of the mass function M{sub p} increases with internal half-mass density {rho}{sub h} as M{sub p}{proportional_to}{rho}{sub h}{sup 0.44}, whereas it stays approximately constant with galactocentric distance R{sub gal}. The mass functions of these clusters are consistent with a simple scenario in which they formed with a Schechter initial mass function andmore » evolved subsequently by internal two-body relaxation. For the intermediate-age population of metal-rich ({sup r}ed{sup )} clusters, the faint end of the previously reported power-law luminosity function of the clusters with R{sub gal} > 9 kpc is due to many of those clusters having radii larger than the theoretical maximum value imposed by the tidal field of NGC 1316 at their R{sub gal}. This renders disruption by two-body relaxation ineffective. Only a few such diffuse clusters are found in the inner regions of NGC 1316. Completeness tests indicate that this is a physical effect. Using comparisons with star clusters in other galaxies and cluster disruption calculations using published models, we hypothesize that most red clusters in the low-{rho}{sub h} tail of the initial distribution have already been destroyed in the inner regions of NGC 1316 by tidal shocking, and that several remaining low-{rho}{sub h} clusters will evolve dynamically to become similar to 'faint fuzzies' that exist in several lenticular galaxies. Finally, we discuss the nature of diffuse red clusters in early-type galaxies.« less

Trace Element Speciation and Distribution Study at Shewanella oneidensis MR-1 Biofilm/Mineral/Water Interfaces

NASA Astrophysics Data System (ADS)

Gelabert, A.; Wang, Y.; Gescher, J.; Ha, J.; Cordova, C. D.; Singer, D. M.; Spormann, A. M.; Trainor, T. P.; Eng, P. J.; Brown, G. E.

2006-12-01

Fe- and Al-(oxyhydr)oxides are among the most reactive mineral surfaces contacted by surface and ground waters, and thus they constitute important sorbents for heavy metal and metalloid ions. As microbial biofilms may be present as coatings on these minerals, they are likely to induce major changes in surface charges and sorption capacities for metal(loid) ions compared to biofilm-free mineral surfaces. In addition, the micro- environments in biofilms can be quite different from those in bulk solutions, which can enhance (or inhibit) metal adsorption on mineral surfaces and produce biominerals that are not predicted by equilibrium thermodynamics based on the bulk solution values. In order to provide a more quantitative understanding of these effects, we have carried out a study of the interaction of Zn(II), Pb(II), and As(V) with Shewanella oneidensis (wild type, EPS-deficient mutant, and ppx- and ppk-deficient mutants) grown on highly polished and oriented single crystal surfaces of α-Al2O3 (1-102) and α-Fe2O3 (0001). This gram-negative bacterium commonly found in soil and sediments can use a wide range of electron donors and terminal electron acceptors including Fe(III) and Mn(IV) oxides under anaerobic conditions. In-situ ATR-FTIR analyses and potentiometric titrations of S. oneidensis biofilm collected from a glass bead-filled column inoculated with S. oneidensis were conducted in order to determine the nature of functional groups present on the bacterial surfaces, to quantify the site densities and protonation constants for these groups, and to determine the electrostatic parameters for S. oneidensis surfaces. GI-XAFS analyses performed on BL 11-2 at SSRL, together with macroscopic metal adsorption experiments as a function of pH (2 to 6.5), metal concentration (10-3 to 10-7 M), and ionic strength (10-1 to 10-3 M), were used to determine ion speciation and local coordination environments in the biofilm and to develop a surface complexation model describing the interactions among biofilm, metal(loid)s, and mineral surfaces. The long-period X-ray Standing Wave- fluorescent yield (XSW-FY) method, performed on BL ID-13-C at the APS, was used to obtain quantitative in situ information on the partitioning of Zn(II), Pb(II), and As(V) at these interfaces as a function of pH and ion concentration. XSW-FY results show that S. oneidensis biofilms do not block reactive sites on the hematite or alumina surfaces under our experimental conditions, which is consistent with the conclusion of our previous studies on trace element distributions at Burkholderia cepacia/mineral/water interfaces. Comparison of the observed trace element partitioning measured by XSW-FY with theoretical predictions of partitioning through thermodynamic models (using binding constants of metal(loid)s with the biofilm determined in this study and published binding constants of metal(loid)s with mineral substrates) allows us to describe biofilm local microenvironments and to understand how the biofilm coatings affect the reactivity of mineral surfaces.

Lusters of renaissance pottery: Experimental and theoretical optical properties using inhomogeneous theories

NASA Astrophysics Data System (ADS)

Berthier, S.; Padeletti, G.; Fermo, P.; Bouquillon, A.; Aucouturier, M.; Charron, E.; Reillon, V.

2006-06-01

Luster decoration of medieval and renaissance potteries constitutes one of the most important and sophisticated decoration techniques of the Mediterranean basin. Lusters consist in a thin layer of silver and copper nanocrystals immersed in a dielectric matrix. Different physical phenomena are responsible for the very brilliant and complex colored effect produced by the lusters. On one hand, according to the thickness of the thin layer, interferential effects occur giving rise to a classical iridescent effect. On the other hand, the nanostructure of the metallic compound leads to extra absorption, generally observed in the visible or near infrared, due to an external resonance associated with the excitation of a surface plasmon in the metallic particles. The position of this resonance, and so the color of the film, depends from many parameters, mainly: (1) the relative volume fraction p of the metal inclusions. (2) The mean size of the metal particle. (3) The shape of the particles and (4) the dielectric functions of the constituents. These two phenomena are not independent as the second one greatly affects the dielectric function of the film and, thus, its optical thickness. In this paper, the physical and optical properties of various lusters from Deruta and Gubbio (Italy) of the XVI century are presented. The structure and the composition of the different films have been determined by scanning electron microscope (SEM), ion beam analyses (PIXE and RBS) and low incidence X-ray diffraction. The optical properties have been determined by two different techniques: (a) hemispherical spectroscopic measurements under near-normal incidence; (b) gonioscopic measurements for a given angle of incidence and wavelength. The first one allows the determination of the effective index of refraction of the inhomogeneous layer, and the second one the determination of the bidirectional reflectance distribution function (BRDF) of the material.

Novel Binders and Methods for Agglomeration of Ore

DOE Office of Scientific and Technical Information (OSTI.GOV)

S. K. Kawatra; T. C. Eisele; K. A. Lewandowski

2006-12-31

Many metal extraction operations, such as leaching of copper, leaching of precious metals, and reduction of metal oxides to metal in high-temperature furnaces, require agglomeration of ore to ensure that reactive liquids or gases are evenly distributed throughout the ore being processed. Agglomeration of ore into coarse, porous masses achieves this even distribution of fluids by preventing fine particles from migrating and clogging the spaces and channels between the larger ore particles. Binders are critically necessary to produce agglomerates that will not break down during processing. However, for many important metal extraction processes there are no binders known that willmore » work satisfactorily. Primary examples of this are copper heap leaching, where there are no binders that will work in the acidic environment encountered in this process, and advanced ironmaking processes, where binders must function satisfactorily over an extraordinarily large range of temperatures (from room temperature up to over 1200 C). As a result, operators of many facilities see a large loss of process efficiency due to their inability to take advantage of agglomeration. The large quantities of ore that must be handled in metal extraction processes also means that the binder must be inexpensive and useful at low dosages to be economical. The acid-resistant binders and agglomeration procedures developed in this project will also be adapted for use in improving the energy efficiency and performance of a broad range of mineral agglomeration applications, particularly heap leaching and advanced primary ironmaking. This project has identified several acid-resistant binders and agglomeration procedures that can be used for improving the energy efficiency of heap leaching, by preventing the ''ponding'' and ''channeling'' effects that currently cause reduced recovery and extended leaching cycle times. Methods have also been developed for iron ore processing which are intended to improve the performance of pellet binders, and have directly saved energy by increasing filtration rates of the pelletization feed by as much as 23%.« less

Method of imaging the electrical conductivity distribution of a subsurface

DOEpatents

Johnson, Timothy C.

2017-09-26

A method of imaging electrical conductivity distribution of a subsurface containing metallic structures with known locations and dimensions is disclosed. Current is injected into the subsurface to measure electrical potentials using multiple sets of electrodes, thus generating electrical resistivity tomography measurements. A numeric code is applied to simulate the measured potentials in the presence of the metallic structures. An inversion code is applied that utilizes the electrical resistivity tomography measurements and the simulated measured potentials to image the subsurface electrical conductivity distribution and remove effects of the subsurface metallic structures with known locations and dimensions.

A Method to Formulate the Unit Cell for Density Functional Theory (DFT) Calculations of the Electronic Band Structure of Heterostructures of Two-dimensional Nanosheets

DTIC Science & Technology

2015-04-01

distribution is unlimited. i CONTENTS Page Introduction 1 Two-dimensional Material Geometry and Analogs with Close-packed Systems 1 Matching... System Lattice Vectors: An Optimization Problem 1 Generating the System Unit Cell 3 Transition Metal Dichalcogenides (TMDCS) with Mismatched... system being analyzed. The creation of a unit cell that accurately describes the system remains one of the largest challenges for DFT calculations

Phosphoniums as catalysts for metal-free polymerization: Synthesis of well-defined poly(propylene oxide)

NASA Astrophysics Data System (ADS)

Zhang, Jie; Liu, Quan; Ren, Haojun; Zhang, Nanjie; Li, Pengfei; Yang, Kang

2017-11-01

The anionic ring-opening polymerization of propylene oxide (PO) was initiated with glycerol and catalyzed by three new synthetic phosphonium salts, tetrakis (pyrrolidino) phosphonium (Py4P1+), tetrakis (piperidino) phosphonium (Pi4P1+), tetrakis (morpholino) phosphonium (Mo4P1+), and the known tetrakis [cyclohexyl (methyl) amino] phosphonium (Cy4P1+) and tetrakis [tris (dimethylamino) phosphonoamino] phosphazene (P5+). The effects of substituents on the polymerization behavior, especially the molecular weight and its distribution, degree of unsaturation, and the sequential structures of poly (propylene oxide) (PPO) were investigated. The structures of these catalysts and PPOs were characterized by FT-IR, 1H and 13C NMR, and GPC. The results indicate that Cy4P1+, Py4P1+, and Pi4P1+ have lower optimum reaction temperatures at 90, 70, and 70 °C, respectively, and are better than traditional catalysts KOH and double metal cyanide. PPO samples with high molecular weight, narrow polydispersity, and high functionality were accessible when catalyzed with Cy4P1+, Pi4P1+, and P5+ at the optimum temperature. Notably, Pi4P1+ formed unimodal distribution PPO with 9000 g/mol, 2.93 of functionality, and 0.008 mmol/g degree of unsaturation. Majority segments of PPO from five catalysts adopted the stereoregular head-to-tail structure, exhibiting excellent regularity.

Ab initio study of ceria films for resistive switching memory applications

NASA Astrophysics Data System (ADS)

Firdos, Mehreen; Hussain, Fayyaz; Imran, Muhammad; Ismail, Muhammad; Rana, A. M.; Arshad Javid, M.; Majid, Abdul; Arif Khalil, R. M.; Ullah, Hafeez

2017-10-01

The aim of this study is to investigate the charge distribution/relocation activities in relation to resistive switching (RS) memory behavior in the metal/insulator/metal (MIM) structure of Zr/CeO2/Pt hybrid layers. The Zr layer is truly expected to act not only as an oxygen ion extraction layer but also as an ion barrier by forming a ZrO2 interfacial layer. Such behavior of the Zr not only introduces a high concentration of oxygen vacancies to the active CeO2 layer but also enhances the resistance change capability. Such Zr contributions have been explored by determining the work function, charge distribution and electronic properties with the help of density functional theory (DFT) based on the generalized gradient approximation (GGA). In doped CeO2, the dopant (Zr) plays a significant role in the formation of defect states, such as oxygen vacancies, which are necessary for generating conducting filaments. The total density of state (DOS) analyses reveal that the existence of impurity states in the hybrid system considerably upgrade the performance of charge transfer/accumulation, consequently leading to enhanced RS behavior, as noticed in our earlier experimental results on Zr/CeO2/Pt devices. Hence it can be concluded that the present DFT studies can be implemented on CeO2-based RRAM devices, which have skyscraping potential for future nonvolatile memory (NVM) applications.

Method for reducing measurement errors of a Langmuir probe with a protective RF shield

NASA Astrophysics Data System (ADS)

Riaby, V.; Masherov, P.; Savinov, V.; Yakunin, V.

2018-04-01

Probe measurements were conducted in the middle cross-section of an inductive, low-pressure xenon plasma using a straight cylindrical Langmuir probe with a bare metal shield that protected the probe from radio frequency interference. As a result, reliable radial distributions of the plasma parameters were obtained. Subsequent analyses of these measurements revealed that the electron energy distribution function (EEDF) deviated substantially from the Maxwellian functions and that this deviation depended on the length of the probe shield. To evaluate the shield's influence on the measurement results, in addition to the probe (which was moved radially as its shield length varied in the range of lsh1 = lmax-0), an additional L-shaped probe was inserted at a different location. This probe was moved differently from the first probe and provided confirmational measurements in the common special position where lsh1 = 0 and lsh2 ≠ 0. In this position, the second shield decreased all the plasma parameters. A comparison of the probe datasets identified the principles of the relationships between measurement errors and EEDF distortions caused by the bare probe shields. This dependence was used to correct the measurements performed using the first probe by eliminating the influence of its shield. Physical analyses based on earlier studies showed that these peculiarities are caused by a short-circuited double-probe effect that occurs in bare metal probe protective shields.

Theoretical and experimental research on laser-beam homogenization based on metal gauze

NASA Astrophysics Data System (ADS)

Liu, Libao; Zhang, Shanshan; Wang, Ling; Zhang, Yanchao; Tian, Zhaoshuo

2018-03-01

Method of homogenization of CO2 laser heating by means of metal gauze is researched theoretically and experimentally. Distribution of light-field of expanded beam passing through metal gauze was numerically calculated with diffractive optical theory and the conclusion is that method is effective, with comparing the results to the situation without metal gauze. Experimentally, using the 30W DC discharge laser as source and enlarging beam by concave lens, with and without metal gauze, beam intensity distributions in thermal paper were compared, meanwhile the experiments based on thermal imager were performed. The experimental result was compatible with theoretical calculation, and all these show that the homogeneity of CO2 laser heating could be enhanced by metal gauze.

The mobility and distribution of heavy metals during the formation of first cycle red beds.

USGS Publications Warehouse

Zielinski, R.A.; Bloch, S.; Walker, T.R.

1983-01-01

Analysis of the heavy metal content in a Holocene-Pliocene red bed sequence near San Felipe in N Baja California, Mexico, has yielded new information on the mobility and distribution of these metals during ageing of iron oxyhydroxides from the amorphous to the crystalline state. Whole-rock samples (27) and a series of successive leachates were analysed for V, Al, Cr, Mn, Fe, Co, Ni, Cu and Zn by ICP spectrometry and for U by a delayed neutron technique. These data are supported by a variety of other mineralogical and petrographical observations. The results indicate that the metal content of the samples is predominantly inherited from the constituent detrital minerals. Reddening of the whole-rock samples does not promote major open-system migration of the heavy metals; rather, contained metals redistribute themselves on an intergranular scale, moving from detrital mineral hosts to the secondary iron oxides. The amount of secondary iron oxides and the fraction of whole-rock metals associated with these oxides increase during red-bed development. In addition, the abundance of well- crystallized iron oxides increases during this period. Differences in the leaching efficiency for various metals are related to differences in metal site distribution and intergranular permeability. Inferred conditions for rapid vs limited removal of metals from red beds are summarized. It is suggested that developed red beds which are well flushed by suitable pore fluids may be sources of significant quantities of heavy metals. -J.E.S.

Contamination source apportionment and health risk assessment of heavy metals in soil around municipal solid waste incinerator: A case study in North China.

PubMed

Ma, Wenchao; Tai, Lingyu; Qiao, Zhi; Zhong, Lei; Wang, Zhen; Fu, Kaixuan; Chen, Guanyi

2018-08-01

Few studies have comprehensively taken into account the source apportionment and human health risk of soil heavy metals in the vicinity of municipal solid waste incinerator (MSWI) in high population density area. In this study, 8 elements (Cr, Pb, Cu, Ni, Zn, Cd, Hg, and As) in fly ash, soil samples from different functional areas and vegetables collected surrounding the MSWI in North China were determined. The single pollution index, integrated Nemerow pollution index, principal component analysis (PCA), absolute principle component score-multiple linear regression (APCS-MLR) model and dose-response model were used in this study. The results showed that the soils around the MSWI were moderately polluted by Cu, Pb, Zn, and Hg, and heavily polluted by As and Cd. MSWI had a significant influence on the distribution of soil heavy metals in different distances from MSWI. The source apportionment results showed that MSWI, natural source, industrial discharges and coal combustion were the four major potential sources for heavy metals in the soils, with the contributions of 36.08%, 29.57%, 10.07%, and 4.55%, respectively. MSWI had a major impact on Zn, Cu, Pb, Cd, and Hg contamination in soil. The non-carcinogenic risk and carcinogenic risk posed by soil heavy metals surrounding the MSWI were unacceptable. The soil heavy metals concentrations and health risks in different functional areas were distinct. MSWI was the predominate source of non-carcinogenic risk with the average contribution rate of 36.99% and carcinogenic risk to adult male, adult female and children with 4.23×10 -4 , 4.57×10 -4 , and 1.41×10 -4 respectively, implying that the impact of MSWI on human health was apparent. This study provided a new insight for the source apportionment and health risk assessment of soil heavy metals in the vicinity of MSWI. Copyright © 2018. Published by Elsevier B.V.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anasori, Babak; Shi, Chenyang; Moon, Eun Ju

In this paper, a transition from metallic to semiconducting-like behavior has been demonstrated in two-dimensional (2D) transition metal carbides by replacing titanium with molybdenum in the outer transition metal (M) layers of M 3C 2 and M 4C 3 MXenes. The MXene structure consists of n + 1 layers of near-close packed M layers with C or N occupying the octahedral site between them in an [MX] nM arrangement. Recently, two new families of ordered 2D double transition metal carbides MXenes were discovered, M' 2M"C 2 and M' 2M" 2C 3 – where M' and M" are two different earlymore » transition metals, such as Mo, Cr, Ta, Nb, V, and Ti. The M' atoms only occupy the outer layers and the M" atoms fill the middle layers. In other words, M' atomic layers sandwich the middle M"–C layers. Using X-ray atomic pair distribution function (PDF) analysis on Mo 2TiC 2 and Mo 2Ti 2C 3 MXenes, we present the first quantitative analysis of structures of these novel materials and experimentally confirm that Mo atoms are in the outer layers of the [MC] nM structures. The electronic properties of these Mo-containing MXenes are compared with their Ti 3C 2 counterparts, and are found to be no longer metallic-like conductors; instead the resistance increases mildly with decreasing temperatures. Density functional theory (DFT) calculations suggest that OH terminated Mo–Ti MXenes are semiconductors with narrow band gaps. Measurements of the temperature dependencies of conductivities and magnetoresistances have confirmed that Mo 2TiC 2T x exhibits semiconductor-like transport behavior, while Ti 3C 2T x is a metal. Finally, this finding opens new avenues for the control of the electronic and optical applications of MXenes and for exploring new applications, in which semiconducting properties are required.« less

Peanut-shaped metallicity distributions in bulges of edge-on galaxies: the case of NGC 4710

NASA Astrophysics Data System (ADS)

Gonzalez, Oscar A.; Debattista, Victor P.; Ness, Melissa; Erwin, Peter; Gadotti, Dimitri A.

2017-03-01

Bulges of edge-on galaxies are often boxy/peanut-shaped (B/PS), and unsharp masks reveal the presence of an X shape. Simulations show that these shapes can be produced by dynamical processes driven by a bar which vertically thickens the centre. In the Milky Way, which contains such a B/PS bulge, the X-shaped structure is traced by the metal-rich stars but not by the metal-poor ones. Recently, Debattista et al. interpreted this property as a result of the varying effect of the bar on stellar populations with different starting kinematics. This kinematic fractionation model predicts that cooler populations at the time of bar formation go on to trace the X shape, whereas hotter populations are more uniformly distributed. As this prediction is not specific to the Milky Way, we test it with Multi Unit Spectroscopic Explorer (MUSE) observations of the B/PS bulge in the nearby galaxy NGC 4710. We show that the metallicity map is more peanut-shaped than the density distribution itself, in good agreement with the prediction. This result indicates that the X-shaped structure in B/PS bulges is formed of relatively metal-rich stars that have been vertically redistributed by the bar, whereas the metal-poor stars have a more uniform, box-shaped distribution.

Cosmic stellar relics in the Galactic halo

NASA Astrophysics Data System (ADS)

Salvadori, Stefania; Schneider, Raffaella; Ferrara, Andrea

2007-10-01

We study the stellar population history and chemical evolution of the Milky Way (MW) in a hierarchical Λ cold dark matter model for structure formation. Using a Monte Carlo method based on the semi-analytical extended Press & Schechter formalism, we develop a new code GALAXY MERGER TREE AND EVOLUTION (GAMETE) to reconstruct the merger tree of the Galaxy and follow the evolution of gas and stars along the hierarchical tree. Our approach allows us to compare the observational properties of the MW with model results, exploring different properties of primordial stars, such as their initial mass function and the critical metallicity for low-mass star formation, Zcr. In particular, by matching our predictions to the metallicity distribution function (MDF) of metal-poor stars in the Galactic halo we find that: (i) a strong supernova (SN) feedback is required to reproduce the observed properties of the MW; (ii) stars with [Fe/H] < -2.5 form in haloes accreting Galactic medium (GM) enriched by earlier SN explosions; (iii) the fiducial model (Zcr = 10-4Zsolar, mPopIII = 200 Msolar) provides an overall good fit to the MDF, but cannot account for the two hyper-metal-poor (HMP) stars with [Fe/H] < -5 the latter can be accommodated if Zcr <= 10-6 Zsolar but such model overpopulates the `metallicity desert', that is, the range -5.3 < [Fe/H] < -4 in which no stars have been detected; (iv) the current non-detection of metal-free stars robustly constrains either Zcr > 0 or the masses of the first stars mPopIII > 0.9 Msolar (v) the statistical impact of truly second-generation stars, that is, stars forming out of gas polluted only by metal-free stars, is negligible in current samples; and (vi) independent of Zcr, 60 per cent of metals in the GM are ejected through winds by haloes with masses M < 6 × 109 Msolar, thus showing that low-mass haloes are the dominant population contributing to cosmic metal enrichment. We discuss the limitations of our study and comparison with previous work.

Zinc and Copper Effects on Stability of Tubulin and Actin Networks in Dendrites and Spines of Hippocampal Neurons.

PubMed

Perrin, Laura; Roudeau, Stéphane; Carmona, Asuncion; Domart, Florelle; Petersen, Jennifer D; Bohic, Sylvain; Yang, Yang; Cloetens, Peter; Ortega, Richard

2017-07-19

Zinc and copper ions can modulate the activity of glutamate receptors. However, labile zinc and copper ions likely represent only the tip of the iceberg and other neuronal functions are suspected for these metals in their bound state. We performed synchrotron X-ray fluorescence imaging with 30 nm resolution to image total biometals in dendrites and spines from hippocampal neurons. We found that zinc is distributed all along the dendrites while copper is mainly pinpointed within the spines. In spines, zinc content is higher within the spine head while copper is higher within the spine neck. Such specific distributions suggested metal interactions with cytoskeleton proteins. Zinc supplementation induced the increase of β-tubulin content in dendrites. Copper supplementation impaired the β-tubulin and F-actin networks. Copper chelation resulted in the decrease of F-actin content in dendrites, drastically reducing the number of F-actin protrusions. These results indicate that zinc is involved in microtubule stability whereas copper is essential for actin-dependent stability of dendritic spines, although copper excess can impair the dendritic cytoskeleton.

Multisite adsorption of cadmium on goethite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Venema, P.; Hiemstra, T.; Riemsdijk, W.H. van

1996-11-10

Recently a new general ion adsorption model has been developed for ion binding to mineral surfaces (Hiemstra and van Riemsdijk, 1996). The model uses the Pauling concept of charge distribution (CD) and is an extension of the multi-site complexation (MUSIC) approach. In the CD-MUSIC model the charge of an adsorbing ion that forms an inner sphere complex is distributed over its ligands, which are present in two different electrostatic planes. In this paper the authors have applied the CD-MUSIC model to the adsorption of metal cations, using an extended data set for cadmium adsorbing on goethite. The adsorption of cadmiummore » and the cadmium-proton exchange ratio were measured as function of metal ion concentration, pH, and ionic strength. The data could be described well, taking into account the surface heterogeneity resulting from the presence of two different crystal planes (the dominant 110 face and the minor 021 face). The surface species used in the model are consistent with recent EXAFS data. In accordance with the EXAFS results, high-affinity complexes at the 021 face were used in the model.« less

Ubiquitous Low-Cost Functionalized Multi-Walled Carbon Nanotube Sensors for Distributed Methane Leak Detection

DOE PAGES

Humayun, Md Tanim; Divan, Ralu; Stan, Liliana; ...

2016-06-16

This paper presents a highly sensitive, energy efficient and low-cost distributed methane (CH 4) sensor system (DMSS) for continuous monitoring, detection, and localization of CH 4 leaks in natural gas infrastructure, such as transmission and distribution pipelines, wells, and production pads. The CH 4 sensing element, a key component of the DMSS, consists of a metal oxide nanocrystal (MONC) functionalized multi-walled carbon nanotube (MWCNT) mesh which, in comparison to existing literature, shows stronger relative resistance change while interacting with lower parts per million (ppm) concentration of CH 4. A Gaussian plume triangulation algorithm has been developed for the DMSS. Givenmore » a geometric model of the surrounding environment the algorithm can precisely detect and localize a CH 4 leak as well as estimate its mass emission rate. A UV-based surface recovery technique making the sensor recover 10 times faster than the reported ones is presented for the DMSS. In conclusion, a control algorithm based on the UV-accelerated recovery is developed which facilitates faster leak detection.« less

New spectroscopic binary companions of giant stars and updated metallicity distribution for binary systems

NASA Astrophysics Data System (ADS)

Bluhm, P.; Jones, M. I.; Vanzi, L.; Soto, M. G.; Vos, J.; Wittenmyer, R. A.; Drass, H.; Jenkins, J. S.; Olivares, F.; Mennickent, R. E.; Vučković, M.; Rojo, P.; Melo, C. H. F.

2016-10-01

We report the discovery of 24 spectroscopic binary companions to giant stars. We fully constrain the orbital solution for 6 of these systems. We cannot unambiguously derive the orbital elements for the remaining stars because the phase coverage is incomplete. Of these stars, 6 present radial velocity trends that are compatible with long-period brown dwarf companions. The orbital solutions of the 24 binary systems indicate that these giant binary systems have a wide range in orbital periods, eccentricities, and companion masses. For the binaries with restricted orbital solutions, we find a range of orbital periods of between ~97-1600 days and eccentricities of between ~0.1-0.4. In addition, we studied the metallicity distribution of single and binary giant stars. We computed the metallicity of a total of 395 evolved stars, 59 of wich are in binary systems. We find a flat distribution for these binary stars and therefore conclude that stellar binary systems, and potentially brown dwarfs, have a different formation mechanism than planets. This result is confirmed by recent works showing that extrasolar planets orbiting giants are more frequent around metal-rich stars. Finally, we investigate the eccentricity as a function of the orbital period. We analyzed a total of 130 spectroscopic binaries, including those presented here and systems from the literature. We find that most of the binary stars with periods ≲30 days have circular orbits, while at longer orbital periods we observe a wide spread in their eccentricities. Based on observations collected at La Silla - Paranal Observatory under programs IDs IDs 085.C-0557, 087.C.0476, 089.C-0524, 090.C-0345, 096.A-9020 and through the Chilean Telescope Time under programs IDs CN2012A-73, CN2012B-47, CN2013A-111, CN2013B-51, CN2014A-52 and CN2015A-48.

Effect of thermal annealing on the redistribution of alkali metals in Cu(In,Ga)Se2 solar cells on glass substrate

NASA Astrophysics Data System (ADS)

Kamikawa, Yukiko; Nishinaga, Jiro; Ishizuka, Shogo; Tayagaki, Takeshi; Guthrey, Harvey; Shibata, Hajime; Matsubara, Koji; Niki, Shigeru

2018-03-01

The precise control of alkali-metal concentrations in Cu(In,Ga)Se2 (CIGS) solar cells via post deposition treatment (PDT) has recently attracted attention. When PDT is performed at an elevated temperature, an accompanying annealing effect is expected. Here, we investigate how thermal annealing affects the redistribution of alkali metals in CIGS solar cells on glass substrates and the properties of the solar cells. In addition, we investigate the origin of non-homogeneous alkali-metal depth profiles that are typical of CIGS grown using a three-stage process. In particular, we use secondary-ion mass spectrometry measurements of the ion concentration as a function of distance from the CIGS surface to investigate the impact of thermal annealing on the distribution of alkali metals (Na, Ka, and Rb) and constituent elements (Ga and In) in the CIGS absorbers. We find that the depth profiles of the alkali metals strongly reflect the density of sites that tend to accommodate alkali metals, i.e., vacancies. Annealing at elevated temperature caused a redistribution of the alkali metals. The thermal-diffusion kinetics of alkali metals depends strongly on the species involved. We introduced low flux potassium fluoride (KF) to study a side effect of KF-PDT, i.e., Na removal from CIGS, separately from its predominant effects such as surface modification. When sufficient amounts of Na are supplied from the soda lime glass via annealing at an elevated temperature, the negative effect was not apparent. Conversely, when the Na supply was not sufficient, it caused a deterioration of the photovoltaic properties.

Preferential solvation, ion pairing, and dynamics of concentrated aqueous solutions of divalent metal nitrate salts

NASA Astrophysics Data System (ADS)

Yadav, Sushma; Chandra, Amalendu

2017-12-01

We have investigated the characteristics of preferential solvation of ions, structure of solvation shells, ion pairing, and dynamics of aqueous solutions of divalent alkaline-earth metal nitrate salts at varying concentration by means of molecular dynamics simulations. Hydration shell structures and the extent of preferential solvation of the metal and nitrate ions in the solutions are investigated through calculations of radial distribution functions, tetrahedral ordering, and also spatial distribution functions. The Mg2+ ions are found to form solvent separated ion-pairs while the Ca2+ and Sr2+ ions form contact ion pairs with the nitrate ions. These findings are further corroborated by excess coordination numbers calculated through Kirkwood-Buff G factors for different ion-ion and ion-water pairs. The ion-pairing propensity is found to be in the order of Mg(NO3) 2 < C a (NO3) 2 < S r (NO3) 2, and it follows the trend given by experimental activity coefficients. It is found that proper modeling of these solutions requires the inclusion of electronic polarization of the ions which is achieved in the current study through electronic continuum correction force fields. A detailed analysis of the effects of ion-pairs on the structure and dynamics of water around the hydrated ions is done through classification of water into different subspecies based on their locations around the cations or anions only or bridged between them. We have looked at the diffusion coefficients, relaxation of orientational correlation functions, and also the residence times of different subspecies of water to explore the dynamics of water in different structural environments in the solutions. The current results show that the water molecules are incorporated into fairly well-structured hydration shells of the ions, thus decreasing the single-particle diffusivities and increasing the orientational relaxation times of water with an increase in salt concentration. The different structural motifs also lead to the presence of substantial dynamical heterogeneity in these solutions of strongly interacting ions. The current study helps us to understand the molecular details of hydration structure, ion pairing, and dynamics of water in the solvation shells and also of ion diffusion in aqueous solutions of divalent metal nitrate salts.

Role of different salt marsh plants on metal retention in an urban estuary (Lima estuary, NW Portugal)

NASA Astrophysics Data System (ADS)

Almeida, C. M. R.; Mucha, Ana P.; Teresa Vasconcelos, M.

2011-01-01

The aim of the present work was to understand the role different salt marsh plants on metal distribution and retention in the Lima River estuary (NW Portugal), which to our knowledge have not been ascertained in this area yet. The knowledge of these differences is an important requirement for the development of appropriate management strategies, and is poorly described for Eurosiberian estuaries, like the one selected. In addition it is important to understand the difference among introduced and native salt marsh plants. In this work, metal levels (Cd, Cr, Cu, Fe, Mn, Ni, Pb and Zn) were surveyed (by atomic absorption spectrometry) in sediments from sites vegetated with Juncus maritimus, Spartina patens, Phragmites australis and Triglochin striata (rhizo-sediments), in non-vegetated sediments and in the different tissues of the plants (roots, rhizomes and aerial shoots). In general, rhizo-sediments had higher metal concentrations than non-vegetated sediments, a feature that seems common to sediments colonized by salt marsh plants of different estuarine areas. All plants concentrated metals, at least Cd, Cu and Zn (and Pb for T. striata) in their belowground structures ([ M] belowground tissues/[ M] non-vegetated sediment > 1). However, when considered per unit of salt marsh area, the different selected plants played a different role on sediment metal distribution and retention. Triglochin striata retained a significant metal burden in it belowground structures (root plus rhizomes) acting like a possible phyto-stabilizer, whereas P. australis had an higher metal burden in aboveground tissues acting as a possible phyto-extractor. As for J. maritimus and S. patens, metal burden distribution between above and belowground structures depended on the metal, with J. maritimus retaining, for instance, much more Cd and Cu in the aboveground than in the belowground structures. Therefore, the presence of invasive and exotic plants in some areas of the salt marsh may considerably affect metal distribution and retention in the estuarine region.

ARE WE MONITORING IN THE RIGHT PLACES FOR METALS AND RADIONUCLIDES

EPA Science Inventory

Recent studies of pipe deposits from metal, cement and plastic pipes have found that many regulated drinking water constituents are not conservative in the distribution system. Examples are arsenic, aluminum, radium, lead, tin, radon, copper, and manganese. Distribution system ...

Understanding the Role of Metal Ions in RNA Folding and Function: Lessons from RNase P, a Ribonucleoprotein Enzyme

NASA Astrophysics Data System (ADS)

Harris, Michael E.; Christian, Eric L.

There is a large and rapidly growing literature relating RNA function to metal ion identity and concentration; however, due to the complexity and large number of interactions it remains a significant experimental challenge to tie the interactions of individual ions to specific aspects of RNA function. Investigation of the ribonculeopro-tein enzyme RNase P function has assisted in defining characteristics of RNA—metal ion interactions and provided a useful model system for understanding RNA catalysis and ribonucleoprotein assembly. The goal of this chapter is to review progress in understanding the physical basis of functional metal ion interactions with P RNA and relate this progress to the development of our understanding of RNA metal ion interactions in general. The research results reviewed here encompass: (1) Determination of the contribution of divalent metal ion binding to specific aspects of enzyme function, (2) Identification of individual metal ion binding sites in P RNA and their contribution to function, and (3) The effect of protein binding on RNA—metal ion affinity.

Time-dependent calculations of molten pool formation and thermal plasma with metal vapour in gas tungsten arc welding

NASA Astrophysics Data System (ADS)

Tanaka, M.; Yamamoto, K.; Tashiro, S.; Nakata, K.; Yamamoto, E.; Yamazaki, K.; Suzuki, K.; Murphy, A. B.; Lowke, J. J.

2010-11-01

A gas tungsten arc (GTA) was modelled taking into account the contamination of the plasma by metal vapour from the molten anode. The whole region of GTA atmosphere including the tungsten cathode, the arc plasma and the anode was treated using a unified numerical model. A viscosity approximation was used to express the diffusion coefficient in terms of viscosity of the shielding gas and metal vapour. The transient two-dimensional distributions of temperature, velocity of plasma flow and iron vapour concentration were predicted, together with the molten pool as a function of time for a 150 A arc current at atmospheric pressure, both for helium and argon gases. It was shown that the thermal plasma in the GTA was influenced by iron vapour from the molten pool surface and that the concentration of iron vapour in the plasma was dependent on the temperature of the molten pool. GTA on high sulfur stainless steel was calculated to discuss the differences between a low sulfur and a high sulfur stainless steel anode. Helium was selected as the shielding gas because a helium GTA produces more metal vapour than an argon GTA. In the GTA on a high sulfur stainless steel anode, iron vapour and current path were constricted. Radiative emission density in the GTA on high sulfur stainless steel was also concentrated in the centre area of the arc plasma together with the iron vapour although the temperature distributions were almost the same as that in the case of a low sulfur stainless steel anode.

Biomimetic-inspired joining of composite with metal structures: A survey of natural joints and application to single lap joints

NASA Astrophysics Data System (ADS)

Avgoulas, Evangelos Ioannis; Sutcliffe, Michael P. F.

2014-03-01

Joining composites with metal parts leads, inevitably, to high stress concentrations because of the material property mismatch. Since joining composite to metal is required in many high performance structures, there is a need to develop a new multifunctional approach to meet this challenge. This paper uses the biomimetics approach to help develop solutions to this problem. Nature has found many ingenious ways of joining dissimilar materials and making robust attachments, alleviating potential stress concentrations. A literature survey of natural joint systems has been carried out, identifying and analysing different natural joint methods from a mechanical perspective. A taxonomy table was developed based on the different methods/functions that nature successfully uses to attach dissimilar tissues (materials). This table is used to understand common themes or approaches used in nature for different joint configurations and functionalities. One of the key characteristics that nature uses to joint dissimilar materials is a transitional zone of stiffness in the insertion site. Several biomimetic-inspired metal-to-composite (steel-to-CFRP), adhesively bonded, Single Lap Joints (SLJs) were numerically investigated using a finite element analysis. The proposed solutions offer a transitional zone of stiffness of one joint part to reduce the material stiffness mismatch at the joint. An optimisation procedure was used to identify the variation in material stiffness which minimises potential failure of the joint. It was found that the proposed biomimetic SLJs reduce the asymmetry of the stress distribution along the adhesive area.

THE DUAL ORIGIN OF STELLAR HALOS. II. CHEMICAL ABUNDANCES AS TRACERS OF FORMATION HISTORY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zolotov, Adi; Hogg, David W.; Willman, Beth

2010-09-20

Fully cosmological, high-resolution N-body+smooth particle hydrodynamic simulations are used to investigate the chemical abundance trends of stars in simulated stellar halos as a function of their origin. These simulations employ a physically motivated supernova feedback recipe, as well as metal enrichment, metal cooling, and metal diffusion. As presented in an earlier paper, the simulated galaxies in this study are surrounded by stellar halos whose inner regions contain both stars accreted from satellite galaxies and stars formed in situ in the central regions of the main galaxies and later displaced by mergers into their inner halos. The abundance patterns ([Fe/H] andmore » [O/Fe]) of halo stars located within 10 kpc of a solar-like observer are analyzed. We find that for galaxies which have not experienced a recent major merger, in situ stars at the high [Fe/H] end of the metallicity distribution function are more [{alpha}/Fe]-rich than accreted stars at similar [Fe/H]. This dichotomy in the [O/Fe] of halo stars at a given [Fe/H] results from the different potential wells within which in situ and accreted halo stars form. These results qualitatively match recent observations of local Milky Way halo stars. It may thus be possible for observers to uncover the relative contribution of different physical processes to the formation of stellar halos by observing such trends in the halo populations of the Milky Way and other local L{sup *} galaxies.« less

Pollution Characteristics and Health Risk Assessment of Airborne Heavy Metals Collected from Beijing Bus Stations

PubMed Central

Zheng, Xiaoxia; Zhao, Wenji; Yan, Xing; Shu, Tongtong; Xiong, Qiulin; Chen, Fantao

2015-01-01

Airborne dust, which contains high levels of toxic metals, is recognized as one of the most harmful environment component. The purpose of this study was to evaluate heavy metals pollution in dustfall from bus stations in Beijing, and to perform a risk assessment analysis for adult passengers. The concentrations of Cd, Co, Cr, Cu, Mo, Ni, Pb, V and Zn were determined by inductively coupled plasma mass spectroscopy (ICP-MS). The spatial distribution, pollution level and potential health risk of heavy metals were analyzed by Geographic Information System (GIS) mapping technology, geo-accumulation index and health risk assessment model, respectively. The results indicate that dust samples have elevated metal concentrations, especially for Cd, Cu, Pb and Zn. The nine metals can be divided into two categories in terms of spatial distribution and pollution level. Cd, Cr, Cu, Mo, Pb and Zn reach contaminated level and have similar spatial patterns with hotspots distributed within the Fifth Ring Road. While the hot spot areas of Co and V are always out of the Fifth Ring Road. Health risk assessment shows that both carcinogenic and non-carcinogenic risks of selected metals were within the safe range. PMID:26287229

Distribution and partitioning of trace metals in sediments of the lower reaches of the New Calabar River, Port Harcourt, Nigeria.

PubMed

Horsfall, M; Spiff, A I

2002-09-01

The distribution of trace metals in sediments of the lower reaches of the New Calabar River, Nigeria was evaluated together with the partitioning of their chemical species between five geochemical phases. Samplings were made in five zones at the lower reaches of the New Calaber River. All the trace metals were determined by AAS after selective chemical extractions and concentrations given in microg gm(-1) (dry weight basis). The average total concentrations found for trace metals in the sediment were ( mean +/- rsd.) Pb: 41.6 +/- 0.29, Zn: 31.60 +/- 0.42, Cd: 12.80 +/- 0.92, Co: 92 +/- 0.25, Cu: 25.5 +/- 0.65 and Ni: 3.2 +/- 0.25. Maxima and minima concentrations are inconsistent with previous studies in other rivers of this region. Spatial distribution revealed that the sources of trace metals into the river appeared to be of non-point. Five contamination indices were applied in studying the partitioning of the trace metals in the sediment. These indices provided bases for ascertaining the potential environmental risk of trace metals in the river system. The results denote high partition levels in the more mobile and more dangerous phases.

Pollution Characteristics and Health Risk Assessment of Airborne Heavy Metals Collected from Beijing Bus Stations.

PubMed

Zheng, Xiaoxia; Zhao, Wenji; Yan, Xing; Shu, Tongtong; Xiong, Qiulin; Chen, Fantao

2015-08-17

Airborne dust, which contains high levels of toxic metals, is recognized as one of the most harmful environment component. The purpose of this study was to evaluate heavy metals pollution in dustfall from bus stations in Beijing, and to perform a risk assessment analysis for adult passengers. The concentrations of Cd, Co, Cr, Cu, Mo, Ni, Pb, V and Zn were determined by inductively coupled plasma mass spectroscopy (ICP-MS). The spatial distribution, pollution level and potential health risk of heavy metals were analyzed by Geographic Information System (GIS) mapping technology, geo-accumulation index and health risk assessment model, respectively. The results indicate that dust samples have elevated metal concentrations, especially for Cd, Cu, Pb and Zn. The nine metals can be divided into two categories in terms of spatial distribution and pollution level. Cd, Cr, Cu, Mo, Pb and Zn reach contaminated level and have similar spatial patterns with hotspots distributed within the Fifth Ring Road. While the hot spot areas of Co and V are always out of the Fifth Ring Road. Health risk assessment shows that both carcinogenic and non-carcinogenic risks of selected metals were within the safe range.

Fate and Distribution of Heavy Metals in Wastewater Irrigated Calcareous Soils

PubMed Central

Stietiya, Mohammed Hashem; Duqqah, Mohammad; Udeigwe, Theophilus; Zubi, Ruba; Ammari, Tarek

2014-01-01

Accumulation of heavy metals in Jordanian soils irrigated with treated wastewater threatens agricultural sustainability. This study was carried out to investigate the environmental fate of Zn, Ni, and Cd in calcareous soils irrigated with treated wastewater and to elucidate the impact of hydrous ferric oxide (HFO) amendment on metal redistribution among soil fractions. Results showed that sorption capacity for Zarqa River (ZR1) soil was higher than Wadi Dhuleil (WD1) soil for all metals. The order of sorption affinity for WD1 was in the decreasing order of Ni > Zn > Cd, consistent with electrostatic attraction and indication of weak association with soil constituents. Following metal addition, Zn and Ni were distributed among the carbonate and Fe/Mn oxide fractions, while Cd was distributed among the exchangeable and carbonate fractions in both soils. Amending soils with 3% HFO did not increase the concentration of metals associated with the Fe/Mn oxide fraction or impact metal redistribution. The study suggests that carbonates control the mobility and bioavailability of Zn, Ni, and Cd in these calcareous soils, even in presence of a strong adsorbent such as HFO. Thus, it can be inferred that in situ heavy metal remediation of these highly calcareous soils using iron oxide compounds could be ineffective. PMID:24723833

Effect of site on sedimentological characteristics and metal pollution in two semi-enclosed embayments of great freshwater reservoir: Lake Nasser, Egypt

NASA Astrophysics Data System (ADS)

Farhat, Hassan I.; Aly, Walid

2018-05-01

This study was carried out to assess the effect of site on the spatial variations of sedimentological characteristics and heavy metal pollution of two semi-enclosed embayments of Lake Nasser. Grain Size, texture and mode of transportation as well as some heavy metals and organic matter were assessed in sediment samples from those embayments. The results indicated that the grain size of the lake sediments was affected by site variation. Moreover, heavy metal distribution in the sediments was mainly directed by grain size distribution and organic matter, though, the organic matter was more critical than grain size in controlling heavy metals distribution in each embayment. The main source of heavy metals in studied embayments was concluded to be the metals brought with flood waters rather than being of anthropogenic origin. The results also indicated the association of studied metals with Fe and Mn oxides of suspended matters and dissolved solids which come with flood water and trapped and settled to the bottom sediment in the stagnation period. Measured indices indicated that southern embayment is more polluted than northern one, which could be explained on the basis that the southern embayment reserves larger amounts of suspended matter coming with the flood than northern embayment.

Poster — Thur Eve — 11: Validation of the orthopedic metallic artifact reduction tool for CT simulations at the Ottawa Hospital Cancer Centre

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sutherland, J; Foottit, C

Metallic implants in patients can produce image artifacts in kilovoltage CT simulation images which can introduce noise and inaccuracies in CT number, affecting anatomical segmentation and dose distributions. The commercial orthopedic metal artifact reduction algorithm (O-MAR) (Philips Healthcare System) was recently made available on CT simulation scanners at our institution. This study validated the clinical use of O-MAR by investigating its effects on CT number and dose distributions. O-MAR corrected and uncorrected images were acquired with a Philips Brilliance Big Bore CT simulator of a cylindrical solid water phantom that contained various plugs (including metal) of known density. CT numbermore » accuracy was investigated by determining the mean and standard deviation in regions of interest (ROI) within each plug for uncorrected and O-MAR corrected images and comparing with no-metal image values. Dose distributions were calculated using the Monaco treatment planning system. Seven open fields were equally spaced about the phantom around a ROI near the center of the phantom. These were compared to a “correct” dose distribution calculated by overriding electron densities a no-metal phantom image to produce an image containing metal but no artifacts. An overall improvement in CT number and dose distribution accuracy was achieved by applying the O-MAR correction. Mean CT numbers and standard deviations were found to be generally improved. Exceptions included lung equivalent media, which is consistent with vendor specified contraindications. Dose profiles were found to vary by ±4% between uncorrected or O-MAR corrected images with O-MAR producing doses closer to ground truth.« less

Graphene-Templated Synthesis of Magnetic Metal Organic Framework Nanocomposites for Selective Enrichment of Biomolecules.

PubMed

Cheng, Gong; Wang, Zhi-Gang; Denagamage, Sachira; Zheng, Si-Yang

2016-04-27

Successful control of homogeneous and complete coating of graphene or graphene-based composites with well-defined metal organic framework (MOF) layers is a great challenge. Herein, novel magnetic graphene MOF composites were constructed via a simple strategy for self-assembly of well-distributed, dense, and highly porous MOFs on both sides of graphene nanosheets. Graphene functionalized with magnetic nanoparticles and carboxylic groups on both sides was explored as the backbone and template to direct the controllable self-assembly of MOFs. The prepared composite materials have a relatively high specific surface area (345.4 m(2) g(-1)), and their average pore size is measured to be 3.2 nm. Their relatively high saturation magnetization (23.8 emu g(-1)) indicates their strong magnetism at room temperature. Moreover, the multifunctional composite was demonstrated to be a highly effective affinity material in selective extraction and separation of low-concentration biomolecules from biological samples, in virtue of the size-selection property of the unique porous structure and the excellent affinity of the composite materials. Besides providing a solution for the construction of well-defined functional graphene-based MOFs, this work could also contribute to selective extraction of biomolecules, in virtue of the universal affinity between immobilized metal ions and biomolecules.

Installing heterobimetallic cobalt–aluminum single sites on a metal organic framework support

DOE PAGES

Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; ...

2016-08-22

Here, a heterobimetallic cobalt-aluminum complex was immobilized onto the metal organic framework NU-1000 using a simple solution-based deposition procedure. Characterization data are consistent with a maximum loading of a single Co-Al complex per Zr 6 node of NU-1000. Furthermore, the data support that the Co-Al bimetallic complex is evenly distributed throughout the NU-1000 particle, binds covalently to the Zr6 nodes, and occupies the NU-1000 apertures with the shortest internode distances (~8.5 Å). Heating the anchored Co-Al complex on NU-1000 at 300 °C for 1 h in air completely removes the organic ligand of the complex without affecting the structural integritymore » of the MOF support. We propose that a Co-Al oxide cluster is formed in place of the anchored complex in NU-1000 during heating. Collectively, the results suggest that well-defined heterobimetallic complexes can be effective precursors for installing two different metals simultaneously onto a MOF support. The CoAl-functionalized NU-1000 samples catalyze the oxidation of benzyl alcohol to benzaldehyde with tert-butyl hydroperoxide as a stoichiometric oxidant. Density functional theory calculations were performed to elucidate the detailed structures of the Co-Al active sites on the Zr 6-nodes, and a Co-mediated catalytic mechanism is proposed.« less

Examining the specific contributions of individual Arabidopsis metallothioneins to copper distribution and metal tolerance.

PubMed

Guo, Woei-Jiun; Meetam, Metha; Goldsbrough, Peter B

2008-04-01

Metallothioneins (MTs) are small cysteine-rich proteins found in various eukaryotes. Plant MTs are classified into four types based on the arrangement of cysteine residues. To determine whether all four types of plant MTs function as metal chelators, six Arabidopsis (Arabidopsis thaliana) MTs (MT1a, MT2a, MT2b, MT3, MT4a, and MT4b) were expressed in the copper (Cu)- and zinc (Zn)-sensitive yeast mutants, Deltacup1 and Deltazrc1 Deltacot1, respectively. All four types of Arabidopsis MTs provided similar levels of Cu tolerance and accumulation to the Deltacup1 mutant. The type-4 MTs (MT4a and MT4b) conferred greater Zn tolerance and higher accumulation of Zn than other MTs to the Deltazrc1 Deltacot1 mutant. To examine the functions of MTs in plants, we studied Arabidopsis plants that lack MT1a and MT2b, two MTs that are expressed in phloem. The lack of MT1a, but not MT2b, led to a 30% decrease in Cu accumulation in roots of plants exposed to 30 mum CuSO(4). Ectopic expression of MT1a RNA in the mt1a-2 mt2b-1 mutant restored Cu accumulation in roots. The mt1a-2 mt2b-1 mutant had normal metal tolerance. However, when MT deficiency was combined with phytochelatin deficiency, growth of the mt1a-2 mt2b-1 cad1-3 triple mutant was more sensitive to Cu and cadmium compared to the cad1-3 mutant. Together these results provide direct evidence for functional contributions of MTs to plant metal homeostasis. MT1a, in particular, plays a role in Cu homeostasis in the roots under elevated Cu. Moreover, MTs and phytochelatins function cooperatively to protect plants from Cu and cadmium toxicity.

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

PubMed

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

2013-11-25

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

Study on the Effects of Irrigation with Reclaimed Water on the Content and Distribution of Heavy Metals in Soil

PubMed Central

Lu, Shibao; Wang, Jianhua; Pei, Liang

2016-01-01

Reclaimed water is an important resource for irrigation, and exploration in making full use of it is an important way to alleviate water shortage. This paper analyzes the effects of irrigation with reclaimed water through field trials on the content and distribution of heavy metals in both tomatoes and the soil. By exploring the effects of reclaimed water after secondary treatment on the content and distribution characteristics of heavy metals in tomatoes and the heavy metal balance in the soil-crop system under different conditions, the study shows that there are no significant differences in the heavy metal content when the quantity of reclaimed water for irrigation varies. Reclaimed water for short-term irrigation does not cause pollution to either the soil environment or the crops. Nor will it cause the accumulation of heavy metals, and the index for the heavy metal content is far below the critical value of the national standard, which indicates that the vegetables irrigated with reclaimed water during their growth turn out to be free of pollutants. The heavy metals brought into the soil by reclaimed water are less than that taken away by the crops. The input and output quantities have only small effects on the heavy metal balance in the soil. This paper provides a reference for the evaluation and safety control of irrigation with reclaimed water. PMID:27005639

Study on the Effects of Irrigation with Reclaimed Water on the Content and Distribution of Heavy Metals in Soil.

PubMed

Lu, Shibao; Wang, Jianhua; Pei, Liang

2016-03-08

Reclaimed water is an important resource for irrigation, and exploration in making full use of it is an important way to alleviate water shortage. This paper analyzes the effects of irrigation with reclaimed water through field trials on the content and distribution of heavy metals in both tomatoes and the soil. By exploring the effects of reclaimed water after secondary treatment on the content and distribution characteristics of heavy metals in tomatoes and the heavy metal balance in the soil-crop system under different conditions, the study shows that there are no significant differences in the heavy metal content when the quantity of reclaimed water for irrigation varies. Reclaimed water for short-term irrigation does not cause pollution to either the soil environment or the crops. Nor will it cause the accumulation of heavy metals, and the index for the heavy metal content is far below the critical value of the national standard, which indicates that the vegetables irrigated with reclaimed water during their growth turn out to be free of pollutants. The heavy metals brought into the soil by reclaimed water are less than that taken away by the crops. The input and output quantities have only small effects on the heavy metal balance in the soil. This paper provides a reference for the evaluation and safety control of irrigation with reclaimed water.

PM2.5-bound metal metabolic distribution and coupled lipid abnormality at different developmental windows.

PubMed

Ku, Tingting; Zhang, Yingying; Ji, Xiaotong; Li, Guangke; Sang, Nan

2017-09-01

Atmospheric fine particulate matter (PM 2.5 ) is a serious threat to human health. As a toxicant constituent, metal leads to significant health risks in a population, but exposure to PM 2.5 -bound metals and their biological impacts are not fully understood. In this study, we determined the metal contents of PM 2.5 samples collected from a typical coal-burning city and then investigated the metabolic distributions of six metals (Zn, Pb, Mn, As, Cu, and Cd) following PM 2.5 inhalation in mice in different developmental windows. The results indicate that fine particles were mainly deposited in the lung, but PM 2.5 -bound metals could reach and gather in secondary off-target tissues (the lung, liver, heart and brain) with a developmental window-dependent property. Furthermore, elevations in triglycerides and cholesterol levels in sensitive developmental windows (the young and elderly stages) occurred, and significant associations between metals (Pb, Mn, As and Cd) and cholesterol in the heart, brain, liver and lung were observed. These findings suggest that PM 2.5 inhalation caused selective metal metabolic distribution in tissues with a developmental window-dependent property and that the effects were associated with lipid alterations. This provides a foundation for the underlying systemic toxicity following PM 2.5 exposure based on metal components. Copyright © 2017 Elsevier Ltd. All rights reserved.

Metal-metal interactions in linear tri-, penta-, hepta-, and nona-nuclear ruthenium string complexes.

PubMed

Niskanen, Mika; Hirva, Pipsa; Haukka, Matti

2012-05-01

Density functional theory (DFT) methodology was used to examine the structural properties of linear metal string complexes: [Ru(3)(dpa)(4)X(2)] (X = Cl(-), CN(-), NCS(-), dpa = dipyridylamine(-)), [Ru(5)(tpda)(4)Cl(2)], and hypothetical, not yet synthesized complexes [Ru(7)(tpta)(4)Cl(2)] and [Ru(9)(ppta)(4)Cl(2)] (tpda = tri-α-pyridyldiamine(2-), tpta = tetra-α-pyridyltriamine(3-), ppta = penta-α-pyridyltetraamine(4-)). Our specific focus was on the two longest structures and on comparison of the string complexes and unsupported ruthenium backboned chain complexes, which have weaker ruthenium-ruthenium interactions. The electronic structures were studied with the aid of visualized frontier molecular orbitals, and Bader's quantum theory of atoms in molecules (QTAIM) was used to study the interactions between ruthenium atoms. The electron density was found to be highest and distributed most evenly between the ruthenium atoms in the hypothetical [Ru(7)(tpta)(4)Cl(2)] and [Ru(9)(ppta)(4)Cl(2)] string complexes.

Towards the Better: Intrinsic Property Amelioration in Bulk Metallic Glasses

NASA Astrophysics Data System (ADS)

Sarac, Baran; Zhang, Long; Kosiba, Konrad; Pauly, Simon; Stoica, Mihai; Eckert, Jürgen

2016-06-01

Tailoring the intrinsic length-scale effects in bulk metallic glasses (BMGs) via post-heat treatment necessitates a systematic analyzing strategy. Although various achievements were made in the past years to structurally enhance the properties of different BMG alloys, the influence of short-term sub-glass transition annealing on the relaxation kinetics is still not fully covered. Here, we aim for unraveling the connection between the physical, (thermo)mechanical and structural changes as a function of selected pre-annealing temperatures and time scales with an in-house developed Cu46Zr44Al8Hf2 based BMG alloy. The controlled formation of nanocrystals below 50 nm with homogenous distribution inside the matrix phase via thermal treatment increase the material’s resistance to strain softening by almost an order of magnitude. The present work determines the design aspects of metallic glasses with enhanced mechanical properties via nanostructural modifications, while postulating a counter-argument to the intrinsic property degradation accounted for long-term annealing.

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

PubMed

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.

Influence of cadmium on physiological parameters and efficiency of chickens-broilers

NASA Astrophysics Data System (ADS)

Lisunova, L. I.; Tokarev, V. S.; Lisunova, A. V.

2003-05-01

In modern conditions a basis of activity of the person becomes the principle of ecological rationality including development and practical use of systems, technologies and the ways providing reception of ecologically safe production of animal industries. Heavy metals concern to number of the most dangerous objects of an environment The sizes of their distribution and intensity of migration in an environment have got dangerous character for normal functioning and health of people. In this connection there is a real necessity of development of strategy of regulation of a level of heavy metals for system about “ground - an atmosphere - water - a plant - an animal - the person”, basing on the interconnected and mutually conditioned processes of their circulation. Cadmium concerns to group of heavy metals. Its increased contents in an organism of the person reduces ability to resist to illnesses. It has mutagen and cancerogenic properties, negatively influences on a heredity. It also promotes development of diseases of kidneys, and also a gastritis and an anemia.

On the valence fluctuation in the early actinide metals

DOE PAGES

Soderlind, P.; Landa, A.; Tobin, J. G.; ...

2015-12-15

In this study, recent X-ray measurements suggest a degree of valence fluctuation in plutonium and uranium intermetallics. We are applying a novel scheme, in conjunction with density functional theory, to predict 5f configuration fractions of states with valence fluctuations for the early actinide metals. For this purpose we perform constrained integer f-occupation calculations for the α phases of uranium, neptunium, and plutonium metals. For plutonium we also investigate the δ phase. The model predicts uranium and neptunium to be dominated by the f 3 and f 4 configurations, respectively, with only minor contributions from other configurations. For plutonium (both αmore » and δ phase) the scenario is dramatically different. Here, the calculations predict a relatively even distribution between three valence configurations. The δ phase has a greater configuration fraction of f 6 compared to that of the α phase. The theory is consistent with the interpretations of modern X-ray experiments and we present resonant X-ray emission spectroscopy results for α-uranium.« less

Impacts of urbanization on the distribution of heavy metals in soils along the Huangpu River, the drinking water source for Shanghai.

PubMed

Bai, Yang; Wang, Min; Peng, Chi; Alatalo, Juha M

2016-03-01

We investigated the horizontal and vertical distribution of heavy metals (Hg, Pb, Zn, Cu, Cd, As, Ni, and Cr) in soils in the water source protection zone for Shanghai to study the origins of these metals, their connections with urbanization, and their potential risk posed on the ecosystem. Determination of metal concentrations in 50 topsoil samples and nine soil profiles indicated that Hg, Pb, Zn, and Cu were present in significantly higher concentrations in topsoil than in deep soil layers. The spatial distributions of Hg, Pb, Zn, and Cu and contamination hotspots for these metals in the study area were similar to those near heavy industries and urban built-up areas. Emissions from automobiles resulted in increased soil concentrations of Cu, Pb, and Zn along roadsides, while high concentrations of Hg in the soil resulted from recent atmospheric deposition. Calculation of the potential ecological risk indicated that the integrative risk of these heavy metals in most areas was low, but a few sites surrounding high density of factories showed moderate risks.

Method for uniformly distributing carbon flakes in a positive electrode, the electrode made thereby and compositions. [Patent application

DOEpatents

Mrazek, F.C.; Smaga, J.A.; Battles, J.E.

1981-01-19

A positive electrode for a secondary electrochemical cell is described wherein an electrically conductive current collector is in electrical contact with a particulate mixture of gray cast iron and an alkali metal sulfide and an electrolyte including alkali metal halides or alkaline earth metal halides. Also present may be a transition metal sulfide and graphite flakes from the conversion of gray cast iron to iron sulfide. Also disclosed is a method of distributing carbon flakes in a cell wherein there is formed an electrochemical cell of a positive electrode structure of the type described and a suitable electrolyte and a second electrode containing a material capable of alloying with alkali metal ions. The cell is connected to a source of electrical potential to electrochemically convert gray cast iron to an iron sulfide and uniformly to distribute carbon flakes formerly in the gray cast iron throughout the positive electrode while forming an alkali metal alloy in the negative electrode. Also disclosed are compositions useful in preparing positive electrodes.

Statistical evaluation of biogeochemical variables affecting spatiotemporal distributions of multiple free metal ion concentrationsin an urban estuary

EPA Science Inventory

Free metal ion concentrations have been recognized as a better indicator of metal bioavailability in aquatic environments than total dissolved metal concentrations. However, our understanding of the determinants of free ion concentrations, especially in a metal mixture, is limite...

sp-d Exchange Interactions in Wave Function Engineered Colloidal CdSe/Mn:CdS Hetero-Nanoplatelets.

PubMed

Muckel, Franziska; Delikanli, Savas; Hernández-Martínez, Pedro Ludwig; Priesner, Tamara; Lorenz, Severin; Ackermann, Julia; Sharma, Manoj; Demir, Hilmi Volkan; Bacher, Gerd

2018-03-14

In two-dimensional (2D) colloidal semiconductor nanoplatelets, which are atomically flat nanocrystals, the precise control of thickness and composition on the atomic scale allows for the synthesis of heterostructures with well-defined electron and hole wave function distributions. Introducing transition metal dopants with a monolayer precision enables tailored magnetic exchange interactions between dopants and band states. Here, we use the absorption based technique of magnetic circular dichroism (MCD) to directly prove the exchange coupling of magnetic dopants with the band charge carriers in hetero-nanoplatelets with CdSe core and manganese-doped CdS shell (CdSe/Mn:CdS). We show that the strength of both the electron as well as the hole exchange interactions with the dopants can be tuned by varying the nanoplatelets architecture with monolayer accuracy. As MCD is highly sensitive for excitonic resonances, excited level spectroscopy allows us to resolve and identify, in combination with wave function calculations, several excited state transitions including spin-orbit split-off excitonic contributions. Thus, our study not only demonstrates the possibility to expand the extraordinary physical properties of colloidal nanoplatelets toward magneto-optical functionality by transition metal doping but also provides an insight into the excited state electronic structure in this novel two-dimensional material.

Comparison Study on the Estimation of the Spatial Distribution of Regional Soil Metal(loid)s Pollution Based on Kriging Interpolation and BP Neural Network.

PubMed

Jia, Zhenyi; Zhou, Shenglu; Su, Quanlong; Yi, Haomin; Wang, Junxiao

2017-12-26

Soil pollution by metal(loid)s resulting from rapid economic development is a major concern. Accurately estimating the spatial distribution of soil metal(loid) pollution has great significance in preventing and controlling soil pollution. In this study, 126 topsoil samples were collected in Kunshan City and the geo-accumulation index was selected as a pollution index. We used Kriging interpolation and BP neural network methods to estimate the spatial distribution of arsenic (As) and cadmium (Cd) pollution in the study area. Additionally, we introduced a cross-validation method to measure the errors of the estimation results by the two interpolation methods and discussed the accuracy of the information contained in the estimation results. The conclusions are as follows: data distribution characteristics, spatial variability, and mean square errors (MSE) of the different methods showed large differences. Estimation results from BP neural network models have a higher accuracy, the MSE of As and Cd are 0.0661 and 0.1743, respectively. However, the interpolation results show significant skewed distribution, and spatial autocorrelation is strong. Using Kriging interpolation, the MSE of As and Cd are 0.0804 and 0.2983, respectively. The estimation results have poorer accuracy. Combining the two methods can improve the accuracy of the Kriging interpolation and more comprehensively represent the spatial distribution characteristics of metal(loid)s in regional soil. The study may provide a scientific basis and technical support for the regulation of soil metal(loid) pollution.

Identification and distribution of inclusions in derby and ingot uranium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwartz, C.M.; Vaughan, D.A.

1953-08-31

Inclusions in derby and ingot uranium have been identified by X-ray diffraction methods. Metallographic and microradiographic examinations have shown that inclusions of MgF2, UO2, UN, and UO are concentrated at the top of derby and ingot metal by gravity separation. UC inclusions are distributed throughout the ingot metal. The amount of the carbide phase in the ingot varies with the temperature maintained during remelt of derby metal.

Discontinuous model with semi analytical sheath interface for radio frequency plasma

NASA Astrophysics Data System (ADS)

Miyashita, Masaru

2016-09-01

Sumitomo Heavy Industries, Ltd. provide many products utilizing plasma. In this study, we focus on the Radio Frequency (RF) plasma source by interior antenna. The plasma source is expected to be high density and low metal contamination. However, the sputtering the antenna cover by high energy ion from sheath voltage still have been problematic. We have developed the new model which can calculate sheath voltage wave form in the RF plasma source for realistic calculation time. This model is discontinuous that electronic fluid equation in plasma connect to usual passion equation in antenna cover and chamber with semi analytical sheath interface. We estimate the sputtering distribution based on calculated sheath voltage waveform by this model, sputtering yield and ion energy distribution function (IEDF) model. The estimated sputtering distribution reproduce the tendency of experimental results.

Efficient fabrication of high-capacity immobilized metal ion affinity chromatographic media: The role of the dextran-grafting process and its manipulation.

PubMed

Zhao, Lan; Zhang, Jingfei; Huang, Yongdong; Li, Qiang; Zhang, Rongyue; Zhu, Kai; Suo, Jia; Su, Zhiguo; Zhang, Zhigang; Ma, Guanghui

2016-03-01

Novel high-capacity Ni(2+) immobilized metal ion affinity chromatographic media were prepared through the dextran-grafting process. Dextran was grafted to an allyl-activated agarose-based matrix followed by functionalization for the immobilized metal ion affinity chromatographic media. With elaborate regulation of the allylation degree, dextran was completely or partly grafted to agarose microspheres, namely, completely dextran-grafted agarose microspheres and partly dextran-grafted ones, respectively. Confocal laser scanning microscope results demonstrated that a good adjustment of dextran-grafting degree was achieved, and dextran was distributed uniformly in whole completely dextran-grafted microspheres, while just distributed around the outside of the partly dextran-grafted ones. Flow hydrodynamic properties were improved greatly after the dextran-grafting process, and the flow velocity increased by about 30% compared with that of a commercial chromatographic medium (Ni Sepharose FF). A significant improvement of protein binding performance was also achieved by the dextran-grafting process, and partly dextran-grafted Ni(2+) chelating medium had a maximum binding capacity for His-tagged lactate dehydrogenase about 2.5 times higher than that of Ni Sepharose FF. The results indicated that this novel chromatographic medium is promising for applications in high-efficiency and large-scale protein purification. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

30 CFR 57.12006 - Distribution boxes.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Distribution boxes. 57.12006 Section 57.12006 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR METAL AND NONMETAL MINE SAFETY AND HEALTH SAFETY AND HEALTH STANDARDS-UNDERGROUND METAL AND NONMETAL MINES Electricity Surface...

Heavy metal distribution in sediments from Calabar River, southeastern Nigeria

NASA Astrophysics Data System (ADS)

Ntekim, E. E. U.; Ekwere, S. J.; Ukpong, E. E.

1993-08-01

The concentration and areal distribution of selected metals (Pb, Zn, Cu, Cd, Ni, Fe, and Cr) in the sediments of the Calabar River were studied to determine the extent of anthropogenic input and to estimate the effects of dumping industrial waste materials into the river. The concentrations of Pb, Zn, and Cu indicate relatively moderate pollution mainly on the left-hand side of the river while Ni, Cr, Co, Cd, and Fe levels are below values found to have adverse effects on the lives of marine biota. High metal contents are found close to industrial establishments and so enhanced metal concentrations are related to industrial sewage and metal leaching from garbage and solid waste dumps.

Asymmetric Distribution of Metals in the Xenopus Laevis Oocyte: a Synchrotron X-Ray Fluorescence Microprobe Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Popescu, B.F.Gh.; Belak, Z.R.; Ignatyev, K.

2009-06-04

The asymmetric distribution of many components of the Xenopus oocyte, including RNA, proteins, and pigment, provides a framework for cellular specialization during development. During maturation, Xenopus oocytes also acquire metals needed for development, but apart from zinc, little is known about their distribution. Synchrotron X-ray fluorescence microprobe was used to map iron, copper, and zinc and the metalloid selenium in a whole oocyte. Iron, zinc, and copper were asymmetrically distributed in the cytoplasm, while selenium and copper were more abundant in the nucleus. A zone of high copper and zinc was seen in the animal pole cytoplasm. Iron was alsomore » concentrated in the animal pole but did not colocalize with zinc, copper, or pigment accumulations. This asymmetry of metal deposition may be important for normal development. Synchrotron X-ray fluorescence microprobe will be a useful tool to examine how metals accumulate and redistribute during fertilization and embryonic development.« less

Asymmetri Distribution of Metals in the Xenopus Laevis Oocyte: a Synchrotron X-Ray Fluorescence Microprobe Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Popescu, B.F.G.; Belak, Z.R.; Ignatyev, K.

2009-04-29

The asymmetric distribution of many components of the Xenopus oocyte, including RNA, proteins, and pigment, provides a framework for cellular specialization during development. During maturation, Xenopus oocytes also acquire metals needed for development, but apart from zinc, little is known about their distribution. Synchrotron X-ray fluorescence microprobe was used to map iron, copper, and zinc and the metalloid selenium in a whole oocyte. Iron, zinc, and copper were asymmetrically distributed in the cytoplasm, while selenium and copper were more abundant in the nucleus. A zone of high copper and zinc was seen in the animal pole cytoplasm. Iron was alsomore » concentrated in the animal pole but did not colocalize with zinc, copper, or pigment accumulations. This asymmetry of metal deposition may be important for normal development. Synchrotron X-ray fluorescence microprobe will be a useful tool to examine how metals accumulate and redistribute during fertilization and embryonic development.« less

Modeling of the ITER-like wide-angle infrared thermography view of JET.

PubMed

Aumeunier, M-H; Firdaouss, M; Travère, J-M; Loarer, T; Gauthier, E; Martin, V; Chabaud, D; Humbert, E

2012-10-01

Infrared (IR) thermography systems are mandatory to ensure safe plasma operation in fusion devices. However, IR measurements are made much more complicated in metallic environment because of the spurious contributions of the reflected fluxes. This paper presents a full predictive photonic simulation able to assess accurately the surface temperature measurement with classical IR thermography from a given plasma scenario and by taking into account the optical properties of PFCs materials. This simulation has been carried out the ITER-like wide angle infrared camera view of JET in comparing with experimental data. The consequences and the effects of the low emissivity and the bidirectional reflectivity distribution function used in the model for the metallic PFCs on the contribution of the reflected flux in the analysis are discussed.

Infrared spectra of MF2, MF2+, MF4-, MF3, and M2F6 molecules (M = Sc, Y, La) in solid argon.

PubMed

Wang, Xuefeng; Andrews, Lester

2010-02-18

Reactions of laser-ablated Sc, Y and La atoms with F(2) in excess argon gave new absorptions in the M-F stretching region, which are assigned to metal fluoride neutral species MF(2) and MF(3) and ions MF(2)(+) and MF(4)(-). Dibridged MF(3) dimers, M(2)F(6), were also identified through terminal M-F and bridge M-F-M stretching modes. Density functional theory (DFT) calculations substantiated the experimental assignments. Mulliken and natural charge distributions indicate significant electron transfer from metal d orbitals to F ligands that increase from Sc to La, suggesting that strong participation of La 5d orbital hybridization drives the F-La-F bond angle below 120 degrees.

Liquid phase blending of metal-organic frameworks.

PubMed

Longley, Louis; Collins, Sean M; Zhou, Chao; Smales, Glen J; Norman, Sarah E; Brownbill, Nick J; Ashling, Christopher W; Chater, Philip A; Tovey, Robert; Schönlieb, Carola-Bibiane; Headen, Thomas F; Terrill, Nicholas J; Yue, Yuanzheng; Smith, Andrew J; Blanc, Frédéric; Keen, David A; Midgley, Paul A; Bennett, Thomas D

2018-06-15

The liquid and glass states of metal-organic frameworks (MOFs) have recently become of interest due to the potential for liquid-phase separations and ion transport, alongside the fundamental nature of the latter as a new, fourth category of melt-quenched glass. Here we show that the MOF liquid state can be blended with another MOF component, resulting in a domain structured MOF glass with a single, tailorable glass transition. Intra-domain connectivity and short range order is confirmed by nuclear magnetic resonance spectroscopy and pair distribution function measurements. The interfacial binding between MOF domains in the glass state is evidenced by electron tomography, and the relationship between domain size and T g investigated. Nanoindentation experiments are also performed to place this new class of MOF materials into context with organic blends and inorganic alloys.

Quantum interference in coherent tunneling through branched molecular junctions containing ferrocene centers

NASA Astrophysics Data System (ADS)

Zhao, Xin; Kastlunger, Georg; Stadler, Robert

2017-08-01

In our theoretical study where we combine a nonequilibrium Green's function approach with density functional theory we investigate branched compounds containing ferrocene moieties in both branches which, due to their metal centers, are designed to allow for asymmetry induced by local charging. In these compounds the ferrocene moieties are connected to pyridyl anchor groups either directly or via acetylenic spacers in a metaconnection, where we also compare our results with those obtained for the respective single-branched molecules with both meta- and paraconnections between the metal center and the anchors. We find a destructive quantum interference (DQI) feature in the transmission function slightly below the lowest unoccupied molecular orbital, which dominates the conductance even for the uncharged branched compound with spacer groups inserted. In an analysis based on mapping the structural characteristics of the range of molecules in our article onto tight-binding models, we identify the structural source of the DQI minimum as the through-space coupling between the pyridyl anchor groups. We also find that local charging in one of the branches changes the conductance only by about one order of magnitude, which we explain in terms of the spatial distributions of the relevant molecular orbitals for the branched compounds.

Enhanced electron emission from coated metal targets: Effect of surface thickness on performance

NASA Astrophysics Data System (ADS)

Madas, Saibabu; Mishra, S. K.; Upadhyay Kahaly, Mousumi

2018-03-01

In this work, we establish an analytical formalism to address the temperature dependent electron emission from a metallic target with thin coating, operating at a finite temperature. Taking into account three dimensional parabolic energy dispersion for the target (base) material and suitable thickness dependent energy dispersion for the coating layer, Fermi Dirac statistics of electron energy distribution and Fowler's mechanism of the electron emission, we discuss the dependence of the emission flux on the physical properties such as the Fermi level, work function, thickness of the coating material, and operating temperature. Our systematic estimation of how the thickness of coating affects the emission current demonstrates superior emission characteristics for thin coating layer at high temperature (above 1000 K), whereas in low temperature regime, a better response is expected from thicker coating layer. This underlying fundamental behavior appears to be essentially identical for all configurations when work function of the coating layer is lower than that of the bulk target work function. The analysis and predictions could be useful in designing new coated materials with suitable thickness for applications in the field of thin film devices and field emitters.

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

PubMed

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

2014-08-01

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

A time-course analysis of changes in cerebral metal levels following a controlled cortical impact.

PubMed

Portbury, Stuart D; Hare, Dominic J; Sgambelloni, Charlotte; Finkelstein, David I; Adlard, Paul A

2016-02-01

Traumatic brain injury (TBI) is complicated by a sudden and dramatic change in brain metal levels, including iron (Fe), copper (Cu) and zinc (Zn). Specific 'metallo-pathological' features of TBI include increased non-heme bound Fe and the liberation of free Zn ions, both of which may contribute to the pathogenesis of TBI. To further characterise the metal dyshomeostasis that occurs following brain trauma, we performed a quantitative time-course survey of spatial Fe, Cu and Zn distribution in mice receiving a controlled cortical impact TBI. Images of brain metal levels produced using laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) in the upper quadrant of the ipsilateral hemisphere were compared to the corresponding contralateral hemisphere, together with regional areas radiating toward the center of the brain from the site of lesion. Significant regional and time point specific elevations in Fe, Zn and Cu were detected immediately and up to 28 days after TBI. The magnitude and timeframe of many of these changes suggest that TBI results in a pronounced and sustained alteration in normal metal levels within the brain. Such alterations are likely to play a role in both the short- and long-term consequences of head trauma and suggest that pharmacological modulation to normalize these metal levels may be efficacious in improving functional outcome.

Controlled growth of Au nanoparticles in co-evaporated metal/polymer composite films and their optical and electrical properties

NASA Astrophysics Data System (ADS)

Takele, H.; Schürmann, U.; Greve, H.; Paretkar, D.; Zaporojtchenko, V.; Faupel, F.

2006-02-01

Nanocomposite films containing Au nanoparticles embedded in a polymer matrix were prepared by vapour phase co-deposition of Au and polymers (Teflon AF and Poly(α -methylstyrene)) in high vacuum. The microstructure of the composite materials as well as metal content strongly depend on the condensation coefficient of the Au atoms, the deposition rates of the components, the substrate temperature, and the type of polymer matrix. The condensation coefficient, which varies between 0.03 and 1, was determined from energy dispersive X-ray spectrometer (EDX) and surface profilometry. It is shown that the microstructure of nanocomposites (size, size distribution, and interparticle separation of metal clusters), which was determined by transmission electron microscopy, can be controlled by the deposition parameters and the choice of polymer matrix. The optical absorption in the visible region due to the particle plasmon resonance has a strong dependence on the metal filling factor. The correlation between the microstructure of nanocomposites and optical properties, studied using UV-Vis spectroscopy, was also established. Further more, the electrical properties of the composites were studied as a function of the metal volume fraction. It was observed that the nanocomposite films exhibit a percolation threshold at a metal volume fraction of 0.43 and 0.20 for gold nanoclusters in Teflon AF and Poly(α-methylstyrene), respectively.

Covalent heterogenization of discrete bis(8-quinolinolato)dioxomolybdenum(VI) and dioxotungsten(VI) complexes by a metal-template/metal-exchange method: Cyclooctene epoxidation catalysts with enhanced performances

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Ying; Chattopadhyay, Soma; Shibata, Tomohiro

A metal-template/metal-exchange method was used to imprint covalently attached bis(8- quinolinolato)dioxomolybdenum(VI) and dioxotungsten(VI) complexes onto large surface-area, mesoporous SBA-15 silica to obtain discrete MoO2 VIT and WO2 VIT catalysts bearing different metal loadings, respectively. Homogeneous counterparts, MoO2 VIN and WO2 VIN, as well as randomly ligandgrafted heterogeneous analogues, MoO2 VIG and WO2 VIG, were also prepared for comparison. X-ray absorption fine structure (XAFS), pair distribution function (PDF) and UV–vis data demonstrate that MoO2 VIT and WO2 VIT adopt a more solution-like bis(8-quinolinol) coordination environment than MoO2 VIG and WO2 VIG, respectively. Correspondingly, the templated MoVI and WVI catalysts show superiormore » performances to their randomly grafted counterparts and neat analogues in the epoxidation of cyclooctene. It is found that the representative MoO2 VIT-10% catalyst can be recycled up to five times without significant loss of reactivity, and heterogeneity test confirms the high stability of MoO2 VIT-10% catalyst against leaching of active species into solution. The homogeneity of the discrete bis(8-quinolinol) metal spheres templated on SBA-15 should be responsible for the superior performances.« less

METALLICITY EVOLUTION OF THE SIX MOST LUMINOUS M31 DWARF SATELLITES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ho, Nhung; Geha, Marla; Tollerud, Erik J.

We present global metallicity properties, metallicity distribution functions (MDFs), and radial metallicity profiles for the six most luminous M31 dwarf galaxy satellites: M32, NGC 205, NGC 185, NGC 147, Andromeda VII, and Andromeda II. The results presented are the first spectroscopic MDFs for dwarf systems surrounding a host galaxy other than the Milky Way (MW). Our sample consists of individual metallicity measurements for 1243 red giant branch member stars spread across these six systems. We determine metallicities based on the strength of the Ca II triplet lines using the empirical calibration of Carrera et al., which is calibrated over the metallicity range –4 < [Fe/H] <+0.5. We findmore » that these M31 satellites lie on the same luminosity-metallicity relationship as the MW dwarf satellites. We do not find a trend between the internal metallicity spread and galaxy luminosity, contrary to previous studies. The MDF widths of And II and And VII are similar to the MW dwarf spheroidal (dSph) satellites of comparable luminosity; however, our four brightest M31 dwarf satellites are more luminous than any of the MW dSphs and have broader MDFs. The MDFs of our six M31 dwarf satellites are consistent with the leaky box model of chemical evolution, although our metallicity errors allow a wide range of evolution models. We find a significant radial gradient in metallicity in only two of our six systems, NGC 185 and Andromeda II, and flat radial metallicity gradients in the rest of our sample with no observed correlation between rotational support and radial metallicity gradients. Although the average properties and radial trends of the M31 dwarf galaxies agree with their MW counterparts at similar luminosity, the detailed MDFs are different, particularly at the metal-rich end.« less

Direct Probing of the Dielectric Scavenging-Layer Interface in Oxide Filamentary-Based Valence Change Memory.

PubMed

Celano, Umberto; Op de Beeck, Jonathan; Clima, Sergiu; Luebben, Michael; Koenraad, Paul M; Goux, Ludovic; Valov, Ilia; Vandervorst, Wilfried

2017-03-29

A great improvement in valence change memory performance has been recently achieved by adding another metallic layer to the simple metal-insulator-metal (MIM) structure. This metal layer is often referred to as oxygen exchange layer (OEL) and is introduced between one of the electrodes and the oxide. The OEL is believed to induce a distributed reservoir of defects at the metal-insulator interface thus providing an unlimited availability of building blocks for the conductive filament (CF). However, its role remains elusive and controversial owing to the difficulties to probe the interface between the OEL and the CF. Here, using Scalpel SPM we probe multiple functions of the OEL which have not yet been directly measured, for two popular VCMs material systems: Hf/HfO 2 and Ta/Ta 2 O 5 . We locate and characterize in three-dimensions the volume containing the oxygen exchange layer and the CF with nanometer lateral resolution. We demonstrate that the OEL induces a thermodynamic barrier for the CF and estimate the minimum thickness of the OEL/oxide interface to guarantee the proper switching operations is ca. 3 nm. Our experimental observations are combined to first-principles thermodynamics and defect kinetics to elucidate the role of the OEL for device optimization.

Modeling of absorption and scattering properties of core -shell nanoparticles for application as nanoantenna in optical domain

NASA Astrophysics Data System (ADS)

Devi, Jutika; Saikia, Rashmi; Datta, Pranayee

2016-10-01

The present paper describes the study of core-shell nanoparticles for application as nanoantenna in the optical domain. To obtain the absorption and extinction efficiencies as well as the angular distribution of the far field radiation pattern and the resonance wavelengths for these metal-dielectric, dielectric-metal and metal-metal core-shell nanoparticles in optical domain, we have used Finite Element Method based COMSOL Multiphysics Software and Mie Theory. From the comparative study of the extinction efficiencies of core-shell nanoparticles of different materials, it is found that for silica - gold core - shell nanoparticles, the resonant wavelength is greater than that of the gold - silver, silver-gold and gold-silica core - shell nanoparticles and also the radiation pattern of the silica-gold core-shell nanoparticle is the most suitable one from the point of view of directivity. The dielectric functions of the core and shell material as well as of the embedded matrix are extremely important and plays a very major role to tune the directivity and resonance wavelength. Such highly controllable parameters of the dielectric - metal core - shell nanoparticles make them suitable for efficient coupling of optical radiation into nanoscale structures for a broad range of applications in the field of communications.

The Role of Structural and Compositional Heterogeneities in the Insulator-to-Metal Transition in Hole-Doped APd3O4 (A = Ca, Sr).

PubMed

Lamontagne, Leo K; Laurita, Geneva; Knight, Michael; Yusuf, Huma; Hu, Jerry; Seshadri, Ram; Page, Katharine

2017-05-01

The cubic semiconducting compounds APd 3 O 4 (A = Ca, Sr) can be hole-doped by Na substitution on the A site and driven toward more conducting states. This process has been followed here by a number of experimental techniques to understand the evolution of electronic properties. While an insulator-to-metal transition is observed in Ca 1-x Na x Pd 3 O 4 for x ≥ 0.15, bulk metallic behavior is not observed for Sr 1-x Na x Pd 3 O 4 up to x = 0.20. Given the very similar crystal and (calculated) electronic structures of the two materials, the distinct behavior is a matter of interest. We present evidence of local disorder in the A = Sr materials through the analysis of the neutron pair distribution function, which is potentially at the heart of the distinct behavior. Solid-state 23 Na nuclear magnetic resonance studies additionally suggest a percolative insulator-to-metal transition mechanism, wherein presumably small regions with a signal resembling metallic NaPd 3 O 4 form almost immediately upon Na substitution, and this signal grows monotonically with substitution. Some signatures of increased local disorder and a propensity for Na clustering are seen in the A = Sr compounds.

Synthesis, spectroscopic, thermal and DFT calculations of 2-(3-amino-2-hydrazono-4-oxothiazolidin-5-yl) acetic acid binuclear metal complexes

NASA Astrophysics Data System (ADS)

Hassan, Walid M. I.; Badawy, M. A.; Mohamed, Gehad G.; Moustafa, H.; Elramly, Salwa

2013-07-01

The binuclear complexes of 2-(3-amino-2-hydrazono-4-oxothiazolidin-5-yl) acetic acid ligand (HL) with Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) ions were prepared and their stoichiometry was determined by elemental analysis. The stereochemistry of the studied series of metal complexes was established by analyzing their infrared, 1H NMR spectra and the magnetic moment measurements. According to the elemental analysis data, the complexes were found to have the formulae [Fe2L(H2O)8]Cl5 and [M2L(H2O)8]Cl3 (M = Co(II), Ni(II), Cu(II) and Zn(II)). The present analyses demonstrate that all metal ions coordinated to the ligand via O(9), O(11), N(16) and N(18) atoms. Thermal decomposition studies of the ligand-metal complexes have been performed to verify the status of water molecules present in these metal complexes and their general decomposition pattern. Density Functional Theory (DFT) calculations at the B3LYP/6-31G* level of theory have been carried out to investigate the equilibrium geometry of the ligand and complexes. Moreover, charge density distribution, extent of distortion from regular geometry, dipole moment and orientation have been performed and discussed.

Chemical enrichment in cosmological, smoothed particle hydrodynamics simulations

NASA Astrophysics Data System (ADS)

Wiersma, Robert P. C.; Schaye, Joop; Theuns, Tom; Dalla Vecchia, Claudio; Tornatore, Luca

2009-10-01

We present an implementation of stellar evolution and chemical feedback for smoothed particle hydrodynamics simulations. We consider the timed release of individual elements by both massive (Type II supernovae and stellar winds) and intermediate-mass stars (Type Ia supernovae and asymptotic giant branch stars). We illustrate the results of our method using a suite of cosmological simulations that include new prescriptions for radiative cooling, star formation and galactic winds. Radiative cooling is implemented element-by-element, in the presence of an ionizing radiation background, and we track all 11 elements that contribute significantly to the radiative cooling. While all simulations presented here use a single set of physical parameters, we take specific care to investigate the robustness of the predictions of chemodynamical simulations with respect to the ingredients, the methods and the numerical convergence. A comparison of nucleosynthetic yields taken from the literature indicates that relative abundance ratios may only be reliable at the factor of 2 level, even for a fixed initial mass function. Abundances relative to iron are even more uncertain because the rate of Type Ia supernovae is not well known. We contrast two reasonable definitions of the metallicity of a resolution element and find that while they agree for high metallicities, there are large differences at low metallicities. We argue that the discrepancy is indicative of the lack of metal mixing caused by the fact that metals are stuck to particles. We argue that since this is a (numerical) sampling problem, solving it by using a poorly constrained physical process such as diffusion could have undesired consequences. We demonstrate that the two metallicity definitions result in redshift z = 0 stellar masses that can differ by up to a factor of 2, because of the sensitivity of the cooling rates to the elemental abundances. Finally, we use several 5123 particle simulations to investigate the evolution of the distribution of heavy elements, which we find to be in reasonably good agreement with available observational constraints. We find that by z = 0 most of the metals are locked up in stars. The gaseous metals are distributed over a very wide range of gas densities and temperatures. The shock-heated warm-hot intergalactic medium has a relatively high metallicity of ~10-1Zsolar that evolves only weakly, and is therefore an important reservoir of metals. Any census aiming to account for most of the metal mass will have to take a wide variety of objects and structures into account.

[Study on distribution characteristics and potential ecological risk of soil heavy metals in the Yellow River beach region in Kaifeng City].

PubMed

Zhang, Peng-yan; Qin, Ming-zhou; Chen, Long; Hu, Chang-hui; Zhao, Ya-ping; Dong, Wei-jun

2013-09-01

The distributions, soil environment status and potential ecological risk of heavy metals were studied in beach soil of returning the cropland into Yellow River beach region in Kaifeng by the Nemerows and Håkansons methods. The results showed that (1) as Among the average contents of the five heavy metals Pb, Cr, Hg, As and Cd, the highest was the average content of Cr, and the lowest was the average content of Pb and Hg. In addition to Hg, the coefficients of variation of other heavy metals were relatively small, indicating that the content of heavy metals was quite different at different sites, and to some extent, relecting that Hg, As and Pb were the major elements polluting the soil, among which, Pb pollution was the pollution with universality. There was little difference in the contents of Cr and Cd from village to village the coefficient of variation was small, and the contents were below the national standard level. (2) There was significant difference in the spatial distribution of soil heavy metal elements in the upper, the middle and lower sections of the study area. The upper section was clean, the middle section was slightly polluted, and the lower section was enriched with pollutants. (3) The distribution of heavy metals in the beach region inside and outside the levees of Yellow River was closely related to the distribution of the residential regions. In the upper section of the beach region (southwest), the population was large and the contents of heavy metals were high. The contents of heavy metals were lower in the near river zone than outside the levees of Yellow River. And the heavy metal contents in the middle and lower section were higher than those outside the levees of Yellow River, while the lower section (northwest) showed a tendency of pollution enrichment. (4) In the view of the average individual potential ecological risk index of heavy metals (E(r)i), the potential ecological risk of Hg reached intense levels, and the potential ecological risk of Pb's contribution to the integrated risk was 50.5%, which was the heavy metal with highest ecological risks. Cd and Pb had a moderate ecological risk, while As and Cr had minor ecological risk. Ecological hazards of heavy metals ranked in the ascending order of Hg > Pb > As > Cd > Cr. (5) The ecological hazard of the heavy metals was ranked in the order Hg > Cd > As > Pb > Cr. Based on the potential ecological risk level corresponding to the RI values, it was shown that there was moderate potential ecological risks of heavy metals in the Yellow River beach region in Kaifeng.

Effects of Metal Composition and Ratio on Peptide-Templated Multimetallic PdPt Nanomaterials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Merrill, Nicholas A.; Nitka, Tadeusz T.; McKee, Erik M.

It can be difficult to simultaneously control the size, composition, and morphology of metal nanomaterials under benign aqueous conditions. For this, bio-inspired approaches have become increasing popular due to their ability to stabilize a wide array of metal catalysts under ambient conditions. In this regard, we used the R5 peptide as a 3D template for the formation of PdPt bimetallic nanomaterials. Monometallic Pd and Pt nanomaterials have been shown to be highly reactive towards a variety of catalytic processes, but by forming bimetallic species, increased catalytic activity may be realized. The optimal metal-to-metal ratio was determined by varying the Pd:Ptmore » ratio to obtain the largest increase in catalytic activity. To better understand the morphology and the local atomic structure of the materials, the bimetallic PdPt nanomaterials were extensively studied using transmission electron microscopy, extended X-ray absorption fine structure spectroscopy, X-ray photoelectron spectroscopy, and pair distribution function analysis. The resulting PdPt materials were determined to form multicomponent nanostructures where the Pt component demonstrated varying degrees of oxidation based upon the Pd:Pt ratio. To test the catalytic reactivity of the materials, olefin hydrogenation was conducted which indicated a slight catalytic enhancement for the multicomponent materials. These results suggest a strong correlation between the metal ratio and the stabilizing biotemplate in controlling the final materials morphology, composition, and the interactions between the two metal species.« less

Effects of metal composition and ratio on peptide-templated multimetallic PdPt nanomaterials

DOE PAGES

Merrill, Nicholas A.; Nitka, Tadeusz T.; McKee, Erik M.; ...

2017-02-03

It can be difficult to simultaneously control the size, composition, and morphology of metal nanomaterials under benign aqueous conditions. For this, bioinspired approaches have become increasingly popular due to their ability to stabilize a wide array of metal catalysts under ambient conditions. In this regard, we used the R5 peptide as a three-dimensional template for formation of PdPt bimetallic nanomaterials. Monometallic Pd and Pt nanomaterials have been shown to be highly reactive toward a variety of catalytic processes, but by forming bimetallic species, increased catalytic activity may be realized. The optimal metal-to-metal ratio was determined by varying the Pd:Pt ratiomore » to obtain the largest increase in catalytic activity. To better understand the morphology and the local atomic structure of the materials, the bimetallic PdPt nanomaterials were extensively studied by transmission electron microscopy, extended X-ray absorption fine structure spectroscopy, X-ray photoelectron spectroscopy, and pair distribution function analysis. The resulting PdPt materials were determined to form multicomponent nanostructures where the Pt component demonstrated varying degrees of oxidation based upon the Pd:Pt ratio. To test the catalytic reactivity of the materials, olefin hydrogenation was conducted, which indicated a slight catalytic enhancement for the multicomponent materials. Finally, these results suggest a strong correlation between the metal ratio and the stabilizing biotemplate in controlling the final materials morphology, composition, and the interactions between the two metal species.« less

Influence of low molecular weight fractions of humic substances on reducing capacities and distribution of redox functional groups

NASA Astrophysics Data System (ADS)

Yang, Zhen; Jiang, Jie

2016-04-01

Humic substances (HS) are redox-active organic compounds and their reducing capacities depend on their molecule structure and distribution of redox functional groups (RFG). During dialysis experiments, bulk humic acids (HA) were separated into low molecular weight fractions (LMWF) and retentate. LMWF account for only 2% of the total organic carbon content of HA molecules, however, their reducing capacities are up to 33 times greater than either those of the bulk HA or retentate. Furthermore, the total reducing capacity of the bulk HA accounts for less than 15% of the total reducing capacity of bulk HA, retentate and LMWF combined, suggesting that releasing of LMWF cannot reduce the number of RFG. RFG are neither in fixed amounts nor in uniformly distributed in bulk HA. LWMF have great fluorescence intensities for humic-like fluorophores (quinone-like functional groups), where quinonoid π-π* transition is responsible for the great reducing capacities of LMWF, and protein-like fluorophores. The 3,500 Da molecules (1.25 nm diameter) of HS could stimulate transformation of redox-active metals or potential pollutants trapped in soil micropores (< 2 nm diameter). A development of relationship between reducing capacity and Ex/Em position provides a possibility to predicate relative reducing capacities of HS in environmental samples.

A novel fractionation approach for water constituents - distribution of storm event metals.

PubMed

McKenzie, Erica R; Young, Thomas M

2013-05-01

A novel fractionation method, based on both particle size and settling characteristics, was employed to examine metal distributions among five fractions. In-stream and stormwater runoff samples were collected from four land use types: highway, urban, agricultural (storm event and irrigation), and natural. Highway samples contained the highest dissolved concentrations for most metals, and freshwater ambient water quality criteria were exceeded for Cd, Cu, Pb, and Zn in the first storm of the water year. Anthropogenic sources were indicated for Cu, Zn, Cd, and Pb in highway and urban samples, and total metal loadings (mg km(-2)) were observed to be as follows: highway > urban > agricultural storm event ∼ natural > agricultural irrigation. Notably, ∼10-fold higher suspended solids concentration was observed in the agricultural storm event sample, and suspended solids-associated metals were correspondingly elevated. Distribution coefficients revealed the following affinities: Zn, Ni, Cd, and Pb to large dense particles; and Cu, Zn, Cr, Ni, and Pb to colloidal organic matter.

A novel fractionation approach for water constituents – distribution of storm event metals

PubMed Central

McKenzie, Erica R.; Young, Thomas M.

2014-01-01

A novel fractionation method, based on both particle size and settling characteristics, was employed to examine metal distributions among five fractions. In-stream and stormwater runoff samples were collected from four land use types: highway, urban, agricultural (storm event and irrigation), and natural. Highway samples contained the highest dissolved concentrations for most metals, and freshwater ambient water quality criteria were exceeded for Cd, Cu, Pb, and Zn in the first storm of the water year. Anthropogenic sources were indicated for Cu, Zn, Cd, and Pb in highway and urban samples, and total metal loadings (mg/km2) were observed to be as follows: highway > urban > agricultural storm event ~ natural > agricultural irrigation. Notably, ~10-fold higher suspended solids concentration was observed in the agricultural storm event sample, and suspended solids-associated metals were correspondingly elevated. Distribution coefficients revealed the following affinities: Zn, Ni, Cd, and Pb to large dense particles; and Cu, Zn, Cr, Ni, and Pb to colloidal organic matter. PMID:23535891

30 CFR 56.12006 - Distribution boxes.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Distribution boxes. 56.12006 Section 56.12006 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR METAL AND NONMETAL MINE SAFETY AND HEALTH SAFETY AND HEALTH STANDARDS-SURFACE METAL AND NONMETAL MINES Electricity § 56.12006...

30 CFR 56.12006 - Distribution boxes.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 30 Mineral Resources 1 2013-07-01 2013-07-01 false Distribution boxes. 56.12006 Section 56.12006 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR METAL AND NONMETAL MINE SAFETY AND HEALTH SAFETY AND HEALTH STANDARDS-SURFACE METAL AND NONMETAL MINES Electricity § 56.12006...

30 CFR 56.12006 - Distribution boxes.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Distribution boxes. 56.12006 Section 56.12006 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR METAL AND NONMETAL MINE SAFETY AND HEALTH SAFETY AND HEALTH STANDARDS-SURFACE METAL AND NONMETAL MINES Electricity § 56.12006...

30 CFR 56.12006 - Distribution boxes.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Distribution boxes. 56.12006 Section 56.12006 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR METAL AND NONMETAL MINE SAFETY AND HEALTH SAFETY AND HEALTH STANDARDS-SURFACE METAL AND NONMETAL MINES Electricity § 56.12006...

30 CFR 56.12006 - Distribution boxes.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 30 Mineral Resources 1 2011-07-01 2011-07-01 false Distribution boxes. 56.12006 Section 56.12006 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR METAL AND NONMETAL MINE SAFETY AND HEALTH SAFETY AND HEALTH STANDARDS-SURFACE METAL AND NONMETAL MINES Electricity § 56.12006...

Second-harmonic generation from a positive-negative index material heterostructure.

PubMed

Mattiucci, Nadia; D'Aguanno, Giuseppe; Bloemer, Mark J; Scalora, Michael

2005-12-01

Resonant cavities have been widely used in the past to enhance material, nonlinear response. Traditional mirrors include metallic films and distributed Bragg reflectors. In this paper we propose negative index material mirrors as a third alternative. With the help of a rigorous Green function approach, we investigate second harmonic generation from single and coupled cavities, and theoretically prove that negative index material mirrors can raise the nonlinear conversion efficiency of a bulk material by at least four orders of magnitude compared to a bulk medium.

Xenon-Ion Drilling of Tungsten Films

NASA Technical Reports Server (NTRS)

Garner, C. E.

1986-01-01

High-velocity xenon ions used to drill holes of controlled size and distribution through tungsten layer that sheaths surface of controlled-porosity dispenser cathode of traveling wave-tube electron emitter. Controlled-porosity dispenser cathode employs barium/calcium/ aluminum oxide mixture that migrates through pores in cathode surface, thus coating it and reducing its work function. Rapid, precise drilling technique applied to films of other metals and used in other applications where micron-scale holes required. Method requires only few hours, as opposed to tens of hours by prior methods.

Multiple Scattering Effects in EXAFS (Extended X-Ray Absorption Fine Structure): Comparison between Theory and Experiment for Pt Metal.

DTIC Science & Technology

1984-05-29

radial distribution and inverse transform of this range. The region commonly used for the inverse transform usually corresponds to the first or second...r-space and comparing it with the corresponding model function. Figure 5 shows the filtered spectra (k weighting), where the pe. 48 allowed inverse ... transform range was successively increased from the radial distance corresponding to the first shell to all the first four shells. There are no multiple

Mathematical modeling of the temperature distribution under the cathode spot of the vacuum arc

NASA Astrophysics Data System (ADS)

Kuznetsov, V. G.; Babushkina, E. S.

2016-07-01

We present a solution to the problem of the temperature distribution under the cathode spot of taking into account melting and spare deposits of metal, brought to boiling temperature on the surface of the cathode spot. The process of heat transfer in the metal is described by the unsteady three dimensional heat conduction equation in Cartesian coordinate system. Similarly, we present a solution to the problem of the temperature distribution in the presence of the pores in the surface layer of the metal. To solve this task we used a numerical method to finite differences and variable directions. We present the calculated data on the distribution of temperature under the cathode spot for different values of spot diameters and speeds its movement.

Equilibrium distribution of rare earth elements between molten KCl-LiCl eutectic salt and liquid cadmium

NASA Astrophysics Data System (ADS)

Sakata, Masahiro; Kurata, Masaki; Hijikata, Takatoshi; Inoue, Tadashi

1991-11-01

Distribution experiments for several rare earth elements (La, Ce, Pr, Nd and Y) between molten KCl-LiCl eutectic salt and liquid Cd were carried out at 450, 500 and 600°C. The material balance of rare earth elements after reaching the equilibrium and their distribution and chemical states in a Cd sample frozen after the experiment were examined. The results suggested the formation of solid intermetallic compounds at the lower concentrations of rare earth metals dissolved in liquid Cd than those solubilities measured in the binary alloy system. The distribution coefficients of rare earth elements between two phases (mole fraction in the Cd phase divided by mole fraction in the salt phase) were determined at each temperature. These distribution coefficients were explained satisfactorily by using the activity coefficients of chlorides and metals in salt and Cd. Both the activity coefficients of metal and chloride caused a much smaller distribution coefficient of Y relative to those of other elements.

Verification of Anderson Superexchange in MnO via Magnetic Pair Distribution Function Analysis and ab initio Theory.

PubMed

Frandsen, Benjamin A; Brunelli, Michela; Page, Katharine; Uemura, Yasutomo J; Staunton, Julie B; Billinge, Simon J L

2016-05-13

We present a temperature-dependent atomic and magnetic pair distribution function (PDF) analysis of neutron total scattering measurements of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. The known antiferromagnetic ground-state structure fits the low-temperature data closely with refined parameters that agree with conventional techniques, confirming the reliability of the newly developed magnetic PDF method. The measurements performed in the paramagnetic phase reveal significant short-range magnetic correlations on a ∼1  nm length scale that differ substantially from the low-temperature long-range spin arrangement. Ab initio calculations using a self-interaction-corrected local spin density approximation of density functional theory predict magnetic interactions dominated by Anderson superexchange and reproduce the measured short-range magnetic correlations to a high degree of accuracy. Further calculations simulating an additional contribution from a direct exchange interaction show much worse agreement with the data. The Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.

Verification of Anderson superexchange in MnO via magnetic pair distribution function analysis and ab initio theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Benjamin A. Frandsen; Brunelli, Michela; Page, Katharine

Here, we present a temperature-dependent atomic and magnetic pair distribution function (PDF) analysis of neutron total scattering measurements of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. The known antiferromagnetic ground-state structure fits the low-temperature data closely with refined parameters that agree with conventional techniques, confirming the reliability of the newly developed magnetic PDF method. The measurements performed in the paramagnetic phase reveal significant short-range magnetic correlations on a ~1 nm length scale that differ substantially from the low-temperature long-range spin arrangement. Ab initio calculations using a self-interaction-corrected local spin density approximation of density functional theory predict magnetic interactions dominatedmore » by Anderson superexchange and reproduce the measured short-range magnetic correlations to a high degree of accuracy. Further calculations simulating an additional contribution from a direct exchange interaction show much worse agreement with the data. Furthermore, the Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.« less

Verification of Anderson superexchange in MnO via magnetic pair distribution function analysis and ab initio theory

DOE PAGES

Benjamin A. Frandsen; Brunelli, Michela; Page, Katharine; ...

2016-05-11

Here, we present a temperature-dependent atomic and magnetic pair distribution function (PDF) analysis of neutron total scattering measurements of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. The known antiferromagnetic ground-state structure fits the low-temperature data closely with refined parameters that agree with conventional techniques, confirming the reliability of the newly developed magnetic PDF method. The measurements performed in the paramagnetic phase reveal significant short-range magnetic correlations on a ~1 nm length scale that differ substantially from the low-temperature long-range spin arrangement. Ab initio calculations using a self-interaction-corrected local spin density approximation of density functional theory predict magnetic interactions dominatedmore » by Anderson superexchange and reproduce the measured short-range magnetic correlations to a high degree of accuracy. Further calculations simulating an additional contribution from a direct exchange interaction show much worse agreement with the data. Furthermore, the Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.« less

Identifying airborne metal particles sources near an optoelectronic and semiconductor industrial park

NASA Astrophysics Data System (ADS)

Chen, Ho-Wen; Chen, Wei-Yea; Chang, Cheng-Nan; Chuang, Yen-Hsun; Lin, Yu-Hao

2016-06-01

The recently developed Central Taiwan Science Park (CTSP) in central Taiwan is home to an optoelectronic and semiconductor industrial cluster. Therefore, exploring the elemental compositions and size distributions of airborne particles emitted from the CTSP would help to prevent pollution. This study analyzed size-fractionated metal-rich particle samples collected in upwind and downwind areas of CTSP during Jan. and Oct. 2013 by using micro-orifice uniform deposited impactor (MOUDI). Correlation analysis, hierarchical cluster analysis and particle mass-size distribution analysis are performed to identify the source of metal-rich particle near the CTSP. Analyses of elemental compositions and particle size distributions emitted from the CTSP revealed that the CTSP emits some metals (V, As, In Ga, Cd and Cu) in the ultrafine particles (< 1 μm). The statistical analysis combines with the particle mass-size distribution analysis could provide useful source identification information. In airborne particles with the size of 0.32 μm, Ga could be a useful pollution index for optoelectronic and semiconductor emission in the CTSP. Meanwhile, the ratios of As/Ga concentration at the particle size of 0.32 μm demonstrates that humans near the CTSP would be potentially exposed to GaAs ultrafine particles. That is, metals such as Ga and As and other metals that are not regulated in Taiwan are potentially harmful to human health.

Flood defence in the Blackwater Estuary, Essex, UK: the impact of sedimentological and geochemical changes on salt marsh development in the Tollesbury Managed Realignment site.

PubMed

Chang, Y H; Scrimshaw, M D; Macleod, C L; Lester, J N

2001-06-01

Recent changes in the UK's coastal defence strategy have resulted in the introduction of Managed Realignment (MR), a technique which attempts to establish salt marshes on low-lying coastal farmland. This work investigates the impact of MR, in particular on the interactions between sediment movement, changes in heavy metal concentrations and salt marsh development. Pre- and post-inundation samples were collected and analysed between 1995 and 1997. Sediment transport patterns (1996) demonstrated that sediment particles were distributed by tides around the site, resulting in a change in the spatial distribution of the metals which was related to the sediment particle size distribution. Despite the presence of some metal contaminants found within the MR site, vegetated salt marsh has developed since 1997. However, heavy metals such as Cu, Mn, Ni, Pb and Zn exhibited relative depletion in the sediment developing with salt marsh in 1997, which is in agreement with data indicating that concentrations of metals within sediments is related to frequency of tidal inundation. During initial development of the site, sediment transport was the main factor controlling metal distribution, however, subsequently the frequency of tidal inundation became the most significant factor. Further work may allow for prediction of how future MR sites will develop with respect to redistribution of sediments and subsequent transport of contaminants in the dissolved phase.

Diversity and Distribution of Heavy Metal-Resistant Bacteria in Polluted Sediments of the Araça Bay, São Sebastião (SP), and the Relationship Between Heavy Metals and Organic Matter Concentrations.

PubMed

Zampieri, Bruna Del Busso; Pinto, Aline Bartelochi; Schultz, Leonardo; de Oliveira, Marcos Antonio; de Oliveira, Ana Julia Fernandes Cardoso

2016-10-01

Heavy metals influence the population size, diversity, and metabolic activity of bacteria. In turn, bacteria can develop heavy metal resistance mechanisms, and this can be used in bioremediation of contaminated areas. The purpose of the present study was to understand how heavy metals concentration influence on diversity and distribution of heavy metal-resistant bacteria in Araça Bay, São Sebastião, on the São Paulo coast of Brazil. The hypothesis is that activities that contribute for heavy metal disposal and the increase of metals concentrations in environment can influence in density, diversity, and distribution of heavy metal-resistant bacteria. Only 12 % of the isolated bacteria were sensitive to all of the metals tested. We observed that the highest percentage of resistant strains were in areas closest to the São Sebastião channel, where port activity occurs and have bigger heavy metals concentrations. Bacterial isolated were most resistant to Cr, followed by Zn, Cd, and Cu. Few strains resisted to Cd levels greater than 200 mg L(-1). In respect to Cr, 36 % of the strains were able to grow in the presence of as much as 3200 mg L(-1). Few strains were able to grow at concentrations of Zn and Cu as high as 1600 mg L(-1), and none grew at the highest concentration of 3200 mg L(-1). Bacillus sp. was most frequently isolated and may be the dominant genus in heavy metal-polluted areas. Staphylococcus sp., Planococcus maritimus, and Vibrio aginolyticus were also isolated, suggesting their potential in bioremediation of contaminated sites.

Are Russian propolis ethanol extracts the future for the prevention of medical and biomedical implant contaminations?

PubMed

Ambi, Ashwin; Bryan, Julia; Borbon, Katherine; Centeno, Daniel; Liu, Tianchi; Chen, Tung Po; Cattabiani, Thomas; Traba, Christian

2017-07-01

Most studies reveal that the mechanism of action of propolis against bacteria is functional rather than structural and is attributed to a synergism between the compounds in the extracts. Propolis is said to inhibit bacterial adherence, division, inhibition of water-insoluble glucan formation, and protein synthesis. However, it has been shown that the mechanism of action of Russian propolis ethanol extracts is structural rather than functional and may be attributed to the metals found in propolis. If the metals found in propolis are removed, cell lysis still occurs and these modified extracts may be used in the prevention of medical and biomedical implant contaminations. The antibacterial activity of metal-free Russian propolis ethanol extracts (MFRPEE) on two biofilm forming bacteria: penicillin-resistant Staphylococcus aureus and Escherichia coli was evaluated using MTT and a Live/Dead staining technique. Toxicity studies were conducted on mouse osteoblast (MC-3T3) cells using the same viability assays. In the MTT assay, biofilms were incubated with MTT at 37°C for 30min. After washing, the purple formazan formed inside the bacterial cells was dissolved by SDS and then measured using a microplate reader by setting the detecting and reference wavelengths at 570nm and 630nm, respectively. Live and dead distributions of cells were studied by confocal laser scanning microscopy. Complete biofilm inactivation was observed when biofilms were treated for 40h with 2µg/ml of MFRPEE. Results indicate that the metals present in propolis possess antibacterial activity, but do not have an essential role in the antibacterial mechanism of action. Additionally, the same concentration of metals found in propolis samples, were toxic to tissue cells. Comparable to samples with metals, metal free samples caused damage to the cell membrane structures of both bacterial species, resulting in cell lysis. Results suggest that the structural mechanism of action of Russian propolis ethanol extracts stem predominate from the organic compounds. Further studies revealed drastically reduced toxicity to mammalian cells when metals were removed from Russian propolis ethanol extracts, suggesting a potential for medical and biomedical applications. Published by Elsevier GmbH.

Temperature dependence of trapping effects in metal gates/Al2O3/InGaAs stacks

NASA Astrophysics Data System (ADS)

Palumbo, F.; Pazos, S.; Aguirre, F.; Winter, R.; Krylov, I.; Eizenberg, M.

2017-06-01

The influence of the temperature on Metal Gate/Al2O3/n-InGaAs stacks has been studied by means of capacitance-voltage (C-V) hysteresis and flat band voltage as function of both negative and positive stress fields. It was found that the de-trapping effect decreases at low-temperature, indicating that the de-trapping of trapped electrons from oxide traps may be performed via Al2O3/InGaAs interface defects. The dependence of the C-V hysteresis on the stress field at different temperatures in our InGaAs stacks can be explained in terms of the defect spatial distribution. An oxide defect distribution can be found very close to the metal gate/Al2O3 interface. On the other side, the Al2O3/InGaAs interface presents defects distributed from the interface into the bulk of the oxide, showing the influence of InGaAs on Al2O3 in terms of the spatial defect distribution. At the present, he is a research staff of the National Council of Science and Technology (CONICET), working in the National Commission of Atomic Energy (CNEA) in Buenos Aires, Argentina, well embedded within international research collaboration. Since 2008, he is Professor at the National Technological University (UTN) in Buenos Aires, Argentina. Dr. Palumbo has received research fellowships from: Marie Curie Fellowship within the 7th European Community Framework Programme, Abdus Salam International Centre for Theoretical Physics (ICTP) Italy, National Council of Science and Technology (CONICET) Argentina, and Consiglio Nazionale delle Ricerche (CNR) Italy. He is also a frequent scientific visitor of academic institutions as IMM-CNR-Italy, Minatec Grenoble-France, the Autonomous University of Barcelona-Spain, and the Israel Institute of Technology-Technion. He has authored and co-authored more than 50 papers in international conferences and journals.

The mass-ratio and eccentricity distributions of barium and S stars, and red giants in open clusters

NASA Astrophysics Data System (ADS)

Van der Swaelmen, M.; Boffin, H. M. J.; Jorissen, A.; Van Eck, S.

2017-01-01

Context. A complete set of orbital parameters for barium stars, including the longest orbits, has recently been obtained thanks to a radial-velocity monitoring with the HERMES spectrograph installed on the Flemish Mercator telescope. Barium stars are supposed to belong to post-mass-transfer systems. Aims: In order to identify diagnostics distinguishing between pre- and post-mass-transfer systems, the properties of barium stars (more precisely their mass-function distribution and their period-eccentricity (P-e) diagram) are compared to those of binary red giants in open clusters. As a side product, we aim to identify possible post-mass-transfer systems among the cluster giants from the presence of s-process overabundances. We investigate the relation between the s-process enrichment, the location in the (P-e) diagram, and the cluster metallicity and turn-off mass. Methods: To invert the mass-function distribution and derive the mass-ratio distribution, we used the method pioneered by Boffin et al. (1992) that relies on a Richardson-Lucy deconvolution algorithm. The derivation of s-process abundances in the open-cluster giants was performed through spectral synthesis with MARCS model atmospheres. Results: A fraction of 22% of post-mass-transfer systems is found among the cluster binary giants (with companion masses between 0.58 and 0.87 M⊙, typical for white dwarfs), and these systems occupy a wider area than barium stars in the (P-e) diagram. Barium stars have on average lower eccentricities at a given orbital period. When the sample of binary giant stars in clusters is restricted to the subsample of systems occupying the same locus as the barium stars in the (P-e) diagram, and with a mass function compatible with a WD companion, 33% (=4/12) show a chemical signature of mass transfer in the form of s-process overabundances (from rather moderate - about 0.3 dex - to more extreme - about 1 dex). The only strong barium star in our sample is found in the cluster with the lowest metallicity in the sample (I.e. star 173 in NGC 2420, with [Fe/H] = -0.26), whereas the barium stars with mild s-process abundance anomalies (from 0.25 to 0.6 dex) are found in the clusters with slightly subsolar metallicities. Our finding confirms the classical prediction that the s-process nucleosynthesis is more efficient at low metallicities, since the s-process overabundance is not clearly correlated with the cluster turn-off (TO) mass; such a correlation would instead hint at the importance of the dilution factor. We also find a mild barium star in NGC 2335, a cluster with a large TO mass of 4.3 M⊙, which implies that asymptotic giant branch stars that massive still operate the s-process and the third dredge-up. Based on observations made with the Mercator Telescope, operated on the island of La Palma by the Flemish Community, at the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofisica de Canarias, and on observations made with the HARPS spectrograph installed on the 3.6 m telescope at the European Southern Observatory.

Rates of zinc and trace metal release from dissolving sphalerite at pH 2.0-4.0

USGS Publications Warehouse

Stanton, M.R.; Gemery-Hill, P. A.; Shanks, Wayne C.; Taylor, C.D.

2008-01-01

High-Fe and low-Fe sphalerite samples were reacted under controlled pH conditions to determine nonoxidative rates of release of Zn and trace metals from the solid-phase. The release (solubilization) of trace metals from dissolving sphalerite to the aqueous phase can be characterized by a kinetic distribution coefficient, (Dtr), which is defined as [(Rtr/X(tr)Sph)/(RZn/X(Zn) Sph)], where R is the trace metal or Zn release rate, and X is the mole fraction of the trace metal or Zn in sphalerite. This coefficient describes the relationship of the sphalerite dissolution rate to the trace metal mole fraction in the solid and its aqueous concentration. The distribution was used to determine some controls on metal release during the dissolution of sphalerite. Departures from the ideal Dtr of 1.0 suggest that some trace metals may be released via different pathways or that other processes (e.g., adsorption, solubility of trace minerals such as galena) affect the observed concentration of metals. Nonoxidative sphalerite dissolution (mediated by H+) is characterized by a "fast" stage in the first 24-30 h, followed by a "slow" stage for the remainder of the reaction. Over the pH range 2.0-4.0, and for similar extent of reaction (reaction time), sphalerite composition, and surface area, the rates of release of Zn, Fe, Cd, Cu, Mn and Pb from sphalerite generally increase with lower pH. Zinc and Fe exhibit the fastest rates of release, Mn and Pb have intermediate rates of release, and Cd and Cu show the slowest rates of release. The largest variations in metal release rates occur at pH 2.0. At pH 3.0 and 4.0, release rates show less variation and appear less dependent on the metal abundance in the solid. For the same extent of reaction (100 h), rates of Zn release range from 1.53 ?? 10-11 to 5.72 ?? 10-10 mol/m2/s; for Fe, the range is from 4.59 ?? 10-13 to 1.99 ?? 10-10 mol/m2/s. Trace metal release rates are generally 1-5 orders of magnitude slower than the Zn or Fe rates. Results indicate that the distributions of Fe and Cd are directly related to the rate of sphalerite dissolution throughout the reaction at pH 3.0 and 4.0 because these two elements substitute readily into sphalerite. These two metals are likely to be more amenable to usage in predictive acid dissolution models because of this behavior. The Pb distribution shows no strong relation to sphalerite dissolution and appears to be controlled by pH-dependent solubility, most likely related to trace amounts of galena. The distribution of Cu is similar to that of Fe but is the most-dependent of all metals on its mole fraction ratio (Zn:Cu) in sphalerite. The Mn distributions suggest an increase in the rate of Mn release relative to sphalerite dissolution occurs in low Mn samples as pH increases. The Mn distribution in high Mn samples is nearly independent of pH and sphalerite dissolution at pH 2.0 but shows a dependence on these two parameters at higher pH (3.0-4.0).

A Near-infrared RR Lyrae Census along the Southern Galactic Plane: The Milky Way’s Stellar Fossil Brought to Light

NASA Astrophysics Data System (ADS)

Dékány, István; Hajdu, Gergely; Grebel, Eva K.; Catelan, Márcio; Elorrieta, Felipe; Eyheramendy, Susana; Majaess, Daniel; Jordán, Andrés

2018-04-01

RR Lyrae stars (RRLs) are tracers of the Milky Way’s fossil record, holding valuable information on its formation and early evolution. Owing to the high interstellar extinction endemic to the Galactic plane, distant RRLs lying at low Galactic latitudes have been elusive. We attained a census of 1892 high-confidence RRLs by exploiting the near-infrared photometric database of the VVV survey’s disk footprint spanning ∼70° of Galactic longitude, using a machine-learned classifier. Novel data-driven methods were employed to accurately characterize their spatial distribution using sparsely sampled multi-band photometry. The RRL metallicity distribution function (MDF) was derived from their K s -band light-curve parameters using machine-learning methods. The MDF shows remarkable structural similarities to both the spectroscopic MDF of red clump giants and the MDF of bulge RRLs. We model the MDF with a multi-component density distribution and find that the number density of stars associated with the different model components systematically changes with both the Galactocentric radius and vertical distance from the Galactic plane, equivalent to weak metallicity gradients. Based on the consistency with results from the ARGOS survey, three MDF modes are attributed to the old disk populations, while the most metal-poor RRLs are probably halo interlopers. We propose that the dominant [Fe/H] component with a mean of ‑1 dex might correspond to the outskirts of an ancient Galactic spheroid or classical bulge component residing in the central Milky Way. The physical origins of the RRLs in this study need to be verified by kinematical information.

Spatial Evaluation of Heavy Metals Concentrations in the Surface Sediment of Taihu Lake.

PubMed

Niu, Yong; Jiao, Wei; Yu, Hui; Niu, Yuan; Pang, Yong; Xu, Xiangyang; Guo, Xiaochun

2015-11-27

With regard to the size of China's freshwater lakes, Taihu Lake ranks third and it plays an important role in the supply of drinking water, flood prevention, farming and navigation, as well as in the travelling industry. The problem of environmental pollution has attracted widespread attention in recent years. In order to understand the levels, distribution and sources of heavy metals in sediments of Taihu Lake, random selection was carried out to obtain 59 samples of surface sediment from the entire lake and study the concentrations of Pb, Cd, Cu, Zn, Cr and Ni. Toxic units were also calculated to normalize the toxicities caused by various heavy metals. As a result, Cd and Cu in sediment were considered lower than the effect range low (ERL) at all regions where samples were gathered, while Pb and Ni were categorized into ERL-effect range median (ERM) at over 22% of the regions where samples were obtained. Nevertheless, all average concentrations of the samples were below the level of potential effect. According to the findings of this research, significant spatial heterogeneity existed in the above heavy metals. In conclusion, the distribution areas of heavy metals with higher concentrations were mainly the north bays, namely Zhushan Bay, Meiliang Bay as well as Gonghu Bay. The distribution areas of Cu, Zn, Cr and Ni with higher concentration also included the lake's central region, whereas the uniform distribution areas of those with lower concentrations were the lake's southeast region. In addition, it was most probable that the spatial distribution of heavy metals was determined by river inputs, whereas atmospheric precipitation caused by urban and traffic contamination also exerted considerable effects on the higher concentrations of Pb and Cd. Through evaluating the total amount of toxic units (ΣTU), it was found that higher toxicity existed primarily in the north bays and central region of the lake. If the heavy metals were sorted by the reduction of mean heavy metal toxic units in Taihu Lake in descending order, it would be Pb, Cr, Ni, Cd, Zn and Cu. Generally speaking, these result of analyses are conducive to alleviating the contamination of heavy metals in Taihu Lake.

Airfall of metals from the Palmerton, PA, zinc plant: Distribution and preservation

NASA Astrophysics Data System (ADS)

Sahagian, D.; Peters, S.; Yasko, G.; Lofaro, J.; Burrows, J.; Blake, J.; Smith, K.

2008-12-01

The stacks of the NJ Zinc Co. created airfall deposits throughout the 20th century in the region surrounding Palmerton, PA. The deposition of zinc, cadmium, lead, and arsenic, led to the destruction of a forest ecosystem along the neighboring Kittatinny Ridge and metals contamination in the town and surrounding area. Although the smelter was closed in the 1980's, concerns linger over whether the soil still remains contaminated with elevated levels of smelter-derived metals. The present concentration and distribution of metals in the soil is the result of the initial (20th century) concentration an the processes of leaching, erosion, and biological uptake and dispersal that have proceeded since the smelter was shut down. At the site of the smelter, analyses of samples from 141 shallow soil pits had zinc concentrations up to 95 mg/kg, with a mean value of 14 mg/kg. Lead concentrations in the same soils had concentrations ranging up to 250 mg/kg, with a mean value of 72 mg/kg. We have now sampled a suite of soils from the "far field" region up to 25 km away from the smelter site to determine the spatial extent of remaining metals contamination. We dug soil pits and collected samples from the shallow O-horizon, the underlying A horizon (typically 2-4 cm depth), and the B-horizon at about 20-30 cm to determine not only the geographic distributions of metals, but also the depths at which these different metals are now found in the subsurface. The far field data distribution can now provide information for local communities regarding soils chemistry and help to guide land use practices within residential, business, and agricultural properties throughout the region. Concerns regarding contamination from metals airfall have played a role in depressing local economies, further exacerbating and perpetuating the economic impact of the closure of the smelter itself. Our analyses can potentially ameliorate such concerns by providing the actual distribution and concentrations of metals in the region surrounding Palmerton.

Distribution of trace metals in anchialine caves of Adriatic Sea, Croatia

NASA Astrophysics Data System (ADS)

Cuculić, Vlado; Cukrov, Neven; Kwokal, Željko; Mlakar, Marina

2011-11-01

This study presents results of the first comprehensive research on ecotoxic trace metals (Cd, Pb, Cu and Zn) in aquatic anchialine ecosystems. Data show the influence of hydrological and geological characteristics on trace metals in highly stratified anchialine water columns. Distribution of Cd, Pb, Cu and Zn in two anchialine water bodies, Bjejajka Cave and Lenga Pit in the Mljet National park, Croatia were investigated seasonally from 2006 to 2010. Behaviour and concentrations of dissolved and total trace metals in stratified water columns and metal contents in sediment, carbonate rocks and soil of the anchialine environment were evaluated. Trace metals and dissolved organic carbon (DOC) concentrations in both anchialine water columns were significantly elevated compared to adjacent seawater. Zn and Cu concentrations were the highest in the Lenga Pit water column and sediment. Elevated concentrations of Zn, Pb and Cu in Bjejajka Cave were mainly terrigenous. Significantly elevated concentrations of cadmium (up to 0.3 μg L -1) were found in the water column of Bjejajka cave, almost two orders of magnitude higher compared to nearby surface seawater. Laboratory analysis revealed that bat guano was the major source of cadmium in Bjejajka Cave. Cadmium levels in Lenga Pit, which lacks accumulations of bat guano, were 20-fold lower. Moreover, low metal amounts in carbonate rocks in both caves, combined with mineral leaching experiments, revealed that carbonates play a minor role as a source of metals in both water columns. We observed two types of vertical distribution pattern of cadmium in the stratified anchialine Bjejajka Cave water column. At lower salinities, non-conservative behaviour was characterized by strong desorption and enrichment of dissolved phase while, at salinities above 20, Cd behaved conservatively and its dissolved concentration decreased. Conservative behaviour of Cu, Pb, Zn and DOC was observed throughout the water column. After heavy rains, Cd showed reduced concentration and uniform vertical distribution, suggesting a non-terrestrial origin. Under the same conditions, concentrations of total and dissolved Pb, Cu, Zn and DOC were significantly elevated. Variations of trace metal vertical distributions in anchialine water columns were caused by large inputs of fresh water (extraordinary rainy events), and were not influenced by seasonal changes.

Characteristics of trace metals in traffic-derived particles in Hsuehshan Tunnel, Taiwan: size distribution, potential source, and fingerprinting metal ratio

NASA Astrophysics Data System (ADS)

Lin, Y.-C.; Tsai, C.-J.; Wu, Y.-C.; Zhang, R.; Chi, K.-H.; Huang, Y.-T.; Lin, S.-H.; Hsu, S.-C.

2015-04-01

Traffic emissions are a significant source of airborne particulate matter (PM) in ambient environments. These emissions contain an abundance of toxic metals and thus pose adverse effects on human health. Size-fractionated aerosol samples were collected from May to September 2013 by using micro-orifice uniform deposited impactors (MOUDIs). Sample collection was conducted simultaneously at the inlet and outlet sites of Hsuehshan Tunnel in northern Taiwan, which is the second-longest freeway tunnel (12.9 km) in Asia. This endeavor aims to characterize the chemical constituents and size distributions, as well as fingerprinting ratios of particulate metals emitted by vehicle fleets. A total of 36 metals in size-resolved aerosols were determined through inductively coupled plasma mass spectrometry. Three major groups - namely, tailpipe emissions (Zn, Pb, and V in fine mode), wear debris (Cu, Cd, Fe, Ga, Mn, Mo, Sb, and Sn), and resuspended dust (Ca, Mg, K, and Rb) - of airborne PM metals were categorized on the basis of the results of enrichment factor, correlation matrix, and principal component analysis. Size distributions of wear-originated metals resembled the pattern of crustal elements, which were predominated by super-micron particulates (PM1-10). By contrast, tailpipe exhaust elements such as Zn, Pb, and V were distributed mainly in submicron particles. By employing Cu as a tracer of wear abrasion, several inter-metal ratios - including Fe / Cu (14), Ba / Cu (1.05), Sb / Cu (0.16), Sn / Cu (0.10), and Ga / Cu (0.03) - served as fingerprints for wear debris. However, the data set collected in this work is useful for further studies on traffic emission inventory and human health effects of traffic-related PM.

Impacts from Land Use Pattern on Spatial Distribution of Cultivated Soil Heavy Metal Pollution in Typical Rural-Urban Fringe of Northeast China

PubMed Central

Li, Wenbo; Wang, Dongyan; Wang, Qing; Liu, Shuhan; Zhu, Yuanli; Wu, Wenjun

2017-01-01

Under rapid urban sprawl in Northeast China, land conversions are not only encroaching on the quantity of cultivated lands, but also posing a great threat to black soil conservation and food security. This study’s aim is to explore the spatial relationship between comprehensive cultivated soil heavy metal pollution and peri-urban land use patterns in the black soil region. We applied spatial lag regression to analyze the relationship between PLI (pollution load index) and influencing factors of land use by taking suburban cultivated land of Changchun Kuancheng District as an empirical case. The results indicate the following: (1) Similar spatial distribution characteristics are detected between Pb, Cu, and Zn, between Cr and Ni, and between Hg and Cd. The Yitong River catchment in the central region, and the residential community of Lanjia County in the west, are the main hotspots for eight heavy metals and PLI. Beihu Wetland Park, with a larger-area distribution of ecological land in the southeast, has low level for both heavy metal concentrations and PLI values. Spatial distribution characteristics of cultivated heavy metals are related to types of surrounding land use and industry; (2) Spatial lag regression has a better fit for PLI than the ordinary least squares regression. The regression results indicate the inverse relationship between heavy metal pollution degree and distance from long-standing residential land and surface water. Following rapid urban land expansion and a longer accumulation period, residential land sprawl is going to threaten cultivated land with heavy metal pollution in the suburban black soil region, and cultivated land irrigated with urban river water in the suburbs will have a higher tendency for heavy metal pollution. PMID:28327541

Influence of heavy metals on the formation and the distribution behavior of PAH and PCDD/F during simulated fires.

PubMed

Wobst, M; Wichmann, H; Bahadir, M

2003-04-01

Combustion experiments were performed with an artificial fire load (polystyrene and quartz powder) in a laboratory scale incinerator in the presence of gaseous HCl to simulate accidental fire conditions. The aim of this investigation was to trace back the alterations of the formation and the distribution behavior of PAH and PCDD/PCDF to the presence of CuO or a mixture of metal oxides (CdO, CuO, Fe(2)O(3), PbO, MoO(3), ZnO). The total amount of the 16 PAH target compounds was reduced by the factor of 5-9 when the mixture of metal oxides was present rather than merely CuO. PAH patterns as well as their distribution behavior were significantly influenced by these oxides. In general, transportation inside the installation was enhanced for most of the 16 analyzed PAH. Only fluorene and dibenzo[a,h]anthracene were transported to a smaller extent. In contrast to PAH, total concentrations of PCDD were increased by factor 9 and of PCDF by factor 10, respectively, when CuO was present. Adding the mixture of metal oxides resulted in an increase of PCDD by factor 14 and of PCDF by factor 7. CuO and the mixture of metal oxides had a different influence on the PCDD/F homologue patterns. For instance, the HxCDF to OCDF ratio after incineration without any metal oxide was 1 to 6, whereas addition of CuO or the mixture of the metal oxides shifted the HxCDF to OCDF ratios towards 1 to 40 or 1 to 17, respectively. Combustion along with CuO increased transportation of higher chlorinated PCDF congeners, whereas the mixture of the metal oxides caused a strong decrease of PCDF distribution throughout the system.

In Situ, High-Resolution Profiles of Labile Metals in Sediments of Lake Taihu

PubMed Central

Wang, Dan; Gong, Mengdan; Li, Yangyang; Xu, Lv; Wang, Yan; Jing, Rui; Ding, Shiming; Zhang, Chaosheng

2016-01-01

Characterizing labile metal distribution and biogeochemical behavior in sediments is crucial for understanding their contamination characteristics in lakes, for which in situ, high-resolution data is scare. The diffusive gradient in thin films (DGT) technique was used in-situ at five sites across Lake Taihu in the Yangtze River delta in China to characterize the distribution and mobility of eight labile metals (Fe, Mn, Zn, Ni, Cu, Pb, Co and Cd) in sediments at a 3 mm spatial resolution. The results showed a great spatial heterogeneity in the distributions of redox-sensitive labile Fe, Mn and Co in sediments, while other metals had much less marked structure, except for downward decreases of labile Pb, Ni, Zn and Cu in the surface sediment layers. Similar distributions were found between labile Mn and Co and among labile Ni, Cu and Zn, reflecting a close link between their geochemical behaviors. The relative mobility, defined as the ratio of metals accumulated by DGT to the total contents in a volume of sediments with a thickness of 10 mm close to the surface of DGT probe, was the greatest for Mn and Cd, followed by Zn, Ni, Cu and Co, while Pb and Fe had the lowest mobility; this order generally agreed with that defined by the modified BCR approach. Further analyses showed that the downward increases of pH values in surface sediment layer may decrease the lability of Pb, Ni, Zn and Cu as detected by DGT, while the remobilization of redox-insensitive metals in deep sediment layer may relate to Mn cycling through sulphide coprecipitation, reflected by several corresponding minima between these metals and Mn. These in situ data provided the possibility for a deep insight into the mechanisms involved in the remobilization of metals in freshwater sediments. PMID:27608033

Impacts from Land Use Pattern on Spatial Distribution of Cultivated Soil Heavy Metal Pollution in Typical Rural-Urban Fringe of Northeast China.

PubMed

Li, Wenbo; Wang, Dongyan; Wang, Qing; Liu, Shuhan; Zhu, Yuanli; Wu, Wenjun

2017-03-22

Under rapid urban sprawl in Northeast China, land conversions are not only encroaching on the quantity of cultivated lands, but also posing a great threat to black soil conservation and food security. This study's aim is to explore the spatial relationship between comprehensive cultivated soil heavy metal pollution and peri-urban land use patterns in the black soil region. We applied spatial lag regression to analyze the relationship between PLI (pollution load index) and influencing factors of land use by taking suburban cultivated land of Changchun Kuancheng District as an empirical case. The results indicate the following: (1) Similar spatial distribution characteristics are detected between Pb, Cu, and Zn, between Cr and Ni, and between Hg and Cd. The Yitong River catchment in the central region, and the residential community of Lanjia County in the west, are the main hotspots for eight heavy metals and PLI. Beihu Wetland Park, with a larger-area distribution of ecological land in the southeast, has low level for both heavy metal concentrations and PLI values. Spatial distribution characteristics of cultivated heavy metals are related to types of surrounding land use and industry; (2) Spatial lag regression has a better fit for PLI than the ordinary least squares regression. The regression results indicate the inverse relationship between heavy metal pollution degree and distance from long-standing residential land and surface water. Following rapid urban land expansion and a longer accumulation period, residential land sprawl is going to threaten cultivated land with heavy metal pollution in the suburban black soil region, and cultivated land irrigated with urban river water in the suburbs will have a higher tendency for heavy metal pollution.

Modeling pore corrosion in normally open gold- plated copper connectors.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Battaile, Corbett Chandler; Moffat, Harry K.; Sun, Amy Cha-Tien

2008-09-01

The goal of this study is to model the electrical response of gold plated copper electrical contacts exposed to a mixed flowing gas stream consisting of air containing 10 ppb H{sub 2}S at 30 C and a relative humidity of 70%. This environment accelerates the attack normally observed in a light industrial environment (essentially a simplified version of the Battelle Class 2 environment). Corrosion rates were quantified by measuring the corrosion site density, size distribution, and the macroscopic electrical resistance of the aged surface as a function of exposure time. A pore corrosion numerical model was used to predict bothmore » the growth of copper sulfide corrosion product which blooms through defects in the gold layer and the resulting electrical contact resistance of the aged surface. Assumptions about the distribution of defects in the noble metal plating and the mechanism for how corrosion blooms affect electrical contact resistance were needed to complete the numerical model. Comparisons are made to the experimentally observed number density of corrosion sites, the size distribution of corrosion product blooms, and the cumulative probability distribution of the electrical contact resistance. Experimentally, the bloom site density increases as a function of time, whereas the bloom size distribution remains relatively independent of time. These two effects are included in the numerical model by adding a corrosion initiation probability proportional to the surface area along with a probability for bloom-growth extinction proportional to the corrosion product bloom volume. The cumulative probability distribution of electrical resistance becomes skewed as exposure time increases. While the electrical contact resistance increases as a function of time for a fraction of the bloom population, the median value remains relatively unchanged. In order to model this behavior, the resistance calculated for large blooms has been weighted more heavily.« less

Heavy metal content in tea soils and their distribution in different parts of tea plants, Camellia sinensis (L). O. Kuntze.

PubMed

Seenivasan, Subbiah; Anderson, Todd Alan; Muraleedharan, Narayanannair

2016-07-01

Soils contaminated with heavy metals may pose a threat to environment and human health if metals enter the food chain over and above threshold levels. In general, there is a lack of information on the presence of heavy metals in tea [Camellia sinensis (L). O. Kuntze] plants and the soils in which they are grown. Therefore, an attempt was made to establish a database on the important heavy metals: cadmium (Cd), chromium (Cr), nickel (Ni), and lead (Pb). For an initial survey on heavy metals, soil samples were collected randomly from tea-growing areas of Tamil Nadu, Kerala, and Karnataka, India. Parallel studies were conducted in the greenhouse on uptake of Pb, Cd, and Ni from soils supplemented with these metals at different concentrations. Finally, metal distribution in the tea plants under field conditions was also documented to assess the accumulation potential and critical limit of uptake by plants.

Non-equilibrium induction of tin in germanium: towards direct bandgap Ge1−xSnx nanowires

PubMed Central

Biswas, Subhajit; Doherty, Jessica; Saladukha, Dzianis; Ramasse, Quentin; Majumdar, Dipanwita; Upmanyu, Moneesh; Singha, Achintya; Ochalski, Tomasz; Morris, Michael A.; Holmes, Justin D.

2016-01-01

The development of non-equilibrium group IV nanoscale alloys is critical to achieving new functionalities, such as the formation of a direct bandgap in a conventional indirect bandgap elemental semiconductor. Here, we describe the fabrication of uniform diameter, direct bandgap Ge1−xSnx alloy nanowires, with a Sn incorporation up to 9.2 at.%, far in excess of the equilibrium solubility of Sn in bulk Ge, through a conventional catalytic bottom-up growth paradigm using noble metal and metal alloy catalysts. Metal alloy catalysts permitted a greater inclusion of Sn in Ge nanowires compared with conventional Au catalysts, when used during vapour–liquid–solid growth. The addition of an annealing step close to the Ge-Sn eutectic temperature (230 °C) during cool-down, further facilitated the excessive dissolution of Sn in the nanowires. Sn was distributed throughout the Ge nanowire lattice with no metallic Sn segregation or precipitation at the surface or within the bulk of the nanowires. The non-equilibrium incorporation of Sn into the Ge nanowires can be understood in terms of a kinetic trapping model for impurity incorporation at the triple-phase boundary during growth. PMID:27095012

Non-equilibrium induction of tin in germanium: towards direct bandgap Ge1-xSnx nanowires

NASA Astrophysics Data System (ADS)

Biswas, Subhajit; Doherty, Jessica; Saladukha, Dzianis; Ramasse, Quentin; Majumdar, Dipanwita; Upmanyu, Moneesh; Singha, Achintya; Ochalski, Tomasz; Morris, Michael A.; Holmes, Justin D.

2016-04-01

The development of non-equilibrium group IV nanoscale alloys is critical to achieving new functionalities, such as the formation of a direct bandgap in a conventional indirect bandgap elemental semiconductor. Here, we describe the fabrication of uniform diameter, direct bandgap Ge1-xSnx alloy nanowires, with a Sn incorporation up to 9.2 at.%, far in excess of the equilibrium solubility of Sn in bulk Ge, through a conventional catalytic bottom-up growth paradigm using noble metal and metal alloy catalysts. Metal alloy catalysts permitted a greater inclusion of Sn in Ge nanowires compared with conventional Au catalysts, when used during vapour-liquid-solid growth. The addition of an annealing step close to the Ge-Sn eutectic temperature (230 °C) during cool-down, further facilitated the excessive dissolution of Sn in the nanowires. Sn was distributed throughout the Ge nanowire lattice with no metallic Sn segregation or precipitation at the surface or within the bulk of the nanowires. The non-equilibrium incorporation of Sn into the Ge nanowires can be understood in terms of a kinetic trapping model for impurity incorporation at the triple-phase boundary during growth.

DEPENDENCE OF THE Sr-TO-Ba AND Sr-TO-Eu RATIO ON THE NUCLEAR EQUATION OF STATE IN METAL-POOR HALO STARS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Famiano, M. A.; Kajino, T.; Aoki, W.

A model is proposed in which the dependence on the equation of state (EOS) of the scatter of [Sr/Ba] in metal-poor stars is studied. Light r-process element enrichment in these stars has been explained via a truncated r-process, or “tr-process.” The truncation of the r-process from a generic core-collapse event followed by a collapse into an accretion-induced black hole is examined in the framework of a galactic chemical evolution model. The constraints on this model imposed by observations of extremely metal-poor stars are explained, and the upper limits in the [Sr/Ba] distributions are found to be related to the nuclearmore » EOS in a collapse scenario. The scatter in [Sr/Ba] and [Sr/Eu] as a function of metallicity has been found to be consistent with turbulent ejection in core-collapse supernovae. Adaptations of this model are evaluated to account for the scatter in isotopic observables. This is done by assuming mixing in ejecta in a supernova event. Stiff EOS are eliminated by this model.« less

Grain size distribution of road-deposited sediment and its contribution to heavy metal pollution in urban runoff in Beijing, China.

PubMed

Zhao, Hongtao; Li, Xuyong; Wang, Xiaomei; Tian, Di

2010-11-15

Pollutant washoff from road-deposited sediment (RDS) is an increasing problem associated with the rapid urbanization of China that results in urban non-point source pollution. Here, we analyzed the RDS grain size distribution and its potential impact on heavy metal pollution in urban runoff from impervious surfaces of urban villages, colleges and residences, and main traffic roads in the Haidian District, Beijing, China. RDS with smaller grain size had a higher metal concentration. Specifically, particles with the smallest grain size (<44 μm) had the highest metal concentration in most areas (unit: mg/kg): Cd 0.28-1.31, Cr 57.9-154, Cu 68.1-142, Ni 25.8-78.0, Pb 73.1-222 and Zn 264-664. Particles with smaller grain size (<250 μm) contributed more than 80% of the total metal loads in RDS washoff, while suspended solids with a grain size <44 μm in runoff water accounted for greater than 70% of the metal mass in the total suspended solids (TSS). The heavy metal content in the TSS was 2.21-6.52% of that in the RDS. These findings will facilitate our understanding of the importance of RDS grain size distribution in heavy metal pollution caused by urban storm runoff. Copyright © 2010 Elsevier B.V. All rights reserved.

Assessment of spatial distribution of soil heavy metals using ANN-GA, MSLR and satellite imagery.

PubMed

Naderi, Arman; Delavar, Mohammad Amir; Kaboudin, Babak; Askari, Mohammad Sadegh

2017-05-01

This study aims to assess and compare heavy metal distribution models developed using stepwise multiple linear regression (MSLR) and neural network-genetic algorithm model (ANN-GA) based on satellite imagery. The source identification of heavy metals was also explored using local Moran index. Soil samples (n = 300) were collected based on a grid and pH, organic matter, clay, iron oxide contents cadmium (Cd), lead (Pb) and zinc (Zn) concentrations were determined for each sample. Visible/near-infrared reflectance (VNIR) within the electromagnetic ranges of satellite imagery was applied to estimate heavy metal concentrations in the soil using MSLR and ANN-GA models. The models were evaluated and ANN-GA model demonstrated higher accuracy, and the autocorrelation results showed higher significant clusters of heavy metals around the industrial zone. The higher concentration of Cd, Pb and Zn was noted under industrial lands and irrigation farming in comparison to barren and dryland farming. Accumulation of industrial wastes in roads and streams was identified as main sources of pollution, and the concentration of soil heavy metals was reduced by increasing the distance from these sources. In comparison to MLSR, ANN-GA provided a more accurate indirect assessment of heavy metal concentrations in highly polluted soils. The clustering analysis provided reliable information about the spatial distribution of soil heavy metals and their sources.

Effects of Co-Processing Sewage Sludge in the Cement Kiln on PAHs, Heavy Metals Emissions and the Surrounding Environment.

PubMed

Lv, Dong; Zhu, Tianle; Liu, Runwei; Li, Xinghua; Zhao, Yuan; Sun, Ye; Wang, Hongmei; Zhang, Fan; Zhao, Qinglin

2018-04-08

To understand the effects of co-processing sewage sludge in the cement kiln on non-criterion pollutants emissions and its surrounding environment, the flue gas from a cement kiln stack, ambient air and soil from the background/downwind sites were collected in the cement plant. Polycyclic aromatic hydrocarbons (PAHs) and heavy metals of the samples were analyzed. The results show that PAHs in flue gas mainly exist in the gas phase and the low molecular weight PAHs are the predominant congener. The co-processing sewage sludge results in the increase in PAHs and heavy metals emissions, especially high molecular weight PAHs and low-volatile heavy metals such as Cd and Pb in the particle phase, while it does not change their compositions and distribution patterns significantly. The concentrations and their distributions of the PAHs and heavy metals between the emissions and ambient air have a positive correlation and the co-processing sewage sludge results in the increase of PAHs and heavy metals concentrations in the ambient air. The PAHs concentration level and their distribution in soil are proportional to those in the particle phase of flue gas, and the co-processing sewage sludge can accelerate the accumulation of the PAHs and heavy metals in the surrounding soil, especially high/middle molecular weight PAHs and low-volatile heavy metals.

Article and method of forming an article

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lacy, Benjamin Paul; Kottilingam, Srikanth Chandrudu; Dutta, Sandip

Provided are an article and a method of forming an article. The method includes providing a metallic powder, heating the metallic powder to a temperature sufficient to joint at least a portion of the metallic powder to form an initial layer, sequentially forming additional layers in a build direction by providing a distributed layer of the metallic powder over the initial layer and heating the distributed layer of the metallic powder, repeating the steps of sequentially forming the additional layers in the build direction to form a portion of the article having a hollow space formed in the build direction,more » and forming an overhang feature extending into the hollow space. The article includes an article formed by the method described herein.« less

Fine mist versus large droplets in phase separated manganites

NASA Astrophysics Data System (ADS)

Khomskii, D.; Khomskii, L.

2003-02-01

The properties of phase-separated systems, e.g., manganites close to a first-order phase transition between charge-ordered insulator and ferromagnetic metal, are usually described by percolation picture. We argue that the correlated occupation of metallic sites leads to the preferential formation of larger metallic clusters, and their size distribution depends on the thermal history. This can explain several puzzling effects in manganites, such as the often observed inverse, or “overshot” hysteresis, and the recently discovered thermal cycling effect. Thus in treating this and similar systems in percolation picture, not only the total concentration of metallic phase, but also the distribution of metallic clusters by shape and size may significantly influence the properties of the system and has to be taken into account.

Atomic layer deposition to prevent metal transfer from implants: An X-ray fluorescence study

NASA Astrophysics Data System (ADS)

Bilo, Fabjola; Borgese, Laura; Prost, Josef; Rauwolf, Mirjam; Turyanskaya, Anna; Wobrauschek, Peter; Kregsamer, Peter; Streli, Christina; Pazzaglia, Ugo; Depero, Laura E.

2015-12-01

We show that Atomic Layer Deposition is a suitable coating technique to prevent metal diffusion from medical implants. The metal distribution in animal bone tissue with inserted bare and coated Co-Cr alloys was evaluated by means of micro X-ray fluorescence mapping. In the uncoated implant, the migration of Co and Cr particles from the bare alloy in the biological tissues is observed just after one month and the number of particles significantly increases after two months. In contrast, no metal diffusion was detected in the implant coated with TiO2. Instead, a gradient distribution of the metals was found, from the alloy surface going into the tissue. No significant change was detected after two months of aging. As expected, the thicker is the TiO2 layer, the lower is the metal migration.

A two-step leaching method designed based on chemical fraction distribution of the heavy metals for selective leaching of Cd, Zn, Cu, and Pb from metallurgical sludge.

PubMed

Wang, Fen; Yu, Junxia; Xiong, Wanli; Xu, Yuanlai; Chi, Ru-An

2018-01-01

For selective leaching and highly effective recovery of heavy metals from a metallurgical sludge, a two-step leaching method was designed based on the distribution analysis of the chemical fractions of the loaded heavy metal. Hydrochloric acid (HCl) was used as a leaching agent in the first step to leach the relatively labile heavy metals and then ethylenediamine tetraacetic acid (EDTA) was applied to leach the residual metals according to their different fractional distribution. Using the two-step leaching method, 82.89% of Cd, 55.73% of Zn, 10.85% of Cu, and 0.25% of Pb were leached in the first step by 0.7 M HCl at a contact time of 240 min, and the leaching efficiencies for Cd, Zn, Cu, and Pb were elevated up to 99.76, 91.41, 71.85, and 94.06%, by subsequent treatment with 0.2 M EDTA at 480 min, respectively. Furthermore, HCl leaching induced fractional redistribution, which might increase the mobility of the remaining metals and then facilitate the following metal removal by EDTA. The facilitation was further confirmed by the comparison to the one-step leaching method with single HCl or single EDTA, respectively. These results suggested that the designed two-step leaching method by HCl and EDTA could be used for selective leaching and effective recovery of heavy metals from the metallurgical sludge or heavy metal-contaminated solid media.

Effect of methods of preparation on distribution of heavy metals in different size fractions of municipal solid waste composts.

PubMed

Saha, J K; Panwar, N R; Coumar, M Vassanda

2013-11-01

The present study compares the distribution and nature of heavy metals in composts from 12 cities of India, prepared from different types of processed urban solid wastes, namely mixed wastes (MWC), partially segregated wastes (PSWC), and segregated bio-wastes (BWC). Compost samples were physically fractionated by wet sieving, followed by extraction of heavy metals by dilute HCl and NaOH. Bigger particles (>0.5 mm) constituted the major fraction in all three types of composts and had a relatively lower concentration of organic matter and heavy metals, the effect being more pronounced in MWC and PSWC in which a significant portion of the heavy metals was distributed in finer size fractions. Cd, Ni, Pb, and Zn were extracted to a greater extent by acid than by alkali, the difference being greater in MWC, which contained a higher amount of mineral matter. In contrast, Cu and Cr were extracted to a greater extent by dilute alkali, particularly from BWC containing a higher amount of organic matter. Water-soluble heavy metals were generally related to the water-soluble C or total C content as well as to pH, rather than to their total contents. This study concludes that wet sieving with dilute acid can effectively reduce heavy metal load in MWC and PSWC.

Comparison Study on the Estimation of the Spatial Distribution of Regional Soil Metal(loid)s Pollution Based on Kriging Interpolation and BP Neural Network

PubMed Central

Zhou, Shenglu; Su, Quanlong; Yi, Haomin

2017-01-01

Soil pollution by metal(loid)s resulting from rapid economic development is a major concern. Accurately estimating the spatial distribution of soil metal(loid) pollution has great significance in preventing and controlling soil pollution. In this study, 126 topsoil samples were collected in Kunshan City and the geo-accumulation index was selected as a pollution index. We used Kriging interpolation and BP neural network methods to estimate the spatial distribution of arsenic (As) and cadmium (Cd) pollution in the study area. Additionally, we introduced a cross-validation method to measure the errors of the estimation results by the two interpolation methods and discussed the accuracy of the information contained in the estimation results. The conclusions are as follows: data distribution characteristics, spatial variability, and mean square errors (MSE) of the different methods showed large differences. Estimation results from BP neural network models have a higher accuracy, the MSE of As and Cd are 0.0661 and 0.1743, respectively. However, the interpolation results show significant skewed distribution, and spatial autocorrelation is strong. Using Kriging interpolation, the MSE of As and Cd are 0.0804 and 0.2983, respectively. The estimation results have poorer accuracy. Combining the two methods can improve the accuracy of the Kriging interpolation and more comprehensively represent the spatial distribution characteristics of metal(loid)s in regional soil. The study may provide a scientific basis and technical support for the regulation of soil metal(loid) pollution. PMID:29278363

Microbial community composition and functions are resilient to metal pollution along two forest soil gradients.

PubMed

Azarbad, Hamed; Niklińska, Maria; Laskowski, Ryszard; van Straalen, Nico M; van Gestel, Cornelis A M; Zhou, Jizhong; He, Zhili; Wen, Chongqing; Röling, Wilfred F M

2015-01-01

Despite the global importance of forests, it is virtually unknown how their soil microbial communities adapt at the phylogenetic and functional level to long-term metal pollution. Studying 12 sites located along two distinct gradients of metal pollution in Southern Poland revealed that functional potential and diversity (assessed using GeoChip 4.2) were highly similar across the gradients despite drastically diverging metal contamination levels. Metal pollution level did, however, significantly impact bacterial community structure (as shown by MiSeq Illumina sequencing of 16S rRNA genes), but not bacterial taxon richness and community composition. Metal pollution caused changes in the relative abundance of specific bacterial taxa, including Acidobacteria, Actinobacteria, Bacteroidetes, Chloroflexi, Firmicutes, Planctomycetes and Proteobacteria. Also, a group of metal-resistance genes showed significant correlations with metal concentrations in soil. Our study showed that microbial communities are resilient to metal pollution; despite differences in community structure, no clear impact of metal pollution levels on overall functional diversity was observed. While screens of phylogenetic marker genes, such as 16S rRNA genes, provide only limited insight into resilience mechanisms, analysis of specific functional genes, e.g. involved in metal resistance, appears to be a more promising strategy. © FEMS 2014. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

General protocol for the synthesis of functionalized magnetic nanoparticles for magnetic resonance imaging from protected metal-organic precursors.

PubMed

Hu, He; Zhang, Chongkun; An, Lu; Yu, Yanrong; Yang, Hong; Sun, Jin; Wu, Huixia; Yang, Shiping

2014-06-02

The development of magnetic nanoparticles (MNPs) with functional groups has been intensively pursued in recent years. Herein, a simple, versatile, and cost-effective strategy to synthesize water-soluble and amino-functionalized MNPs, based on the thermal decomposition of phthalimide-protected metal-organic precursors followed by deprotection, was developed. The resulting amino-functionalized Fe3O4, MnFe2O4, and Mn3O4 MNPs with particle sizes of about 14.3, 7.5, and 6.6 nm, respectively, had narrow size distributions and good dispersibility in water. These MNPs also exhibited high magnetism and relaxivities of r2 = 107.25 mM(-1)  s(-1) for Fe3O4, r2 = 245.75 mM(-1)  s(-1) for MnFe2O4, and r1 = 2.74 mM(-1)  s(-1) for Mn3O4. The amino-functionalized MNPs were further conjugated with a fluorescent dye (rhodamine B) and a targeting ligand (folic acid: FA) and used as multifunctional probes. Magnetic resonance imaging and flow-cytometric studies showed that these probes could specifically target cancer cells overexpressing FA receptors. This new protocol opens a new way for the synthesis and design of water-soluble and amino-functionalized MNPs by an easy and versatile route. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Distribution and extent of heavy metal accumulation in Song Sparrows (Melospiza melodia), upper Santa Cruz River watershed, southern Arizona, 2011-12

USGS Publications Warehouse

Lester, Michael B.; van Riper, Charles

2014-01-01

Riparian ecosystems in arid environments provide critical habitat for breeding, migratory, and wintering birds, yet are often at risk of contamination by heavy metals. Birds and other animals living in contaminated areas are susceptible to adverse health effects as a result of long-term exposure and bioaccumulation of heavy metals. We investigated the distribution and cascading extent of heavy metal accumulation in Song Sparrows (Melospiza melodia) in Arizona’s upper Santa Cruz River watershed. This study had three goals: (1) quantify the degree of heavy metal accumulation in sparrows and determine the distributional patterns among study sites, (2) compare concentrations of metals found in this study to those found in studies performed prior to the 2009 international wastewater treatment plant upgrade, and (3) assess sparrow condition among sites with differing potential sources of contamination exposure. We examined six study sites that reflected different potential sources of contamination. Hematocrit values, body mass residuals, and leukocyte counts were used to assess sparrow condition. Cadmium, copper, mercury, nickel, and selenium exceeded background concentrations at some sites, but generally were lower than or similar to concentrations found in earlier studies performed prior to the 2009 international wastewater treatment plant upgrade. Concentrations were higher in recaptured birds in 2012 than in 2011 for 7 metals in feathers and 14 metals in blood, suggesting possible bioaccumulation. We found no cascading effects as a result of heavy metal exposure, but did find that heavy metal concentrations were reduced following the 2009 international wastewater treatment plant upgrade.

[Quantitative Evaluation of Metal Artifacts on CT Images on the Basis of Statistics of Extremes].

PubMed

Kitaguchi, Shigetoshi; Imai, Kuniharu; Ueda, Suguru; Hashimoto, Naomi; Hattori, Shouta; Saika, Takahiro; Ono, Yoshifumi

2016-05-01

It is well-known that metal artifacts have a harmful effect on the image quality of computed tomography (CT) images. However, the physical property remains still unknown. In this study, we investigated the relationship between metal artifacts and tube currents using statistics of extremes. A commercially available phantom for measuring CT dose index 160 mm in diameter was prepared and a brass rod 13 mm in diameter was placed at the centerline of the phantom. This phantom was used as a target object to evaluate metal artifacts and was scanned using an area detector CT scanner with various tube currents under a constant tube voltage of 120 kV. Sixty parallel line segments with a length of 100 pixels were placed to cross metal artifacts on CT images and the largest difference between two adjacent CT values in each of 60 CT value profiles of these line segments was employed as a feature variable for measuring metal artifacts; these feature variables were analyzed on the basis of extreme value theory. The CT value variation induced by metal artifacts was statistically characterized by Gumbel distribution, which was one of the extreme value distributions; namely, metal artifacts have the same statistical characteristic as streak artifacts. Therefore, Gumbel evaluation method makes it possible to analyze not only streak artifacts but also metal artifacts. Furthermore, the location parameter in Gumbel distribution was shown to be in inverse proportion to the square root of a tube current. This result suggested that metal artifacts have the same dose dependence as image noises.