Final report for the DOE Metal Hydride Center of Excellence.

Energy Technology Data Exchange (ETDEWEB)

Keller, Jay O.; Klebanoff, Leonard E.

2012-01-01

This report summarizes the R&D activities within the U.S. Department of Energy Metal Hydride Center of Excellence (MHCoE) from March 2005 to June 2010. The purpose of the MHCoE has been to conduct highly collaborative and multi-disciplinary applied R&D to develop new reversible hydrogen storage materials that meet or exceed DOE 2010 and 2015 system goals for hydrogen storage materials. The MHCoE combines three broad areas: mechanisms and modeling (which provide a theoretically driven basis for pursuing new materials), materials development (in which new materials are synthesized and characterized) and system design and engineering (which allow these new materials to be realized as practical automotive hydrogen storage systems). This Final Report summarizes the organization and execution of the 5-year research program to develop practical hydrogen storage materials for light duty vehicles. Major results from the MHCoE are summarized, along with suggestions for future research areas.

Ab initio modeling of interactions between screw dislocations and interstitial solutes in body-centered cubic transition metals

International Nuclear Information System (INIS)

Luthi, Berengere

2017-01-01

In order to improve our understanding of alloy plasticity, it is important to describe at the atomic scale the dislocation-solute interactions and their effect on the dislocation mobility. This work focuses on the body-centered cubic (BCC) transition metals in presence of interstitial solute atoms, in particular the Fe-C system. Using Density Functional Theory (DFT) calculations, the core structure of the screw dislocation of Burgers vector b=1/2<111> was investigated in iron in presence of boron, carbon, nitrogen and oxygen solute atoms, and in BCC metals from group 5 (V, Nb, Ta) and 6 (Mo, W) in presence of carbon solutes. A core reconstruction is evidenced in iron and group 6 metals, along with a strong attractive dislocation-solute interaction energy: the dislocation goes from easy to hard configuration where the solute atoms are at the center of trigonal prisms along the dislocation line. A different behavior is observed in group 5 metals, for which the most stable configuration for the carbon atom is an octahedral site in the vicinity of the dislocation, without any core reconstruction. This group tendency is linked to the structure of mono-carbides. Consequences of the strongly attractive dislocation-solute interactions in Fe(C) were then investigated. First the equilibrium segregation close to the dislocation core was studied using a mean-field model and Monte Carlo simulations. Over a wide temperature range, from 200 to 700 K, a strong segregation is predicted with every other prismatic site occupied by a carbon atom. Then, the mobility of the dislocation in presence of carbon atoms was investigated by modeling the double-kink mechanism with DFT, in relation with experimental data obtained with transmission electron microscopy. The activation energy obtained for this atomic scale mechanism is in good agreement with experimental values for the dynamic strain aging. (author) [fr

Rapid, sensitive, and selective fluorescent DNA detection using iron-based metal-organic framework nanorods: Synergies of the metal center and organic linker.

Science.gov (United States)

Tian, Jingqi; Liu, Qian; Shi, Jinle; Hu, Jianming; Asiri, Abdullah M; Sun, Xuping; He, Yuquan

2015-09-15

Considerable recent attention has been paid to homogeneous fluorescent DNA detection with the use of nanostructures as a universal "quencher", but it still remains a great challenge to develop such nanosensor with the benefits of low cost, high speed, sensitivity, and selectivity. In this work, we report the use of iron-based metal-organic framework nanorods as a high-efficient sensing platform for fluorescent DNA detection. It only takes about 4 min to complete the whole "mix-and-detect" process with a low detection limit of 10 pM and a strong discrimination of single point mutation. Control experiments reveal the remarkable sensing behavior is a consequence of the synergies of the metal center and organic linker. This work elucidates how composition control of nanostructures can significantly impact their sensing properties, enabling new opportunities for the rational design of functional materials for analytical applications. Copyright © 2015 Elsevier B.V. All rights reserved.

Caltech Center for Structural and Amorphous Metals

Science.gov (United States)

2005-05-10

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

Multiscale simulations in face-centered cubic metals: A method coupling quantum mechanics and molecular mechanics

International Nuclear Information System (INIS)

Yu Xiao-Xiang; Wang Chong-Yu

2013-01-01

An effective multiscale simulation which concurrently couples the quantum-mechanical and molecular-mechanical calculations based on the position continuity of atoms is presented. By an iterative procedure, the structure of the dislocation core in face-centered cubic metal is obtained by first-principles calculation and the long-range stress is released by molecular dynamics relaxation. Compared to earlier multiscale methods, the present work couples the long-range strain to the local displacements of the dislocation core in a simpler way with the same accuracy. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Alkyl Chain Growth on a Transition Metal Center: How Does Iron Compare to Ruthenium and Osmium?

Science.gov (United States)

Sainna, Mala A.; de Visser, Sam P.

2015-01-01

Industrial Fischer-Tropsch processes involve the synthesis of hydrocarbons usually on metal surface catalysts. On the other hand, very few homogeneous catalysts are known to perform a Fischer-Tropsch style of reaction. In recent work, we established the catalytic properties of a diruthenium-platinum carbene complex, [(CpRu)2(μ2-H)(μ2-NHCH3)(μ3-C)PtCH3(P(CH3)3)2](CO)n+ with n = 0, 2 and Cp = η5-C5(CH3)5, and showed it to react efficiently by initial hydrogen atom transfer followed by methyl transfer to form an alkyl chain on the Ru-center. In particular, the catalytic efficiency was shown to increase after the addition of two CO molecules. As such, this system could be viewed as a potential homogeneous Fischer-Tropsch catalyst. Herein, we have engineered the catalytic center of the catalyst and investigated the reactivity of trimetal carbene complexes of the same type using iron, ruthenium and osmium at the central metal scaffold. The work shows that the reactivity should increase from diosmium to diruthenium to diiron; however, a non-linear trend is observed due to multiple factors contributing to the individual barrier heights. We identified all individual components of these reaction steps in detail and established the difference in reactivity of the various complexes. PMID:26426009

Alkyl Chain Growth on a Transition Metal Center: How Does Iron Compare to Ruthenium and Osmium?

Directory of Open Access Journals (Sweden)

Mala A. Sainna

2015-09-01

Full Text Available Industrial Fischer-Tropsch processes involve the synthesis of hydrocarbons usually on metal surface catalysts. On the other hand, very few homogeneous catalysts are known to perform a Fischer-Tropsch style of reaction. In recent work, we established the catalytic properties of a diruthenium-platinum carbene complex, [(CpRu2(μ2-H (μ2-NHCH3(μ3-CPtCH3(P(CH332](COn+ with n = 0, 2 and Cp = η5-C5(CH35, and showed it to react efficiently by initial hydrogen atom transfer followed by methyl transfer to form an alkyl chain on the Ru-center. In particular, the catalytic efficiency was shown to increase after the addition of two CO molecules. As such, this system could be viewed as a potential homogeneous Fischer-Tropsch catalyst. Herein, we have engineered the catalytic center of the catalyst and investigated the reactivity of trimetal carbene complexes of the same type using iron, ruthenium and osmium at the central metal scaffold. The work shows that the reactivity should increase from diosmium to diruthenium to diiron; however, a non-linear trend is observed due to multiple factors contributing to the individual barrier heights. We identified all individual components of these reaction steps in detail and established the difference in reactivity of the various complexes.

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

Science.gov (United States)

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

2013-07-17

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

Texture evolution maps for upset deformation of body-centered cubic metals

International Nuclear Information System (INIS)

Lee, Myoung-Gyu; Wang, Jue; Anderson, Peter M.

2007-01-01

Texture evolution maps are used as a tool to visualize texture development during upset deformation in body-centered cubic metals. These maps reveal initial grain orientations that tend toward normal direction (ND)|| versus ND|| . To produce these maps, a finite element analysis (FEA) with a rate-dependent crystal plasticity constitutive relation for tantalum is used. A reference case having zero workpiece/die friction shows that ∼64% of randomly oriented grains rotate toward ND|| and ∼36% rotate toward ND|| . The maps show well-established trends that increasing strain rate sensitivity and decreasing latent-to-self hardening ratio reduce both and percentages, leading to more diffuse textures. Reducing operative slip systems from both {1 1 0}/ and {1 1 2}/ to just {1 1 0}/ has a mixed effect: it increases the percentage but decreases the percentage. Reducing the number of slip systems and increasing the number of FEA integration points per grain strengthen - texture bands that are observed experimentally

Stereodivergent-at-metal synthesis of [60]fullerene hybrids

Energy Technology Data Exchange (ETDEWEB)

Marco-Martinez, Juan; Vidal, Sara; Fernandez, Israel; Filippone, Salvatore [Departamento de Quimica Organica I, Facultad de Ciencias Quimicas, Universidad Complutense de Madrid (Spain); Martin, Nazario [Departamento de Quimica Organica I, Facultad de Ciencias Quimicas, Universidad Complutense de Madrid (Spain); IMDEA-Nanociencia, C/Faraday, Universidad Autonoma de Madrid (Spain)

2017-02-13

Chiral fullerene-metal hybrids with complete control over the four stereogenic centers, including the absolute configuration of the metal atom, have been synthesized for the first time. The stereochemistry of the four chiral centers formed during [60]fullerene functionalization is the result of both the chiral catalysts employed and the diastereoselective addition of the metal complexes used (iridium, rhodium, or ruthenium). DFT calculations underpin the observed configurational stability at the metal center, which does not undergo an epimerization process. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Clean Grain Boundary Found in C14/Body-Center-Cubic Multi-Phase Metal Hydride Alloys

Directory of Open Access Journals (Sweden)

Hao-Ting Shen

2016-06-01

Full Text Available The grain boundaries of three Laves phase-related body-center-cubic (bcc solid-solution, metal hydride (MH alloys with different phase abundances were closely examined by scanning electron microscopy (SEM, transmission electron microscopy (TEM, and more importantly, electron backscatter diffraction (EBSD techniques. By using EBSD, we were able to identify the alignment of the crystallographic orientations of the three major phases in the alloys (C14, bcc, and B2 structures. This finding confirms the presence of crystallographically sharp interfaces between neighboring phases, which is a basic assumption for synergetic effects in a multi-phase MH system.

Control of in-plane texture of body centered cubic metal thin films

International Nuclear Information System (INIS)

Harper, J.M.; Rodbell, K.P.; Colgan, E.G.; Hammond, R.H.

1997-01-01

We show that dramatically different in-plane textures can be produced in body centered cubic (bcc) metal thin films deposited on amorphous substrates under different deposition conditions. The crystallographic orientation distribution of polycrystalline bcc metal thin films on amorphous substrates often has a strong left-angle 110 right-angle fiber texture, indicating that {110} planes are parallel to the substrate plane. When deposition takes place under bombardment by energetic ions or atoms at an off-normal angle of incidence, the left-angle 110 right-angle fiber texture develops an in-plane texture, indicating nonrandom azimuthal orientations of the crystallites. Three orientations in Nb films have been observed under different deposition geometries, in which the energetic particle flux coincides with channeling directions in the bcc crystal structure. In-plane orientations in Mo films have also been obtained in magnetron sputtering systems with various configurations. These are described, and an example is given in which the in-plane orientation of Mo films deposited in two different in-line magnetron sputtering systems differs by a 90 degree rotation. In these two cases, there is a strong left-angle 110 right-angle fiber texture, but the in-plane left-angle 100 right-angle direction is oriented parallel to the scan direction in one system, and perpendicular to the scan direction in the other system. The conditions which produce such different in-plane textures in two apparently similar sputtering systems are discussed. copyright 1997 American Institute of Physics

A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal$-$Organic Framework

Energy Technology Data Exchange (ETDEWEB)

Johnson, Jacob A. [Univ. of Nebraska, Lincoln, NE (United States). Dept. of Chemistry; Petersen, Brenna M. [Univ. of Nebraska, Lincoln, NE (United States). Dept. of Chemistry; Kormos, Attila [Hungarian Academy of Sciences, Budapest (Hungary); Echeverría, Elena [Univ. of Nebraska, Lincoln, NE (United States). Dept. of Physics and Astronomy; Chen, Yu-Sheng [Univ. of Chicago, Argonne, IL (United States). ChemMatCARS, Center for Advanced Radiation Sources; Zhang, Jian [Univ. of Nebraska, Lincoln, NE (United States). Dept. of Chemistry

2017-02-28

Here, we describe a new strategy to generate non-coordinating anions using zwitterionic metal–organic frameworks (MOFs). By assembly of anionic inorganic secondary building blocks (SBUs) ([In(CO₂)₄]^$-$) with cationic metalloporphyrin-based organic linkers, we prepared zwitterionic MOFs in which the complete internal charge separation effectively prevents the potential binding of the counteranion to the cationic metal center. We demonstrate the enhanced Lewis acidity of Mn^III- and Fe^III-porphyrins in the zwitterionic MOFs in three representative electrocyclization reactions: [2 + 1] cycloisomerization of enynes, [3 + 2] cycloaddition of aziridines and alkenes, and [4 + 2] hetero-Diels–Alder cycloaddition of aldehydes with dienes. Lastly, this work paves a new way to design functional MOFs for tunable chemical catalysis.

High Re-Operation Rates Using Conserve Metal-On-Metal Total Hip Articulations

DEFF Research Database (Denmark)

Mogensen, S L; Jakobsen, Thomas; Christoffersen, Hardy

2016-01-01

INTRODUCTION: Metal-on-metal hip articulations have been intensely debated after reports of adverse reactions and high failure rates. The aim of this study was to retrospectively evaluate the implant of a metal-on.metal total hip articulation (MOM THA) from a single manufacture in a two-center st......INTRODUCTION: Metal-on-metal hip articulations have been intensely debated after reports of adverse reactions and high failure rates. The aim of this study was to retrospectively evaluate the implant of a metal-on.metal total hip articulation (MOM THA) from a single manufacture in a two...

Explosion metal welding

International Nuclear Information System (INIS)

Popoff, A.A.

1976-01-01

Process parameters pertaining to welding similar and dissimilar metals using explosives are reviewed. The discussion centers on the interrelationship of physical parameters which play a part in achieving desirable metallurgical results. Present activities in explosion metal welding at LASL are presented and shown how they related to the interests of the ERDA community

Half-metallicity in 2D organometallic honeycomb frameworks

Science.gov (United States)

Sun, Hao; Li, Bin; Zhao, Jin

2016-10-01

Half-metallic materials with a high Curie temperature (T C) have many potential applications in spintronics. Magnetic metal free two-dimensional (2D) half-metallic materials with a honeycomb structure contain graphene-like Dirac bands with π orbitals and show excellent aspects in transport properties. In this article, by investigating a series of 2D organometallic frameworks with a honeycomb structure using first principles calculations, we study the origin of forming half-metallicity in this kind of 2D organometallic framework. Our analysis shows that charge transfer and covalent bonding are two crucial factors in the formation of half-metallicity in organometallic frameworks. (i) Sufficient charge transfer from metal atoms to the molecules is essential to form the magnetic centers. (ii) These magnetic centers need to be connected through covalent bonding, which guarantee the strong ferromagnetic (FM) coupling. As examples, the organometallic frameworks composed by (1,3,5)-benzenetricarbonitrile (TCB) molecules with noble metals (Au, Ag, Cu) show half-metallic properties with T C as high as 325 K. In these organometallic frameworks, the strong electronegative cyano-groups (CN groups) drive the charge transfer from metal atoms to the TCB molecules, forming the local magnetic centers. These magnetic centers experience strong FM coupling through the d-p covalent bonding. We propose that most of the 2D organometallic frameworks composed by molecule—CN—noble metal honeycomb structures contain similar half metallicity. This is verified by replacing TCB molecules with other organic molecules. Although the TCB-noble metal organometallic framework has not yet been synthesized, we believe the development of synthesizing techniques and facility will enable the realization of them. Our study provides new insight into the 2D half-metallic material design for the potential applications in nanotechnology.

Half-metallicity in 2D organometallic honeycomb frameworks

International Nuclear Information System (INIS)

Sun, Hao; Li, Bin; Zhao, Jin

2016-01-01

Half-metallic materials with a high Curie temperature (T C ) have many potential applications in spintronics. Magnetic metal free two-dimensional (2D) half-metallic materials with a honeycomb structure contain graphene-like Dirac bands with π orbitals and show excellent aspects in transport properties. In this article, by investigating a series of 2D organometallic frameworks with a honeycomb structure using first principles calculations, we study the origin of forming half-metallicity in this kind of 2D organometallic framework. Our analysis shows that charge transfer and covalent bonding are two crucial factors in the formation of half-metallicity in organometallic frameworks. (i) Sufficient charge transfer from metal atoms to the molecules is essential to form the magnetic centers. (ii) These magnetic centers need to be connected through covalent bonding, which guarantee the strong ferromagnetic (FM) coupling. As examples, the organometallic frameworks composed by (1,3,5)-benzenetricarbonitrile (TCB) molecules with noble metals (Au, Ag, Cu) show half-metallic properties with T C as high as 325 K. In these organometallic frameworks, the strong electronegative cyano-groups (CN groups) drive the charge transfer from metal atoms to the TCB molecules, forming the local magnetic centers. These magnetic centers experience strong FM coupling through the d – p covalent bonding. We propose that most of the 2D organometallic frameworks composed by molecule—CN—noble metal honeycomb structures contain similar half metallicity. This is verified by replacing TCB molecules with other organic molecules. Although the TCB-noble metal organometallic framework has not yet been synthesized, we believe the development of synthesizing techniques and facility will enable the realization of them. Our study provides new insight into the 2D half-metallic material design for the potential applications in nanotechnology. (paper)

Method of regulating magnetic field of magnetic pole center

International Nuclear Information System (INIS)

Watanabe, Masao; Yamada, Teruo; Kato, Norihiko; Toda, Yojiro; Kaneda, Yasumasa.

1978-01-01

Purpose: To provide the subject method comprising using a plurality of magnetic metal pieces having different thicknesses, regulating very easily symmetry of the field of the magnetic pole center depending upon the combination of said metal pieces, thereby obtaining a magnetic field of high precision. Method: The regulation of magnetic field at the central part of the magnetic field is not depending only upon processing of the center plug, axial movement of trim coil and ion source but by providing a magnetic metal piece such as an iron ring, primary higher harmonics of the field at the center of the magnetic field can be regulated simply while the position of the ion source slit is on the equipotential surface in the field. (Yoshihara, H.)

Polyamorphism in metalic glass.

Energy Technology Data Exchange (ETDEWEB)

Sheng, H. W.; Liu, H. Z.; Cheng, Y. Q.; Wen, J.; Lee, P.L.; Luo, W.K.; Shastri, S.D.; Ma, E.; X-Ray Science Division; Johns Hopkins Univ.; Chinese Academy of Sciences

2007-03-01

A metal, or an alloy, can often exist in more than one crystal structure. The face-centered-cubic and body-centered-cubic forms of iron (or steel) are a familiar example of such polymorphism. When metallic materials are made in the amorphous form, is a parallel 'polyamorphism' possible? So far, polyamorphic phase transitions in the glassy state have been observed only in glasses involving directional and open (such as tetrahedral) coordination environments. Here, we report an in situ X-ray diffraction observation of a pressure-induced transition between two distinct amorphous polymorphs in a Ce{sub 55}Al{sub 45} metallic glass. The large density difference observed between the two polyamorphs is attributed to their different electronic and atomic structures, in particular the bond shortening revealed by ab initio modeling of the effects of f-electron delocalization. This discovery offers a new perspective of the amorphous state of metals, and has implications for understanding the structure, evolution and properties of metallic glasses and related liquids. Our work also opens a new avenue towards technologically useful amorphous alloys that are compositionally identical but with different thermodynamic, functional and rheological properties due to different bonding and structural characteristics.

Orientation dependence of the dislocation microstructure in compressed body-centered cubic molybdenum

International Nuclear Information System (INIS)

Wang, S.; Wang, M.P.; Chen, C.; Xiao, Z.; Jia, Y.L.; Li, Z.; Wang, Z.X.

2014-01-01

The orientation dependence of the deformation microstructure has been investigated in commercial pure molybdenum. After deformation, the dislocation boundaries of compressed molybdenum can be classified, similar to that in face-centered cubic metals, into three types: dislocation cells (Type 2), and extended planar boundaries parallel to (Type 1) or not parallel to (Type 3) a (110) trace. However, it shows a reciprocal relationship between face-centered cubic metals and body-centered cubic metals on the orientation dependence of the deformation microstructure. The higher the strain, the finer the microstructure is and the smaller the inclination angle between extended planar boundaries and the compression axis is. - Highlights: • A reciprocal relationship between FCC metals and BCC metals is confirmed. • The dislocation boundaries can be classified into three types in compressed Mo. • The dislocation characteristic of different dislocation boundaries is different

Center for Hydrogen Storage.

Science.gov (United States)

2013-06-01

The main goals of this project were to (1) Establish a Center for Hydrogen Storage Research at Delaware State University for the preparation and characterization of selected complex metal hydrides and the determination their suitability for hydrogen ...

An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. I. Model and validation

Energy Technology Data Exchange (ETDEWEB)

Hegde, Ganesh, E-mail: ghegde@purdue.edu; Povolotskyi, Michael; Kubis, Tillmann; Klimeck, Gerhard, E-mail: gekco@purdue.edu [Network for Computational Nanotechnology (NCN), Department of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Boykin, Timothy [Department of Electrical and Computer Engineering, University of Alabama, Huntsville, Alabama (United States)

2014-03-28

Semi-empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper, an environment-aware and transferable TB model suitable for electronic structure and transport simulations in technologically relevant metals, metallic alloys, metal nanostructures, and metallic interface systems are described. Part I of this paper describes the development and validation of the new TB model. The new model incorporates intra-atomic diagonal and off-diagonal elements for implicit self-consistency and greater transferability across bonding environments. The dependence of the on-site energies on strain has been obtained by appealing to the Moments Theorem that links closed electron paths in the system to energy moments of angular momentum resolved local density of states obtained ab initio. The model matches self-consistent density functional theory electronic structure results for bulk face centered cubic metals with and without strain, metallic alloys, metallic interfaces, and metallic nanostructures with high accuracy and can be used in predictive electronic structure and transport problems in metallic systems at realistically extended length scales.

An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. I. Model and validation

International Nuclear Information System (INIS)

Hegde, Ganesh; Povolotskyi, Michael; Kubis, Tillmann; Klimeck, Gerhard; Boykin, Timothy

2014-01-01

Semi-empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper, an environment-aware and transferable TB model suitable for electronic structure and transport simulations in technologically relevant metals, metallic alloys, metal nanostructures, and metallic interface systems are described. Part I of this paper describes the development and validation of the new TB model. The new model incorporates intra-atomic diagonal and off-diagonal elements for implicit self-consistency and greater transferability across bonding environments. The dependence of the on-site energies on strain has been obtained by appealing to the Moments Theorem that links closed electron paths in the system to energy moments of angular momentum resolved local density of states obtained ab initio. The model matches self-consistent density functional theory electronic structure results for bulk face centered cubic metals with and without strain, metallic alloys, metallic interfaces, and metallic nanostructures with high accuracy and can be used in predictive electronic structure and transport problems in metallic systems at realistically extended length scales

An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. I. Model and validation

Science.gov (United States)

Hegde, Ganesh; Povolotskyi, Michael; Kubis, Tillmann; Boykin, Timothy; Klimeck, Gerhard

2014-03-01

Semi-empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper, an environment-aware and transferable TB model suitable for electronic structure and transport simulations in technologically relevant metals, metallic alloys, metal nanostructures, and metallic interface systems are described. Part I of this paper describes the development and validation of the new TB model. The new model incorporates intra-atomic diagonal and off-diagonal elements for implicit self-consistency and greater transferability across bonding environments. The dependence of the on-site energies on strain has been obtained by appealing to the Moments Theorem that links closed electron paths in the system to energy moments of angular momentum resolved local density of states obtained ab initio. The model matches self-consistent density functional theory electronic structure results for bulk face centered cubic metals with and without strain, metallic alloys, metallic interfaces, and metallic nanostructures with high accuracy and can be used in predictive electronic structure and transport problems in metallic systems at realistically extended length scales.

Reactivity of Dinitrogen Bound to Mid- and Late-Transition-Metal Centers

NARCIS (Netherlands)

Khoenkhoen, N.; de Bruin, B.; Reek, J.N.H.; Dzik, W.I.

2015-01-01

This review presents a comprehensive overview of the reactions of N-2 within the coordination sphere of transition metals of groups 6 to 9. Many of these metals mediate the reaction of N-2 with protons under reductive conditions, which can lead to the (catalytic) formation of ammonia or hydrazine,

The large second-harmonic generation of LiCs{sub 2}PO{sub 4} is caused by the metal-cation-centered groups

Energy Technology Data Exchange (ETDEWEB)

Cheng, Xiyue; Guo, Guo-Cong; Hong, Maochun; Deng, Shuiquan [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou (China); Whangbo, Myung-Hwan [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou (China); Department of Chemistry, North Carolina State University, Raleigh, NC (United States)

2018-04-03

We evaluated the individual atom contributions to the second harmonic generation (SHG) coefficients of LiCs{sub 2}PO{sub 4} (LCPO) by introducing the partial response functionals on the basis of first principles calculations. The SHG response of LCPO is dominated by the metal-cation-centered groups CsO{sub 6} and LiO{sub 4}, not by the nonmetal-cation-centered groups PO{sub 4} expected from the existing models and theories. The SHG coefficients of LCPO are determined mainly by the occupied orbitals O 2p and Cs 5p as well as by the unoccupied orbitals Cs 5d and Li 2p. For the SHG response of a material, the polarizable atomic orbitals of the occupied and the unoccupied states are both important. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Economizer Based Data Center Liquid Cooling with Advanced Metal Interfaces

Energy Technology Data Exchange (ETDEWEB)

Timothy Chainer

2012-11-30

A new chiller-less data center liquid cooling system utilizing the outside air environment has been shown to achieve up to 90% reduction in cooling energy compared to traditional chiller based data center cooling systems. The system removes heat from Volume servers inside a Sealed Rack and transports the heat using a liquid loop to an Outdoor Heat Exchanger which rejects the heat to the outdoor ambient environment. The servers in the rack are cooled using a hybrid cooling system by removing the majority of the heat generated by the processors and memory by direct thermal conduction using coldplates and the heat generated by the remaining components using forced air convection to an air- to- liquid heat exchanger inside the Sealed Rack. The anticipated benefits of such energy-centric configurations are significant energy savings at the data center level. When compared to a traditional 10 MW data center, which typically uses 25% of its total data center energy consumption for cooling this technology could potentially enable a cost savings of up to $800,000-$2,200,000/year (assuming electricity costs of 4 to 11 cents per kilowatt-hour) through the reduction in electrical energy usage.

Casimir Repulsion between Metallic Objects in Vacuum

International Nuclear Information System (INIS)

Levin, Michael; McCauley, Alexander P.; Rodriguez, Alejandro W.; Reid, M. T. Homer; Johnson, Steven G.

2010-01-01

We give an example of a geometry in which two metallic objects in vacuum experience a repulsive Casimir force. The geometry consists of an elongated metal particle centered above a metal plate with a hole. We prove that this geometry has a repulsive regime using a symmetry argument and confirm it with numerical calculations for both perfect and realistic metals. The system does not support stable levitation, as the particle is unstable to displacements away from the symmetry axis.

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

Science.gov (United States)

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

2009-12-01

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

Chalcogenide metal centers for oxygen reduction reaction: Activity and tolerance

International Nuclear Information System (INIS)

Feng Yongjun; Gago, Aldo; Timperman, Laure; Alonso-Vante, Nicolas

2011-01-01

This mini-review summarizes materials design methods, oxygen reduction kinetics, tolerance to small organic molecules and fuel cell performance of chalcogenide metal catalysts, particularly, ruthenium (Ru x Se y ) and non-precious transition metals (M x X y : M = Co, Fe and Ni; X = Se and S). These non-platinum catalysts are potential alternatives to Pt-based catalysts because of their comparable catalytic activity (Ru x Se y ), low cost, high abundance and, in particular, a high tolerance to small organic molecules. Developing trends of synthesis methods, mechanism of oxygen reduction reaction and applications in direct alcohol fuel cells as well as the substrate effect are highlighted.

Metallic Winds in Dwarf Galaxies

International Nuclear Information System (INIS)

Robles-Valdez, F.; Rodríguez-González, A.; Hernández-Martínez, L.; Esquivel, A.

2017-01-01

We present results from models of galactic winds driven by energy injected from nuclear (at the galactic center) and non-nuclear starbursts. The total energy of the starburst is provided by very massive young stellar clusters, which can push the galactic interstellar medium and produce an important outflow. Such outflow can be a well or partially mixed wind, or a highly metallic wind. We have performed adiabatic 3D N -Body/Smooth Particle Hydrodynamics simulations of galactic winds using the gadget-2 code. The numerical models cover a wide range of parameters, varying the galaxy concentration index, gas fraction of the galactic disk, and radial distance of the starburst. We show that an off-center starburst in dwarf galaxies is the most effective mechanism to produce a significant loss of metals (material from the starburst itself). At the same time, a non-nuclear starburst produces a high efficiency of metal loss, in spite of having a moderate to low mass loss rate.

Evaluation of Heavy Metals in Iranian and Non-Iranian Rice Supplied by Shopping Centers of Kashan, Iran

Directory of Open Access Journals (Sweden)

Rabbani D.1 PhD,

2015-01-01

Full Text Available Aims Heavy metals in the environment are toxic to plants, animals and human. This study aimed to investigate concentration of Arsenic, Lead and Cadmium in Iranian and non- Iranian rice which have been sold in Kashan City, Iran shops. Materials & Methods In this cross-sectional study, 126 samples from 42 trademarks (15 Iranian and 27 non-Iranian rice were collected from Kashan shopping centers. At first each sample was ashed, and then they have been dissolved with nitric acid. Heavy metal concentration was evaluated by inductively coupled plasma emission spectrophotometer. Data were analyzed by SPSS 16 software using One-sample and Independent T-tests. Findings Arsenic was not found in any of rice samples. There was a significant difference between Pb concentration in both Iranian and non-Iranian rice samples. There was not a significance difference between Cd concentration in Iranian (p=0.823 and non-Iranian (p=0.346 rice samples according to Iran national standards but there was a significant difference between Cd concentration in both Iranian (p=0.001 and non-Iranian (p=0.001 rice samples according to WHO and FAO standards. Conclusion Consumed rice pollution with Pb is considerable but with Cd is low. Arsenic concentration in Iranian and non-Iranian rice is less than Iran national and WHO/FAO standards.

Ceramic/metal seals. [refractory materials for hermetic seals for lighium-metal sulfide batteries

Science.gov (United States)

Bredbenner, A. M.

1977-01-01

Design criteria are discussed for a hermetic seal capable of withstanding the 450 C operating temperature of a lithium-metal sulfide battery system. A mechanical seal consisting of two high strength alloy metal sleeves welded or brazed to a conductor assembly and pressed onto a ceramic is described. The conductor center passes through the ceramic but is not sealed to it. The seal is effected on the outside of the taper where the tubular part is pressed down over and makes contact.

Neutron powder diffraction of metal-organic frameworks for ...

Indian Academy of Sciences (India)

We review recent structural studies that we have undertaken aimed at elucidating the fundamental properties of metal-organic framework materials and their interactions with hydrogen. We have shown that exposing coordinatively unsaturated metal centers can greatly enhance the hydrogen binding energy and that they ...

Quantitative Interpretation of Multifrequency Multimode EPR Spectra of Metal Containing Proteins, Enzymes, and Biomimetic Complexes.

Science.gov (United States)

Petasis, Doros T; Hendrich, Michael P

2015-01-01

Electron paramagnetic resonance (EPR) spectroscopy has long been a primary method for characterization of paramagnetic centers in materials and biological complexes. Transition metals in biological complexes have valence d-orbitals that largely define the chemistry of the metal centers. EPR spectra are distinctive for metal type, oxidation state, protein environment, substrates, and inhibitors. The study of many metal centers in proteins, enzymes, and biomimetic complexes has led to the development of a systematic methodology for quantitative interpretation of EPR spectra from a wide array of metal containing complexes. The methodology is now contained in the computer program SpinCount. SpinCount allows simulation of EPR spectra from any sample containing multiple species composed of one or two metals in any spin state. The simulations are quantitative, thus allowing determination of all species concentrations in a sample directly from spectra. This chapter will focus on applications to transition metals in biological systems using EPR spectra from multiple microwave frequencies and modes. © 2015 Elsevier Inc. All rights reserved.

Effects of the exotic zebra mussel (Dreissena polymorpha) on metal cycling in Lake Erie

Energy Technology Data Exchange (ETDEWEB)

Klerks, P.L. [Univ. of Southwestern Louisiana, Dept. of Biology, Lafayette, Louisiana (United States)]. E-mail: klerks@usl.edu; Fraleigh, P.C.; Lawniczak, J.E. [Univ. of Toledo, Dept. of Biology, Toledo, Ohio (United States)

1997-07-15

This research demonstrated the impact of high densities of the zebra mussel (Dreissena polymorpha) on the cycling of copper, nickel, and zinc in a lake environment. Experiments with mussels on sedimentation traps in western Lake Erie and with mussels in flow-through tanks receiving Lake Erie water showed that zebra mussels remove metals from the water column, incorporate metals in their tissues, and deposit metals on the lake bottom. Removal of metals from the water column was estimated at 10-17%{center_dot}day{sup -1} of the amounts present. This material was largely deposited on the lake bottom; zebra mussels more than doubled the rate at which metals were being added to the lake bottom. Metal biodeposition rates were extremely high (e.g., 50 mg Zn{center_dot}m{sup -2}{center_dot}day{sup -1}) in high-turbidity areas with elevated metal levels. Two factors contributed to metal biodeposition by zebra mussels. First, their production of feces and pseudofeces increased the rate at which suspended matter was being added to the sediment (accounting for 92% of the increased metal biodeposition). Second, the material coming out of suspension had higher metal concentrations when zebra mussels were present (constituting 8% of the increased biodeposition). (author)

Production of crystalline refractory metal oxides containing colloidal metal precipitates and useful as solar-effective absorbers

Science.gov (United States)

Narayan, Jagdish; Chen, Yok

1983-01-01

This invention is a new process for producing refractory crystalline oxides having improved or unusual properties. The process comprises the steps of forming a doped-metal crystal of the oxide; exposing the doped crystal in a bomb to a reducing atmosphere at superatmospheric pressure and a temperature effecting precipitation of the dopant metal in the crystal lattice of the oxide but insufficient to effect net diffusion of the metal out of the lattice; and then cooling the crystal. Preferably, the cooling step is effected by quenching. The process forms colloidal precipitates of the metal in the oxide lattice. The process may be used, for example, to produce thermally stable black MgO crystalline bodies containing magnetic colloidal precipitates consisting of about 99% Ni. The Ni-containing bodies are solar-selective absorbers, having a room-temperature absorptivity of about 0.96 over virtually all of the solar-energy spectrum and exhibiting an absorption edge in the region of 2 .mu.m. The process parameters can be varied to control the average size of the precipitates. The process can produce a black MgO crystalline body containing colloidal Ni precipitates, some of which have the face-centered-cubic structure and others of which have the body-centered cubic structure. The products of the process are metal-precipitate-containing refractory crystalline oxides which have improved or unique optical, mechanical, magnetic, and/or electronic properties.

Photoisomerization Mechanism of Ruthenium Sulfoxide Complexes: Role of the Metal-Centered Excited State in the Bond Rupture and Bond Construction Processes.

Science.gov (United States)

Li, Huifang; Zhang, Lisheng; Zheng, Lvyin; Li, Xun; Fan, Xiaolin; Zhao, Yi

2016-09-26

Phototriggered intramolecular isomerization in a series of ruthenium sulfoxide complexes, [Ru(L)(tpy)(DMSO)](n+) (where tpy=2,2':6',2''-terpyridine; DMSO=dimethyl sulfoxide; L=2,2'-bipyridine (bpy), n=2; N,N,N',N'-tetramethylethylenediamine (tmen) n=2; picolinate (pic), n=1; acetylacetonate (acac), n=1; oxalate (ox), n=0; malonate (mal), n=0), was investigated theoretically. It is observed that the metal-centered ligand field ((3) MC) state plays an important role in the excited state S→O isomerization of the coordinated DMSO ligand. If the population of (3) MCS state is thermally accessible and no (3) MCO can be populated from this state, photoisomerization will be turned off because the (3) MCS excited state is expected to lead to fast radiationless decay back to the original (1) GSS ground state or photodecomposition along the Ru(2+) -S stretching coordinate. On the contrary, if the population of (3) MCS (or (3) MCO ) state is inaccessible, photoinduced S→O isomerization can proceed adiabatically on the potential energy surface of the metal-to-ligand charge transfer excited states ((3) MLCTS →(3) MLCTO ). It is hoped that these results can provide valuable information for the excited state isomerization in photochromic d(6) transition-metal complexes, which is both experimentally and intellectually challenging as a field of study. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Transition metal mediated transformations of small molecules

Energy Technology Data Exchange (ETDEWEB)

Sen, Ayusman [Pennsylvania State Univ., University Park, PA (United States)

2017-03-08

Catalysis at metal centers is of great scientific, as well as practical, importance because of the high efficiency, high specificity, and low energy demands often associated with such systems. The two major themes of our research are (a) the design of metal-based systems for the synthesis of novel classes of polymers and (b) the identification of new metal-catalyzed systems for the conversion of biomass to fuels and chemicals, and related “green” chemical processes.

Energy landscape of defects in body-centered cubic metals

International Nuclear Information System (INIS)

Alexander, Rebecca

2016-01-01

The structural materials in nuclear reactors are subjected to severe irradiation conditions, leading to changes in their mechanical properties. The aging of these materials raises important issues such as those related to the safety of existing plants and future reactors. In many cases, materials with body-centered cubic bcc crystal structure are used with iron, tungsten, vanadium and tantalum as base metal. Collisions between irradiating particles and atoms constituting materials generate point defects whose migration leads to the formation of clusters responsible for aging. In this thesis, we studied the energetic properties of point defects in the bcc metals mentioned above at the atomic scale. Modeling point defects at the atomic scale can be achieved with different methods that differ only in the quality of the description of the interaction between atoms. Studies using accurate atomic interactions such ab initio calculations are computationally costly making it impossible to directly study clusters of large sizes. The modeling of atomic interactions using semi-empirical potentials reduces the reliability of predictive calculations but allow calculations for large-sized clusters. In this thesis we have developed a unique energy model for dislocation loops as well as for three-dimensional interstitial cluster of type C15. The resulting model has no size limit and can be set entirely by ab initio calculations. To test its robustness for large sizes of clusters we also set this model with semi-empirical potentials calculations and compared the predictions of the model to atomic simulations. With our development we have determined: (i) The relative stability of interstitial dislocation loops according to their Burgers vectors. (ii) The stability of the clusters C15 compared to the type of cluster loop. We showed that the C15 type clusters are more stable when they involve less than 41 interstitials in iron. (iii) In Ta we were able to show the same stability till

Metal-silica sol-gel materials

Science.gov (United States)

Stiegman, Albert E. (Inventor)

2002-01-01

The present invention relates to a single phase metal-silica sol-gel glass formed by the co-condensation of a transition metal with silicon atoms where the metal atoms are uniformly distributed within the sol-gel glass as individual metal centers. Any transition metal may be used in the sol-gel glasses. The present invention also relates to sensor materials where the sensor material is formed using the single phase metal-silica sol-gel glasses. The sensor materials may be in the form of a thin film or may be attached to an optical fiber. The present invention also relates to a method of sensing chemicals using the chemical sensors by monitoring the chromatic change of the metal-silica sol-gel glass when the chemical binds to the sensor. The present invention also relates to oxidation catalysts where a metal-silica sol-gel glass catalyzes the reaction. The present invention also relates to a method of performing oxidation reactions using the metal-silica sol-gel glasses. The present invention also relates to organopolymer metal-silica sol-gel composites where the pores of the metal-silica sol-gel glasses are filled with an organic polymer polymerized by the sol-gel glass.

Crucible-Free Synthesis of Silicides and Borides; Synthese de siliciures et de borures sans creuset; Bestigel'nyj sintez silitsidov i boridov; Sintesis de siliciuros y boruros sin crisol

Energy Technology Data Exchange (ETDEWEB)

Ban, Z.; Sikirica, M. [Rudjer Boskovic Institute, Zagreb, Yugoslavia (Croatia)

1963-11-15

The laboratory method for preparing pure silicides and borides, reducing the corresponding oxides of metals, has been developed. Synthesis of silicides was carried out in the floating zone of molten silicon. The floating zone was obtained by means of electron bombardment. Synthesis of borides is similar but reactions are generally of the solid-solid type. Initial heating of the reaction mixture was also obtained by means of the electron beam but further heating was produced by the ionized gaseous products of the reaction. (author) [French] On a mis au point une methode pour la preparation en laboratoire de siliciures et de borures purs, par reduction des oxydes des metaux correspondants. La synthese des siliciures a pu etre faite dans la ''zone flottante'' du silicium fondu. Cette zone flottante a ete obtenue par bombardement electronique. La synthese des borures est analogue, mais les reactions ont lieu generalement a Tetat solide. Le chauffage initial du melange reactionnel a egalement ete obtenu pai bombardement electronique, mais le chauffage ulterieur etait assure par les electrons diffuses des produits ionises gazeux de la reaction. (author) [Spanish] Los autores idearon un metodo de laboratorio para preparar siliciuros y boruros puros por reduccion de los respectivos oxidos metalicos. La sintesis de los siliciuros se llevo a cabo en la zona flotante del silicio fundido. Esa zona se obtuvo por bombardeo electronico. La sintesis de los boruros se llevo a cabo de manera similar, pero generalmente las reacciones son del tipo solido-solido. El calentamiento inicial de la mezcla se efectuo tambien mediante un haz electronico, pero el calentamiento ulterior es producido por la dispersion electronica en los productos de reaccion ionizados en estado gaseoso. (author) [Russian] Razrabotan laboratornyj metod prigotovleniya chistykh silitsidov i boridov putem vosstanovleniya sootvetstvennykh okislov metalla. Sintez, silitsidov provodili v plavayushchej zone

BDA: A novel method for identifying defects in body-centered cubic crystals.

Science.gov (United States)

Möller, Johannes J; Bitzek, Erik

2016-01-01

The accurate and fast identification of crystallographic defects plays a key role for the analysis of atomistic simulation output data. For face-centered cubic (fcc) metals, most existing structure analysis tools allow for the direct distinction of common defects, such as stacking faults or certain low-index surfaces. For body-centered cubic (bcc) metals, on the other hand, a robust way to identify such defects is currently not easily available. We therefore introduce a new method for analyzing atomistic configurations of bcc metals, the BCC Defect Analysis (BDA). It uses existing structure analysis algorithms and combines their results to uniquely distinguish between typical defects in bcc metals. In essence, the BDA method offers the following features:•Identification of typical defect structures in bcc metals.•Reduction of erroneously identified defects by iterative comparison to the defects in the atom's neighborhood.•Availability as ready-to-use Python script for the widespread visualization tool OVITO [http://ovito.org].

Evolution of microstructure in face centered cubic metals during irradiation: A review

International Nuclear Information System (INIS)

Garner, F.A.

1993-06-01

When fcc metals and alloys are irradiated at elevated temperatures, they tend to evolve toward saturation microstructures that are independent of the starting state of the metal and the early details of irradiation history. This leads to property changes and rates of dimensional change that also eventually become independent of the starting state. The evolution of microstructure in complex alloys, especially during the transient regime, is usually determined by the complex interaction of many microstructural and microchemical processes. The more complex the alloy, the more difficult it is to-identify and define the separate influence of each participating mechanism. The use of irradiation studies conducted on simple metals or model alloys assists in understanding the behavior of alloys of engineering relevance. A review of such studies shows that a number of prevailing perceptions of radiation-induced microstructural evolution are not universally correct

Optical properties of T-centers under gamma irradiation

CERN Document Server

Polosan, S; Dragusin, M; Topa, V

2003-01-01

Electrolytic coloring of KCl:Pb crystals, leads to formation of negative metal ions with intense emission in the infrared region. These new color centers were named T centers; their most probable configuration could be Pb sub 2 sup 2 sup - , due to the lack of EPR or DCM signals. In order to destroy these structures, the crystals were irradiated with gamma-rays at high doses. The results were the detachment of the electrons from T centers and the appearance of Pb sup 2 sup + - ions. The possibility cannot be excluded of the existence of Pb sup + and Pb sup 0 centers in the samples, because these centers do not exhibit any optical properties on this spectral region. (authors)

Metallic substrates for high temperature superconductors

Science.gov (United States)

Truchan, Thomas G.; Miller, Dean J.; Goretta, Kenneth C.; Balachandran, Uthamalingam; Foley, Robert

2002-01-01

A biaxially textured face-centered cubic metal article having grain boundaries with misorientation angles greater than about 8.degree. limited to less than about 1%. A laminate article is also disclosed having a metal substrate first rolled to at least about 95% thickness reduction followed by a first annealing at a temperature less than about 375.degree. C. Then a second rolling operation of not greater than about 6% thickness reduction is provided, followed by a second annealing at a temperature greater than about 400.degree. C. A method of forming the metal and laminate articles is also disclosed.

Semiconductor color-center structure and excitation spectra: Equation-of-motion coupled-cluster description of vacancy and transition-metal defect photoluminescence

Science.gov (United States)

Lutz, Jesse J.; Duan, Xiaofeng F.; Burggraf, Larry W.

2018-03-01

Valence excitation spectra are computed for deep-center silicon-vacancy defects in 3C, 4H, and 6H silicon carbide (SiC), and comparisons are made with literature photoluminescence measurements. Optimizations of nuclear geometries surrounding the defect centers are performed within a Gaussian basis-set framework using many-body perturbation theory or density functional theory (DFT) methods, with computational expenses minimized by a QM/MM technique called SIMOMM. Vertical excitation energies are subsequently obtained by applying excitation-energy, electron-attached, and ionized equation-of-motion coupled-cluster (EOMCC) methods, where appropriate, as well as time-dependent (TD) DFT, to small models including only a few atoms adjacent to the defect center. We consider the relative quality of various EOMCC and TD-DFT methods for (i) energy-ordering potential ground states differing incrementally in charge and multiplicity, (ii) accurately reproducing experimentally measured photoluminescence peaks, and (iii) energy-ordering defects of different types occurring within a given polytype. The extensibility of this approach to transition-metal defects is also tested by applying it to silicon-substituted chromium defects in SiC and comparing with measurements. It is demonstrated that, when used in conjunction with SIMOMM-optimized geometries, EOMCC-based methods can provide a reliable prediction of the ground-state charge and multiplicity, while also giving a quantitative description of the photoluminescence spectra, accurate to within 0.1 eV of measurement for all cases considered.

Structural studies on metal-serum albumin. 4

International Nuclear Information System (INIS)

Zhou Yongquia; Hu Xuying; Dou Chao; Liu Hong; Wang Sheyi; Shen Panwen

1992-01-01

There have been no detailed and reliable studies on the environment and configuration of Zn(II), Cd(II) and Hg(II) in the metal centers of human serum albumin and bovine serum albumin to date. In this paper the authentic evidence for the involvement of the cystinyl sulfur atoms in the ligation to the zinc group ions has been obtained from the X-ray photoelectron spectra. To belief that each of the zinc group ions possesses several binding sites in human- and bovine serum albumin and is bound to the deprotonated thiol group (-RS - ) of the cysteinyl residues to form tetrahedral and linear metal centers has been further confirmed by the treatment of ligand to metal charge transfer data with Jorgensen's method. According to these results, it was inferred that these binding sites may be located at the 17 disulfide bridges, most likely at the 7 pairs of adjacent disulfide bridges between positions 75 and 567, in the serum albumin. (author). 42 refs.; 5 figs

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

Science.gov (United States)

1986-09-23

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

DISCOVERY OF LOW-METALLICITY STARS IN THE CENTRAL PARSEC OF THE MILKY WAY

Energy Technology Data Exchange (ETDEWEB)

Do, Tuan [Dunlap Institute for Astronomy and Astrophysics, University of Toronto, 50 St. George Street, Toronto, ON M5S 3H4 (Canada); Kerzendorf, Wolfgang; Støstad, Morten [Department of Astronomy and Astrophysics, University of Toronto, 50 St. George Street, Toronto, ON M5S 3H4 (Canada); Winsor, Nathan [Grenfell Campus—Memorial University of Newfoundland, St. John’s, NL A1B 3X9 (Canada); Morris, Mark R.; Ghez, Andrea M. [UCLA Galactic Center Group, Physics and Astronomy Department, UCLA, Los Angeles, CA 90095-1547 (United States); Lu, Jessica R., E-mail: tdo@astro.ucla.edu [Institute for Astronomy, University of Hawaii, Honolulu, HI (United States)

2015-08-20

We present a metallicity analysis of 83 late-type giants within the central 1 pc of the Milky Way. K-band spectroscopy of these stars was obtained with the medium spectral resolution integral-field spectrograph NIFS on Gemini North using laser-guided star adaptive optics. Using spectral template fitting with the MARCS synthetic spectral grid, we find that there is a large variation in the metallicity, with stars ranging from [M/H] < −1.0 to above solar metallicity. About 6% of the stars have [M/H] < −0.5. This result is in contrast to previous observations with smaller samples that show stars at the Galactic center having approximately solar metallicity with only small variations. Our current measurement uncertainties are dominated by systematics in the model, especially at [M/H] > 0, where there are stellar lines not represented in the model. However, the conclusion that there are low-metallicity stars, as well as large variations in metallicity, is robust. The metallicity may be an indicator of the origin of these stars. The low-metallicity population is consistent with that of globular clusters in the Milky Way, but their small fraction likely means that globular cluster infall is not the dominant mechanism for forming the Milky Way nuclear star cluster. The majority of stars are at or above solar metallicity, which suggests they were formed closer to the Galactic center or from the disk. In addition, our results indicate that it will be important for star formation history analyses using red giants at the Galactic center to consider the effect of varying metallicity.

Metals: In Sickness and in Health

Science.gov (United States)

... They make vital functions like respiration, circulation and reproduction possible. Metals like iron (Fe), zinc (Zn) and ... zinc helps regulate communication between two types of brain cells in the hippocampus, the brain's center of ...

Bovine Serum Albumin Metal Complexes for Mimic of SOD

Indian Academy of Sciences (India)

Key Lab. Eco-Environment-Related Polymer Materials of Ministry of Education, Key Lab. ... scaffold and the metal complex functioned as the catalytic active center. ... small molecule.22 It is found that the antioxidative ... and absence, respectively, of the measured compound. ... monitor the interaction of metal ions with BSA.

Lattice Location of Transition Metals in Semiconductors

CERN Multimedia

2002-01-01

%IS366 %title\\\\ \\\\Transition metals (TMs) in semiconductors have been the subject of considerable research for nearly 40 years. This is due both to their role as important model impurities for deep centers in semiconductors, and to their technological impact as widespread contaminants in Si processing, where the miniaturization of devices requires to keep their sheet concentration below 10$^{10}$ cm$^{-2}$. As a consequence of the low TM solubility, conventional ion beam methods for direct lattice location have failed completely in identifying the lattice sites of isolated transition metals. Although electron paramagnetic resonance (EPR) has yielded valuable information on a variety of TM centers, it has been unable to detect certain defects considered by theory, e.g., isolated interstitial or substitutional Cu in Si. The proposed identity of other EPR centers such as substitutional Fe in Si, still needs confirmation by additional experimental methods. As a consequence, the knowledge on the structural propert...

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

Science.gov (United States)

Ding, Yaoyu; Kovacevic, Radovan

2016-07-01

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

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

Science.gov (United States)

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

2017-10-09

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

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

Science.gov (United States)

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

2017-08-01

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

In-Situ Electrokinetic Remediation for Metal Contaminated Soils

Science.gov (United States)

2001-03-01

phytoremediation , and electrokinetic extraction. The US Army Environmental Center (USAEC) and Engineer Research and Development Center (ERDC...California (CA) List Metals: Antimony, arsenic, barium, beryllium, cadmium, chromium, cobalt, copper, lead, mercury , molybdenum, nickel, selenium...Comparison Technologies with which electrokinetic remediation must compete are "Dig and Haul", Soil Washing, and Phytoremediation . "Dig and haul

Simulation of changes in heavy metal contamination in farmland soils of a typical manufacturing center through logistic-based cellular automata modeling.

Science.gov (United States)

Qiu, Menglong; Wang, Qi; Li, Fangbai; Chen, Junjian; Yang, Guoyi; Liu, Liming

2016-01-01

A customized logistic-based cellular automata (CA) model was developed to simulate changes in heavy metal contamination (HMC) in farmland soils of Dongguan, a manufacturing center in Southern China, and to discover the relationship between HMC and related explanatory variables (continuous and categorical). The model was calibrated through the simulation and validation of HMC in 2012. Thereafter, the model was implemented for the scenario simulation of development alternatives for HMC in 2022. The HMC in 2002 and 2012 was determined through soil tests and cokriging. Continuous variables were divided into two groups by odds ratios. Positive variables (odds ratios >1) included the Nemerow synthetic pollution index in 2002, linear drainage density, distance from the city center, distance from the railway, slope, and secondary industrial output per unit of land. Negative variables (odds ratios <1) included elevation, distance from the road, distance from the key polluting enterprises, distance from the town center, soil pH, and distance from bodies of water. Categorical variables, including soil type, parent material type, organic content grade, and land use type, also significantly influenced HMC according to Wald statistics. The relative operating characteristic and kappa coefficients were 0.91 and 0.64, respectively, which proved the validity and accuracy of the model. The scenario simulation shows that the government should not only implement stricter environmental regulation but also strengthen the remediation of the current polluted area to effectively mitigate HMC.

Mathematical Model of Synthesis Catalyst with Local Reaction Centers

Directory of Open Access Journals (Sweden)

I. V. Derevich

2017-01-01

Full Text Available The article considers a catalyst granule with a porous ceramic passive substrate and point active centers on which an exothermic synthesis reaction occurs. A rate of the chemical reaction depends on the temperature according to the Arrhenius law. Heat is removed from the pellet surface in products of synthesis due to heat transfer. In our work we first proposed a model for calculating the steady-state temperature of a catalyst pellet with local reaction centers. Calculation of active centers temperature is based on the idea of self-consistent field (mean-field theory. At first, it is considered that powers of the reaction heat release at the centers are known. On the basis of the found analytical solution, which describes temperature distribution inside the granule, the average temperature of the reaction centers is calculated, which then is inserted in the formula for heat release. The resulting system of transcendental algebraic equations is transformed into a system of ordinary differential equations of relaxation type and solved numerically to achieve a steady-state value. As a practical application, the article considers a Fischer-Tropsch synthesis catalyst granule with active cobalt metallic micro-particles. Cobalt micro-particles are the centers of the exothermic reaction of hydrocarbons macromolecular synthesis. Synthesis occurs as a result of absorption of the components of the synthesis gas on metallic cobalt. The temperature distribution inside the granule for a single local center and reaction centers located on the same granule diameter is found. It was found that there is a critical temperature of reactor exceeding of which leads to significant local overheating of the centers - thermal explosion. The temperature distribution with the local reaction centers is qualitatively different from the granule temperature, calculated in the homogeneous approximation. It is shown that, in contrast to the homogeneous approximation, the

Water Oxidation by Ru-Polyoxometalate Catalysts: Overpotential Dependency on the Number and Charge of the Metal Centers

Directory of Open Access Journals (Sweden)

Simone Piccinin

2015-09-01

Full Text Available Water oxidation is efficiently catalyzed by several Ru-based polyoxometalate (POM molecular catalysts differing in the number, local atomistic environment and oxidation state of the Ru sites. We employ density functional theory calculations to rationalize the dependency of the reaction overpotential on the main structural and electronic molecular properties. In particular, we compare the thermodynamics of the water oxidation cycle for single-site Ru-POM and multiple-site Ru4-POM complexes. For the Ru-POM case, we also investigate the reaction free energy as a function of the Ru oxidation state. We find that the overpotential of these molecular catalysts is primarily determined by the oxidation state of the metal center and is minimum for Ru(IV. In solution, the number of active sites is shown to play a minor role on the reaction energetics. The results are rationalized and discussed in terms of the local structure around the active sites and of the electrostatic screening due to the molecular structure or the solvent.

Transition from metal-ligand bonding to halogen bonding involving a metal as halogen acceptor a study of Cu, Ag, Au, Pt, and Hg complexes

Science.gov (United States)

Oliveira, Vytor; Cremer, Dieter

2017-08-01

Utilizing all-electron Dirac-exact relativistic calculations with the Normalized Elimination of the Small Component (NESC) method and the local vibrational mode approach, the transition from metal-halide to metal halogen bonding is determined for Au-complexes interacting with halogen-donors. The local stretching force constants of the metal-halogen interactions reveal a smooth transition from weak non-covalent halogen bonding to non-classical 3-center-4-electron bonding and finally covalent metal-halide bonding. The strongest halogen bonds are found for dialkylaurates interacting with Cl2 or FCl. Differing trends in the intrinsic halogen-metal bond strength, the binding energy, and the electrostatic potential are explained.

Electronic structure of deep impurity centers in silicon

International Nuclear Information System (INIS)

Oosten, A.B. van.

1989-01-01

This thesis reports an experimental study of deep level impurity centers in silicon, with much attention for theoretical interpretation of the data. A detailed picture of the electronic structure of several centers was obtained by magnetic resonance techniques, such as electron paramagnetic resonance (EPR), electron-nuclear double resonance (ENDOR) and field scanned ENDOR (FSE). The thesis consists of two parts. The first part deals with chalcogen (sulfur, selenium and tellurium) related impurities, which are mostly double donors. The second part is about late transition metal (nickel, palladium and platinum) impurities, which are single (Pd,Pt) or double (Ni) acceptor centers. (author). 155 refs.; 51 figs.; 23 tabs

Uranium and base metal dispersion studies in the Maquire Lake area, Saskatchewan

International Nuclear Information System (INIS)

Sopuck, V.J.; Lehto, D.A.W.; Alley, D.W.

1980-03-01

The objective of this study was to study uranium and base metal dispersion in various sample media occurring in the Maguire Lake area of Saskatchewan: bedrock, overburden, lake water, and lake sediments. Factors controlling partitioning of metals among various sample media were investigated, and lake sediment data were interpreted in terms of the factors to determine the significance of lake sediment data in indicating local mineralization. The association between organic matter contents and metal contents was found to vary between lake-center and nearshore sediments. Nickel, cobalt and zinc in lake sediments are strongly controlled by hydroxide precipitation and are less dependent on bedrock type. The concentration of Fe in center-lake sediments appears to reflect only the physicochemical parameters in the lake. Uranium and copper are strongly controlled by and preferentially concentrated in the organic matter; however, in center-lake sediments with >12 percent organic matter, U and Cu strongly reflect rock type

Surface-Emitting Distributed Feedback Terahertz Quantum-Cascade Lasers in Metal-Metal Waveguides

Science.gov (United States)

Kumar, Sushil; Williams, Benjamin S.; Qin, Qi; Lee, Alan W. M.; Hu, Qing; Reno, John L.

2007-01-01

Single-mode surface-emitting distributed feedback terahertz quantumcascade lasers operating around 2.9 THz are developed in metal-metal waveguides. A combination of techniques including precise control of phase of reflection at the facets, and u e of metal on the sidewalls to eliminate higher-order lateral modes allow robust single-mode operation over a range of approximately 0.35 THz. Single-lobed far-field radiation pattern is obtained using a pi phase-shift in center of the second-order Bragg grating. A grating device operating at 2.93 THz lased up to 149 K in pulsed mode and a temperature tuning of 19 .7 GHz was observed from 5 K to 147 K. The same device lased up to 78 K in continuous-wave (cw) mode emitting more than 6 m W of cw power at 5 K. ln general, maximum temperature of pulsed operation for grating devices was within a few Kelvin of that of multi-mode Fabry-Perot ridge lasers

C- and N-Metalated Nitriles: The Relationship between Structure and Selectivity.

Science.gov (United States)

Yang, Xun; Fleming, Fraser F

2017-10-17

Metalated nitriles are exceptional nucleophiles capable of forging highly hindered stereocenters in cases where enolates are unreactive. The excellent nucleophilicity emanates from the powerful inductive stabilization of adjacent negative charge by the nitrile, which has a miniscule steric demand. Inductive stabilization is the key to understanding the reactivity of metalated nitriles because this permits a continuum of structures that range from N-metalated ketenimines to nitrile anions. Solution and solid-state analyses reveal two different metal coordination sites, the formally anionic carbon and the nitrile nitrogen, with the site of metalation depending intimately on the solvent, counterion, temperature, and ligands. The most commonly encountered structures, C- and N-metalated nitriles, have either sp 3 or sp 2 hybridization at the nucleophilic carbon, which essentially translates into two distinct organometallic species with similar but nonidentical stereoselectivity, regioselectivity, and reactivity preferences. The hybridization differences are particularly important in S N i displacements of cyclic nitriles because the orbital orientations create very precise trajectories that control the cyclization selectivity. Harnessing the orbital differences between C- and N-metalated nitriles allows selective cyclization to afford nitrile-containing cis- or trans-hydrindanes, decalins, or bicyclo[5.4.0]undecanes. Similar orbital constraints favor preferential S N i displacements with allylic electrophiles on sp 3 centers over sp 2 centers. The strategy permits stereoselective displacements on secondary centers to set contiguous tertiary and quaternary stereocenters or even contiguous vicinal quaternary centers. Stereoselective alkylations of acyclic nitriles are inherently more challenging because of the difficulty in creating steric differentiation in a dynamic system with rotatable bonds. However, judicious substituent placement of vicinal dimethyl groups and a

Observation on Heavy Metals in Sediment of Jakarta Bay Waters

Directory of Open Access Journals (Sweden)

Abdul Rozak

2007-04-01

Full Text Available Observation on heavy metals in Jakarta Bay, from June and September 2003. Heavy metals Pb in sediment at the West have been conductet of Jakarta Bay Waters varied between Pb = 8,49-31,22 ppm, Cd = <0,001-0,47 ppm, Cu = 13,81-193,75 ppm, Zn = 82,18-533,59 ppm and Ni = 0,99-35,38 ppm,while those at the Center of Jakarta Bay, varied between Pb = 2,21-69,22 ppm, Cd = <0,001-0,28 ppm, Cu = 3,36-50,65 ppm, Zn = 71,13-230,54 ppm and Ni = 0,42-15,58 ppm and at the East of Jakarta Bay, Pb content varied between 0,25-77,42 ppm, Cd = <0,001-0,42 ppm, Cu = 0,79-44,94 ppm, Zn = 93,21-289,00 ppm and Ni = 0,42-128,47 ppm. Hevy metals content in sediment the West of Jakarta Bay was high of equivalent the Center and East of Jakarta Bay. At than those composition sediment at the west was black, that indicated high heavy metals content.

Electrochemical CO2 and CO reduction on metal-functionalized porphyrin-like graphene

DEFF Research Database (Denmark)

Tripkovic, Vladimir; Vanin, Marco; Karamad, Mohammedreza

2013-01-01

Porphyrin-like metal-functionalized graphene structures have been investigated as possible catalysts for CO2 and CO reduction to methane or methanol. The late transition metals (Cu, Ag, Au, Ni, Pd, Pt, Co, Rh, Ir, Fe, Ru, Os) and some p (B, Al, Ga) and s (Mg) metals comprised the center of the po......Porphyrin-like metal-functionalized graphene structures have been investigated as possible catalysts for CO2 and CO reduction to methane or methanol. The late transition metals (Cu, Ag, Au, Ni, Pd, Pt, Co, Rh, Ir, Fe, Ru, Os) and some p (B, Al, Ga) and s (Mg) metals comprised the center...... instead of CO2. Volcano plots were constructed on the basis of scaling relations of reaction intermediates, and from these plots the reaction steps with the highest overpotentials were deduced. The Rh-porphyrin-like functionalized graphene was identified as the most active catalyst for producing methanol...... from CO, featuring an overpotential of 0.22 V. Additionally, we have also examined the hydrogen evolution and oxidation reaction, and in their case, too, Rh-porphyrin turned out to be the best catalyst with an overpotential of 0.15 V. © 2013 American Chemical Society....

FLIT: Flowing LIquid metal Torus

Science.gov (United States)

Kolemen, Egemen; Majeski, Richard; Maingi, Rajesh; Hvasta, Michael

2017-10-01

The design and construction of FLIT, Flowing LIquid Torus, at PPPL is presented. FLIT focuses on a liquid metal divertor system suitable for implementation and testing in present-day fusion systems, such as NSTX-U. It is designed as a proof-of-concept fast-flowing liquid metal divertor that can handle heat flux of 10 MW/m2 without an additional cooling system. The 72 cm wide by 107 cm tall torus system consisting of 12 rectangular coils that give 1 Tesla magnetic field in the center and it can operate for greater than 10 seconds at this field. Initially, 30 gallons Galinstan (Ga-In-Sn) will be recirculated using 6 jxB pumps and flow velocities of up to 10 m/s will be achieved on the fully annular divertor plate. FLIT is designed as a flexible machine that will allow experimental testing of various liquid metal injection techniques, study of flow instabilities, and their control in order to prove the feasibility of liquid metal divertor concept for fusion reactors. FLIT: Flowing LIquid metal Torus. This work is supported by the US DOE Contract No. DE-AC02-09CH11466.

Growth of metal and semiconductor nanostructures using localized photocatalysts

Energy Technology Data Exchange (ETDEWEB)

Shelnutt, John A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Wang, Zhongchun [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Medforth, Craig J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2006-03-08

Our overall goal has been to understand and develop a light-driven approach to the controlled growth of novel metal and semiconductor nanostructures and nanomaterials. In this photochemical process, bio-inspired porphyrin-based photocatalysts reduce metal salts in aqueous solutions at ambient temperatures when exposed to visible light, providing metal nucleation and growth centers. The photocatalyst molecules are pre-positioned at the nanoscale to control the location of the deposition of metal and therefore the morphology of the nanostructures that are grown. Self-assembly, chemical confinement, and molecular templating are some of the methods we are using for nanoscale positioning of the photocatalyst molecules. When exposed to light, each photocatalyst molecule repeatedly reduces metal ions from solution, leading to deposition near the photocatalyst and ultimately the synthesis of new metallic nanostructures and nanostructured materials. Studies of the photocatalytic growth process and the resulting nanostructures address a number of fundamental biological, chemical, and environmental issues and draw on the combined nanoscience characterization and multi-scale simulation capabilities of the new DOE Center for Integrated Nanotechnologies at Sandia National Laboratories and the University of Georgia. Our main goals are to elucidate the processes involved in the photocatalytic growth of metal nanomaterials and provide the scientific basis for controlled nanosynthesis. The nanomaterials resulting from these studies have applications in nanoelectronics, photonics, sensors, catalysis, and micromechanical systems. Our specific goals for the past three years have been to understand the role of photocatalysis in the synthesis of dendritic metal (Pt, Pd, Au) nanostructures grown from aqueous surfactant solutions under ambient conditions and the synthesis of photocatalytic porphyrin nanostructures (e.g., nanotubes) as templates for fabrication of photo-active metal

Design of Heavy Metals Monitoring System in Water Based on WSN and GPRS

Directory of Open Access Journals (Sweden)

Ke Lin

2014-04-01

Full Text Available In order to realize the real-time monitoring of heavy metals in water environment, a new type of heavy metal monitoring system was developed. The system was composed of monitoring terminal, gateway, GPRS network and upper computer monitoring center. The system detected the heavy metal ion concentrations by ion-selective electrode array and came into the system error automatic compensation method in the detection process. The collecting data was transported to the monitoring center through the cooperation between the wireless sensor network constituted by CC2530 and General Packet Radio Service network. The test result shows that the system can increased precision dramatically and strengthens the real-time transmission capacity effectively. The system is reliable in transmission, high real-time performance, flexible in networking and can be applied to continuous remote monitoring of heavy metals pollution.

Mesoscale plastic texture in body-centered cubic metals under uniaxial load

Czech Academy of Sciences Publication Activity Database

Gröger, Roman; Vitek, V.; Lookman, T.

2017-01-01

Roč. 1, č. 6 (2017), s. 063601 E-ISSN 2475-9953 R&D Projects: GA MŠk(CZ) LQ1601; GA ČR(CZ) GA16-13797S Institutional support: RVO:68081723 Keywords : dislocations * mesoscale * bcc metals Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.)

Photoinitiated Electron Collection in Mixed-Metal Supramolecular Complexes: Development of Photocatalysts for Hydrogen Production. Final Report of Progress August 2017

Energy Technology Data Exchange (ETDEWEB)

Tanko, James M. [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Chemistry

2017-08-01

Mixed-metal supramolecular complexes containing one or two RuII light absorbing subunits coupled through polyazine bridging ligands to a RhIII reactive metal center were prepared for use as photocatalysts for the production of solar H₂ fuel from H₂O. The electrochemical, photophysical, and photochemical properties upon variation of the monodentate, labile ligands coordinated to the Rh reactive metal center were investigated.

Ruprecht 106 - A young metal-poor Galactic globular cluster

International Nuclear Information System (INIS)

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

1990-01-01

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

Alkylamine functionalized metal-organic frameworks for composite gas separations

Science.gov (United States)

Long, Jeffrey R.; McDonald, Thomas M.; D'Alessandro, Deanna M.

2018-01-09

Functionalized metal-organic framework adsorbents with ligands containing basic nitrogen groups such as alkylamines and alkyldiamines appended to the metal centers and method of isolating carbon dioxide from a stream of combined gases and carbon dioxide partial pressures below approximately 1 and 1000 mbar. The adsorption material has an isosteric heat of carbon dioxide adsorption of greater than -60 kJ/mol at zero coverage using a dual-site Langmuir model.

A series of 2D metal-quinolone complexes: Syntheses, structures, and physical properties

Energy Technology Data Exchange (ETDEWEB)

He, Jiang-Hong [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Xiao, Dong-Rong, E-mail: xiaodr98@yahoo.com.cn [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Luo, Qun-Li, E-mail: qlluo@swu.edu.cn [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Wang, En-Bo, E-mail: wangeb889@nenu.edu.cn [Key Laboratory of Polyoxometalate Science of Ministry of Education, Department of Chemistry, Northeast Normal University, Changchun 130024 (China)

2013-02-15

Six novel 2D metal-quinolone complexes, namely [Cd(cfH)(bpdc)]{center_dot}H{sub 2}O (1), [M(norfH)(bpdc)]{center_dot}H{sub 2}O (M=Cd (2) and Mn (3)), [Mn{sub 2}(cfH)(odpa)(H{sub 2}O){sub 3}]{center_dot}0.5H{sub 2}O (4), [Co{sub 2}(norfH)(bpta)({mu}{sub 2}-H{sub 2}O)(H{sub 2}O){sub 2}]{center_dot}H{sub 2}O (5) and [Co{sub 3}(saraH){sub 2}(Hbpta){sub 2}(H{sub 2}O){sub 4}]{center_dot}9H{sub 2}O (6) (cfH=ciprofloxacin, norfH=norfloxacin, saraH=sarafloxacin, bpdc=4,4 Prime -biphenyldicarboxylate, odpa=4,4 Prime -oxydiphthalate, bpta=3,3 Prime ,4,4 Prime -biphenyltetracarboxylate) have been synthesized and characterized. Compounds 1-3 consist of 2D arm-shaped layers based on the 1D {l_brace}M(COO){r_brace}{sub n}{sup n+} chains. Compounds 4 and 5 display 2D structures based on tetranuclear manganese or cobalt clusters with (3,6)-connected kgd topology. Compound 6 exhibits a 2D bilayer structure, which represents the first example of metal-quinolone complexes with 2D bilayer structure. By inspection of the structures of 1-6, it is believed that the long aromatic polycarboxylate ligands are important for the formation of 2D metal-quinolone complexes. The magnetic properties of compounds 3-6 was studied, indicating the existence of antiferromagnetic interactions. Furthermore, the luminescent properties of compounds 1-2 are discussed. - Graphical abstract: Six novel 2D metal-quinolone complexes have been prepared by self-assemblies of the quinolones and metal salts in the presence of long aromatic polycarboxylates. Highlights: Black-Right-Pointing-Pointer Compounds 1-3 consist of novel 2D arm-shaped layers based on the 1D {l_brace}M(COO){r_brace}{sub n}{sup n+} chains. Black-Right-Pointing-Pointer Compounds 4 and 5 are two novel 2D layers based on tetranuclear Mn or Co clusters with kgd topology. Black-Right-Pointing-Pointer Compound 6 is the first example of metal-quinolone complexes with 2D bilayer structure. Black-Right-Pointing-Pointer Compounds 1-6 represent six unusual

Weight Estimate and Centers of Gravity for JT-11 Nuclear Conversion Study

International Nuclear Information System (INIS)

Manning, R. W.

1958-01-01

Weight estimates and centers of gravity for the JT-11 nuclear conversion study are tabulated. Included in the radiator section are: diffuser, shrouds, supports, radiator, liquid metal, shafting and casing.

Metallicity in the GC

International Nuclear Information System (INIS)

Najarro, Francisco

2006-01-01

We review quantitative spectroscopic studies of massive stars in the three Galactic Center clusters: Quintuplet, Arches and Central cluster. Thanks to the impressive evolution of IR detectors and the new generation of line blanketed models for the extended atmospheres of hot stars we are able to accurately derive the physical properties and metallicity estimates of the massive stars in these clusters. For the Quintuplet cluster our analysis of the LBVs provides a direct estimate of a-elements and Fe chemical abundances in these objects. For the Arches cluster, we introduce a method based on the N abundance of WNL stars and the theory of evolution of massive stars. For the Central cluster, new observations reveal IRS 8 as an outsider with respect to the rest of massive stars in the cluster both in terms of age and location. Using the derived properties of IR.S 8, a new method is presented to derive metallicity from the OIII feature at 2.115 μm. Our results indicate solar metallicity in the three clusters

An overview on the Bauschinger effect in metallic materials

International Nuclear Information System (INIS)

Wang Yanfeng; Li Cong; Ling Xuyu; Shen Baoluo; Gao Shengji

2002-01-01

The Bauschinger effect in metallic materials including f.c.c. (face-centered cubic) and b.c.c. (body-centered cubic) materials such as pure alloys, casting alloys, copper alloys, aluminium alloys and metal matrix composite materials, and h.c.p. (hexagonal close packed) materials such as zirconium alloys and titanium alloys have been summarized comprehensively. The mechanism of Bauschinger effect is reviewed from the point of dislocation theory and internal stress (or back stress) that is responsible for the effect. Based upon these theories, the methods for calculating internal stress and models for simulating the effect are described briefly, which could explain the effect quantitatively. Finally, the measures to reduce or eliminate the effect have been pointed out, along with the issues to be researched in the future

Environmental reactions and their effects on mechanical behavior of metallic materials. Technical progress report, February 1, 1977--January 31, 1978

International Nuclear Information System (INIS)

Gibala, R.; Sethi, V.K.; Fournier, R.

1977-01-01

New results obtained in surface oxide softening of the Group VB refractory metals and mechanical behavior of Nb-H and Nb-D alloys are presented. The results include: (a) experimental verification of a model of surface oxide softening of body-centered cubic metals; (b) determination of a stress-differential effect in surface oxide softening; and (c) characterization of hydrogen and deuterium strengthening in Nb and Nb-O alloys. The second section reviews major contributions in topics on: interstitials in metals, mechanical behavior of body-centered cubic metals, solute-defect interactions and internal friction mechanisms in solids

The role of metals in production and scavenging of reactive oxygen species in photosystem II.

Science.gov (United States)

Pospíšil, Pavel

2014-07-01

Metal ions play a crucial role in enzymatic reactions in all photosynthetic organisms such as cyanobacteria, algae and plants. It well known that metal ions maintain the binding of substrate in the active site of the metalloenzymes and control the redox activity of the metalloenzyme in the enzymatic reaction. A large pigment-protein complex, PSII, known to serve as a water-plastoquinone oxidoreductase, contains three metal centers comprising non-heme iron, heme iron of Cyt b559 and the water-splitting manganese complex. Metal ions bound to PSII proteins maintain the electron transport from water to plastoquinone and regulate the pro-oxidant and antioxidant activity in PSII. In this review, attention is focused on the role of PSII metal centers in (i) the formation of superoxide anion and hydroxyl radicals by sequential one-electron reduction of molecular oxygen and the formation of hydrogen peroxide by incomplete two-electron oxidation of water; and (ii) the elimination of superoxide anion radical by one-electron oxidation and reduction (superoxide dismutase activity) and of hydrogen peroxide by two-electron oxidation and reduction (catalase activity). The balance between the formation and elimination of reactive oxygen species by PSII metal centers is discussed as an important aspect in the prevention of photo-oxidative damage of PSII proteins and lipids. © The Author 2014. Published by Oxford University Press on behalf of Japanese Society of Plant Physiologists. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Thermophysical Property Measurements of Silicon-Transition Metal Alloys

Science.gov (United States)

Banish, R. Michael; Erwin, William R.; Sansoucie, Michael P.; Lee, Jonghyun; Gave, Matthew A.

2014-01-01

Metals and metallic alloys often have high melting temperatures and highly reactive liquids. Processing reactive liquids in containers can result in significant contamination and limited undercooling. This is particularly true for molten silicon and it alloys. Silicon is commonly termed "the universal solvent". The viscosity, surface tension, and density of several silicon-transition metal alloys were determined using the Electrostatic Levitator system at the Marshall Space Flight Center. The temperature dependence of the viscosity followed an Arrhenius dependence, and the surface tension followed a linear temperature dependence. The density of the melts, including the undercooled region, showed a linear behavior as well. Viscosity and surface tension values were obtain for several of the alloys in the undercooled region.

Experimental critical parameters of plutonium metal cylinders flooded with water

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-07-01

Forty-nine critical configurations are reported for experiments involving arrays of 3 kg plutonium metal cylinders moderated and reflected by water. Thirty-four of these describe systems assembled in the laboratory, while 15 others are derived critical parameters inferred from 46 subcritical cases. The arrays included 2x2xN, N = 2, 3, 4, and 5, in one program and 3x3x3 configurations in a later study. All were three-dimensional, nearly square arrays with equal horizontal lattice spacings but a different vertical lattice spacing. Horizontal spacings ranged from units in contact to 180 mm center-to-center; and vertical spacings ranged from about 80 mm to almost 400 mm center-to-center. Several nearly-equilateral 3x3x3 arrays exhibit an extremely sensitive dependence upon horizontal separation for identical vertical spacings. A line array of unreflected and essentially unmoderated canned plutonium metal units appeared to be well subcritical based on measurements made to assure safety during the manual assembly operations. All experiments were performed at two widely separated times in the mid-1970s and early 1980s under two programs at the Rocky Flats Plant`s Critical Mass Laboratory.

Experimental critical parameters of plutonium metal cylinders flooded with water

International Nuclear Information System (INIS)

1996-07-01

Forty-nine critical configurations are reported for experiments involving arrays of 3 kg plutonium metal cylinders moderated and reflected by water. Thirty-four of these describe systems assembled in the laboratory, while 15 others are derived critical parameters inferred from 46 subcritical cases. The arrays included 2x2xN, N = 2, 3, 4, and 5, in one program and 3x3x3 configurations in a later study. All were three-dimensional, nearly square arrays with equal horizontal lattice spacings but a different vertical lattice spacing. Horizontal spacings ranged from units in contact to 180 mm center-to-center; and vertical spacings ranged from about 80 mm to almost 400 mm center-to-center. Several nearly-equilateral 3x3x3 arrays exhibit an extremely sensitive dependence upon horizontal separation for identical vertical spacings. A line array of unreflected and essentially unmoderated canned plutonium metal units appeared to be well subcritical based on measurements made to assure safety during the manual assembly operations. All experiments were performed at two widely separated times in the mid-1970s and early 1980s under two programs at the Rocky Flats Plant's Critical Mass Laboratory

Radiation silver paramagnetic centers in a beta-alumina crystal

International Nuclear Information System (INIS)

Badalyan, A.G.; Zhitnikov, R.A.

1985-01-01

Silver paramagnetic centers in a β-alumina crystal, formed after X-ray radiation at 77 K, are investigated by the EPR method. Silver enters the β-alumina crystal, substituting sodium and potassium ions in a mirror plane. Crystals with substitution from 0.1 to 100% of alkali metal ions by Ag + ions are investigated. Silver atomic centers (Ag 0 -centers), formed by electron capture with the Ag + ion, are firstly detected and investigated in the β-alumina. Hole Ag 2+ -centers are investigated and detected in crystals with high concentration of Ag + . By studying the orientation dependence of a g-factor it is established that hole capture by the Ag + ion is accompanied by Ag 2+ ion displacement from the position, Ag + being primarity taken up (Beavers-Roth or anti- Beavers-Roth) to the position between two oxygen ions in the mirror plane

The waste minimization program at the Feed Materials Production Center

International Nuclear Information System (INIS)

Blasdel, J.E.; Crotzer, M.E.; Gardner, R.L.; Kato, T.R.; Spradlin, C.N.

1987-01-01

A waste minimization program is being implemented at the Feed Materials Production Center to reduce the generation of uranium-contaminated wastes and to comply with existing and forthcoming regulations. Procedures and plans are described which deal with process and non-process trash, contaminated wood and metals, used metal drums, and major process wastes such as contaminated magnesium fluoride and neutralized raffinate. Waste minimization techniques used include segregation, source reduction, volume reduction, material substitution and waste/product recycle. The importance of training, communication, and incentives is also covered. 5 refs., 11 figs

Investigation of fracture in pressurized gas metal arc welded beryllium

International Nuclear Information System (INIS)

Heiple, C.R.; Merlini, R.J.; Adams, R.O.

1976-01-01

Premature failures during proof testing of pressurized-gas-metal-arc (PGMA) welded beryllium assemblies were investigated. The failures were almost entirely within the beryllium (a forming grade, similar to HP-10 or S-240), close to and parallel to the weld interface. The aluminum-silicon weld filler metal deposit was not centered in the weld groove in the failed assemblies, and failure occurred on the side of the weld opposite the bias in the weld deposit. Tensile tests of welded samples demonstrated that the failures were unrelated to residual machining damage from cutting the weld groove, and indicated small lack-of-fusion areas near the weld start to be the most likely origin of the failures. Acoustic emission was monitored during tensile tests of the welds. The majority of acoustic emission was probably from crack propagation through the weld filler metal. Tensile bars cut from the region of the weld start behaved differently; they failed at lower loads and exhibited an acoustic emission behavior believed to be from cracking in the weld metal-beryllium interface. Improvement in the quality of these and similar beryllium welds can therefore most likely be made by centering the weld deposit and reducing the size of the weld start defect. 21 fig

Photochemistry and reactions of OH- defects and F centers in alkali halides

International Nuclear Information System (INIS)

Morato, S.P.; Luety, F.

1978-01-01

Aditively colored KCl:OH - crystals showed under a combined UV and VIS irradiation, a nearly complete and irreversible destruction of all F centers and visible absorption in the crystal. Only upon heating the crystal above 650 0 C the F center coloration becomes partially restored. The photodissociation of the OH - (under UV light) together with the photoionization of the F center (under VIS light) produces a not effects where all the F centers are converted into U centers. These photoreactions produces high contrast visible images that are completely stable under light at RT. Besides the optical information storage aspect of this effect these photoreaction s can also be used for controlled production of Usub(A) centers if the crystal also contains a foreign metallic impurity such a Na + ion [pt

On tension-compression asymmetry in ultrafine-grained and nanocrystalline metals

KAUST Repository

Gurses, Ercan; El Sayed, Tamer S.

2010-01-01

We present a physically motivated computational study explaining the tension/compression (T/C) asymmetry phenomenon in nanocrystalline (nc) and ultrafine-grained (ufg) face centered cubic (fcc) metals utilizing a variational constitutive model where

Uranium recovery from slags of metallic uranium

International Nuclear Information System (INIS)

Fornarolo, F.; Frajndlich, E.U.C.; Durazzo, M.

2006-01-01

The Center of the Nuclear Fuel of the Institute of Nuclear Energy Research - IPEN finished the program of attainment of fuel development for research reactors the base of Uranium Scilicet (U 3 Si 2 ) from Hexafluoride of Uranium (UF 6 ) with enrichment 20% in weight of 235 U. In the process of attainment of the league of U 3 Si 2 we have as Uranium intermediate product the metallic one whose attainment generates a slag contend Uranium. The present work shows the results gotten in the process of recovery of Uranium in slags of calcined slags of Uranium metallic. Uranium the metallic one is unstable, pyrophoricity and extremely reactive, whereas the U 3 O 8 is a steady oxide of low chemical reactivity, what it justifies the process of calcination of slags of Uranium metallic. The calcination of the Uranium slag of the metallic one in oxygen presence reduces Uranium metallic the U 3 O 8 . Experiments had been developed varying it of acid for Uranium control and excess, nitric molar concentration gram with regard to the stoichiometric leaching reaction of temperature of the leaching process. The 96,0% income proves the viability of the recovery process of slags of Uranium metallic, adopting it previous calcination of these slags in nitric way with low acid concentration and low temperature of leaching. (author)

Environmental Effects on the Metallicities of Early-Type Galaxies

Science.gov (United States)

Jones, Christine; Oliversen, Ronald (Technical Monitor)

2004-01-01

We completed and published two papers in the Astrophysical Journal based on research from grant. In the first paper we analyzed nine X-ray-bright Virgo early-type galaxies observed by both ASCA and ROSAT. Through spatially resolved spectroscopy, we determined the radial temperature profiles and abundances of Mg, Si, and Fe for six galaxies. The temperature profiles are consistent with isothermal temperatures outside of cooler regions at the galaxies' centers. We present new evidence for iron abundance gradients in NGC 4472 and NGC 4649 and confirm the previous results on NGC 4636. Mg and Si abundance gradients on average are flatter than those of iron and correspond to an underabundance of α-process elements at high Fe values, while at low iron the element ratios favor enrichment by Type II supernovae (SNe). We explain the observed trend using the metallicity dependence of SN Ia metal production and present constraints on the available theoretical modeling for low-metallicity inhibition of SNe Ia. In the second paper We analyzed nine X-ray-bright Virgo early-type galaxies observed by both ASCA and ROSAT. Through spatially resolved spectroscopy, we determined the radial temperature profiles and abundances of Mg, Si, and Fe for six galaxies. The temperature profiles are consistent with isothermal temperatures outside of cooler regions at the galaxies' centers. We present new evidence for iron abundance gradients in NGC 4472 and NGC 4649 and confirm the previous results on NGC 4636. Mg and Si abundance gradients on average are flatter than those of iron and correspond to an underabundance of α-process elements at high Fe values, while at low iron the element ratios favor enrichment by Type I1 supernovae (SNe). We explain the observed trend using the metallicity dependence of SN Ia metal production and present constraints on the available theoretical modeling for low-metallicity inhibition of SNe Ia.

Composite photocatalyst containing Eosin Y and multiwalled carbon nanotubes loaded with CuO/NiO: Mixed metal oxide as an active center of H2 evolution from water

International Nuclear Information System (INIS)

Kang Shizhao; Chen Lili; Li Xiangqing; Mu Jin

2012-01-01

A composite photocatalyst containing Eosin Y as a sensitizer, multiwalled carbon nanotubes as a supporter material or electron transfer channel, and CuO/NiO as an active center of H 2 evolution from water was fabricated and characterized with X-ray photoelectron spectroscopy and transmission electron microscope. Meanwhile, photocatalytic hydrogen evolution from water over this catalyst was explored using triethanolamine as a sacrificial reagent under visible irradiation. A rate of H 2 evolution of approximately 1.0 mmol g -1 h -1 was achieved under optimal conditions. Furthermore, for practical purposes, the photocatalytic hydrogen evolution was studied as a function of content of CuO/NiO, mass ratio of CuO to NiO, pH of solution, concentration of triethanolamine and dosage of Eosin Y, respectively. The results show that mixed metal oxides are a kind of promising active centers of H 2 evolution from water in the photocatalytic system studied.

Composite photocatalyst containing Eosin Y and multiwalled carbon nanotubes loaded with CuO/NiO: Mixed metal oxide as an active center of H2 evolution from water

Science.gov (United States)

Kang, Shi-Zhao; Chen, Lili; Li, Xiangqing; Mu, Jin

2012-06-01

A composite photocatalyst containing Eosin Y as a sensitizer, multiwalled carbon nanotubes as a supporter material or electron transfer channel, and CuO/NiO as an active center of H2 evolution from water was fabricated and characterized with X-ray photoelectron spectroscopy and transmission electron microscope. Meanwhile, photocatalytic hydrogen evolution from water over this catalyst was explored using triethanolamine as a sacrificial reagent under visible irradiation. A rate of H2 evolution of approximately 1.0 mmol g-1 h-1 was achieved under optimal conditions. Furthermore, for practical purposes, the photocatalytic hydrogen evolution was studied as a function of content of CuO/NiO, mass ratio of CuO to NiO, pH of solution, concentration of triethanolamine and dosage of Eosin Y, respectively. The results show that mixed metal oxides are a kind of promising active centers of H2 evolution from water in the photocatalytic system studied.

Increasing the Stability of Metal-Organic Frameworks

Directory of Open Access Journals (Sweden)

Mathieu Bosch

2014-01-01

Full Text Available Metal-organic frameworks (MOFs are a new category of advanced porous materials undergoing study by many researchers for their vast variety of both novel structures and potentially useful properties arising from them. Their high porosities, tunable structures, and convenient process of introducing both customizable functional groups and unsaturated metal centers have afforded excellent gas sorption and separation ability, catalytic activity, luminescent properties, and more. However, the robustness and reactivity of a given framework are largely dependent on its metal-ligand interactions, where the metal-containing clusters are often vulnerable to ligand substitution by water or other nucleophiles, meaning that the frameworks may collapse upon exposure even to moist air. Other frameworks may collapse upon thermal or vacuum treatment or simply over time. This instability limits the practical uses of many MOFs. In order to further enhance the stability of the framework, many different approaches, such as the utilization of high-valence metal ions or nitrogen-donor ligands, were recently investigated. This review details the efforts of both our research group and others to synthesize MOFs possessing drastically increased chemical and thermal stability, in addition to exemplary performance for catalysis, gas sorption, and separation.

Prospective, multi-center evaluation of a silicon carbide coated cobalt chromium bare metal stent for percutaneous coronary interventions: Two-year results of the ENERGY Registry

International Nuclear Information System (INIS)

Erbel, Raimund; Eggebrecht, Holger; Roguin, Ariel; Schroeder, Erwin; Philipp, Sebastian; Heitzer, Thomas; Schwacke, Harald; Ayzenberg, Oded; Serra, Antonio; Delarche, Nicolas; Luchner, Andreas; Slagboom, Ton

2014-01-01

Background: Novel bare metal stents with improved stent design may become a viable alternative to drug-eluting stents in certain patient groups, particularly, when long-term dual antiplatelet therapy should be avoided. Purpose: The ENERGY registry aimed to assess the safety and benefits of a cobalt–chromium thin strut bare metal stent with a passive coating in a large series of patients under real-world conditions. Methods and materials: This prospective registry recruited 1016 patients with 1074 lesions in 48 centers from April to November 2010. The primary endpoint was the rate of major adverse cardiac events (MACEs), a composite of cardiac death, myocardial infarction and clinically driven target lesion revascularization. Results: More than half of the lesions (61.0%) were type A/B1 lesions, mean lesion length was 14.5 ± 6.5 mm and mean reference vessel diameter 3.2 ± 0.5 mm. MACE rates at 6, 12 and 24 months were 4.9%, 8.1% and 9.4%, target lesion revascularization rates 2.8%, 4.9% and 5.4% and definite stent thrombosis rates 0.5%, 0.6% and 0.6%. Subgroups showed significant differences in baseline and procedural characteristics which did not translate into significantly different clinical outcomes. Specifically, MACE rates at 24 months were 13.5% in diabetics, 8.6% in small stents and 9.6% in acute coronary syndrome patients. Conclusion: The population of ENERGY reflects real-world conditions with bare metal stents being mainly used in simple lesions. In this setting, percutaneous coronary intervention using a cobalt–chromium thin strut bare metal stent with a passive coating showed very good results up to 24 months. (ClinicalTrials.gov:NCT01056120) Summary for annotated table of contents: The ENERGY international registry evaluated the safety and benefits of a cobalt–chromium thin strut bare metal stent with passive coating in 1016 patients under real-world conditions until 2 years. Results were encouraging with a low composite rate of cardiac death

Prospective, multi-center evaluation of a silicon carbide coated cobalt chromium bare metal stent for percutaneous coronary interventions: Two-year results of the ENERGY Registry

Energy Technology Data Exchange (ETDEWEB)

Erbel, Raimund, E-mail: erbel@uk-essen.de [Department of Cardiology, University of Duisburg-Essen, Essen (Germany); Eggebrecht, Holger [Cardioangiological Center Bethanien (CCB), Frankfurt (Germany); Roguin, Ariel [Department of Cardiology, Rambam Medical Center, Haifa (Israel); Schroeder, Erwin [Division of Cardiovascular Medicine, Cliniques Universitaires de Mont-Godinne, Yvoir (Belgium); Philipp, Sebastian [Department Internal Medicine/Cardiology, Elbe Klinikum Stade, Stade (Germany); Heitzer, Thomas [Department of Cardiology, Heart Center Dortmund, Dortmund (Germany); Schwacke, Harald [Department of Internal Medicine, Diakonissen-Stiftungs- Krankenhaus Speyer (Germany); Ayzenberg, Oded [The Heart Institute, Kaplan Medical Center, Rehovot (Israel); Serra, Antonio [Servicio de Cardiología, Hospital de la Santa Creu i Sant Pau, Barcelona, España (Spain); Delarche, Nicolas [Cardiology unit, Pau General Hospital, Pau (France); Luchner, Andreas [Department of Internal Medicine/Cardiology, Universitätsklinikum Regensburg (Germany); Slagboom, Ton [Department of Cardiology, Onze Lieve Vrouwe Gasthuis, Amsterdam (Netherlands)

2014-11-15

Background: Novel bare metal stents with improved stent design may become a viable alternative to drug-eluting stents in certain patient groups, particularly, when long-term dual antiplatelet therapy should be avoided. Purpose: The ENERGY registry aimed to assess the safety and benefits of a cobalt–chromium thin strut bare metal stent with a passive coating in a large series of patients under real-world conditions. Methods and materials: This prospective registry recruited 1016 patients with 1074 lesions in 48 centers from April to November 2010. The primary endpoint was the rate of major adverse cardiac events (MACEs), a composite of cardiac death, myocardial infarction and clinically driven target lesion revascularization. Results: More than half of the lesions (61.0%) were type A/B1 lesions, mean lesion length was 14.5 ± 6.5 mm and mean reference vessel diameter 3.2 ± 0.5 mm. MACE rates at 6, 12 and 24 months were 4.9%, 8.1% and 9.4%, target lesion revascularization rates 2.8%, 4.9% and 5.4% and definite stent thrombosis rates 0.5%, 0.6% and 0.6%. Subgroups showed significant differences in baseline and procedural characteristics which did not translate into significantly different clinical outcomes. Specifically, MACE rates at 24 months were 13.5% in diabetics, 8.6% in small stents and 9.6% in acute coronary syndrome patients. Conclusion: The population of ENERGY reflects real-world conditions with bare metal stents being mainly used in simple lesions. In this setting, percutaneous coronary intervention using a cobalt–chromium thin strut bare metal stent with a passive coating showed very good results up to 24 months. (ClinicalTrials.gov:NCT01056120) Summary for annotated table of contents: The ENERGY international registry evaluated the safety and benefits of a cobalt–chromium thin strut bare metal stent with passive coating in 1016 patients under real-world conditions until 2 years. Results were encouraging with a low composite rate of cardiac death

Electrokinetic treatment of an agricultural soil contaminated with heavy metals.

Science.gov (United States)

Figueroa, Arylein; Cameselle, Claudio; Gouveia, Susana; Hansen, Henrik K

2016-07-28

The high organic matter content in agricultural soils tends to complex and retain contaminants such as heavy metals. Electrokinetic remediation was tested in an agricultural soil contaminated with Co(+2), Zn(+2), Cd(+2), Cu(+2), Cr(VI), Pb(+2) and Hg(+2). The unenhanced electrokinetic treatment was not able to remove heavy metals from the soil due to the formation of precipitates in the alkaline environment in the soil section close to the cathode. Moreover, the interaction between metals and organic matter probably limited metal transportation under the effect of the electric field. Citric acid and ethylenediaminetetraacetic acid (EDTA) were used in the catholyte as complexing agents in order to enhance the extractability and removal of heavy metals from soil. These complexing agents formed negatively charged complexes that migrated towards the anode. The acid front electrogenerated at the anode favored the dissolution of heavy metals that were transported towards the cathode. The combined effect of the soil pH and the complexing agents resulted in the accumulation of heavy metals in the center of the soil specimen.

Additive Manufacturing: Reproducibility of Metallic Parts

Directory of Open Access Journals (Sweden)

Konda Gokuldoss Prashanth

2017-02-01

Full Text Available The present study deals with the properties of five different metals/alloys (Al-12Si, Cu-10Sn and 316L—face centered cubic structure, CoCrMo and commercially pure Ti (CP-Ti—hexagonal closed packed structure fabricated by selective laser melting. The room temperature tensile properties of Al-12Si samples show good consistency in results within the experimental errors. Similar reproducible results were observed for sliding wear and corrosion experiments. The other metal/alloy systems also show repeatable tensile properties, with the tensile curves overlapping until the yield point. The curves may then follow the same path or show a marginal deviation (~10 MPa until they reach the ultimate tensile strength and a negligible difference in ductility levels (of ~0.3% is observed between the samples. The results show that selective laser melting is a reliable fabrication method to produce metallic materials with consistent and reproducible properties.

On tension-compression asymmetry in ultrafine-grained and nanocrystalline metals

KAUST Repository

Gurses, Ercan

2010-12-01

We present a physically motivated computational study explaining the tension/compression (T/C) asymmetry phenomenon in nanocrystalline (nc) and ultrafine-grained (ufg) face centered cubic (fcc) metals utilizing a variational constitutive model where the nc-metal is modeled as a two-phase material consisting of a grain interior phase and a grain boundary affected zone (GBAZ). We show that the existence of voids and their growth in GBAZ renders the material pressure sensitivity due to porous plasticity and that the utilized model provides a physically sound mechanism to capture the experimentally observed T/C asymmetry in nc- and ufg-metals. © 2010 Elsevier B.V. All rights reserved.

Anomalous conductivity of calcium- and cadmium molybdates with colour centers

International Nuclear Information System (INIS)

Reut, E.G.

1983-01-01

Electrical properties of cadmium- and calcium molybdates with colour centers are considered. Electric conductivity and capacitance in the 50 to 100 kHz frequency range at temperature change from 4 to 300 K, are investigated. Temperature- and frequency dependences are described by Debye formulas. The potential distribution over the sample is investigated and a conclusion is drawn that electric characteristics are dependent on the barrier impedance which arises at the crystal-electrode metal interface. Bulk conductivity is determined using a probe technique. The CdMoO 4 electric conductivity is anomalously high and cannot be explained by ion transport CdMoO 4 with colour centers is concluded to be an impurity semiconductor. It has been foUnd that in both crystals bulk conductivity and charge layer relaxation on the contacts depend on the same centers. Center parameters are determined

City, (from Point of Organic Pollutants and Heavy Metals

Directory of Open Access Journals (Sweden)

Sajad Mazlomi

2014-03-01

Full Text Available Background: In this study quality and quantity characteristics wastewater of hospitals, clinics and health centers of Arak city and the potential impacts of them on Arak wastewater plant investigated. Methods: In this cross-sectional  study, which done during 2011-2012, the quantity and quality  of wastewater via point of COD,BOD5, pH, TKN, PO4and also heavy metals in the hospitals, clinics and health center of Arak were studied. Then, the effects of these pollutants as equal to person on wastewater convey system and wastewater treatment plant were assisted. Results: Monitoring of BOD5, TKN, and PO4 indicated that the daily disposal rate of these pollutants were equal 778.14, 102.7, and 53.6 kg/d, respectively, which equal to 15763, 51351, and 6700 person, respectively. The average water consumption of these centers was equal to 8.2l/s, and the estimated measure of produced wastewater was6.14 l/s. Also, after analysis the measure of heavy metals, Hg production (99.331 g/d was more than other heavy metals, and the next rank was related to Zn (41.96 g/d and Ag (41.96g/d, respectively. Conclusion: Although existence pretreatment process units can help to decrease the side effects of produced wastewater, this kind of wastewater needs complete treatment. Discharge of this kind wastewater to absorption trenches led to adverse health impacts in future. Therefore, a construction separate wastewater treatment plants and proper operation of these systems can reduce ecosystem impacts of wastewater discharges.

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

Energy Technology Data Exchange (ETDEWEB)

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

2014-11-15

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

Metal-conjugated affinity labels: A new concept to create enantioselective artificial metalloenzymes

KAUST Repository

Reiner, Thomas

2013-02-20

How to train a protein: Metal-conjugated affinity labels were used to selectively position catalytically active metal centers in the binding pocket of proteases. The resulting artificial metalloenzymes achieve up to 82% e.r. in the hydrogenation of ketones. The modular setup enables a rapid generation of artificial metalloenzyme libraries, which can be adapted to a broad range of catalytic conditions. 2013 The Authors.

Metal-conjugated affinity labels: A new concept to create enantioselective artificial metalloenzymes

KAUST Repository

Reiner, Thomas; Jantke, Dominik; Marziale, Alexander N.; Raba, Andreas; Eppinger, Jö rg

2013-01-01

How to train a protein: Metal-conjugated affinity labels were used to selectively position catalytically active metal centers in the binding pocket of proteases. The resulting artificial metalloenzymes achieve up to 82% e.r. in the hydrogenation of ketones. The modular setup enables a rapid generation of artificial metalloenzyme libraries, which can be adapted to a broad range of catalytic conditions. 2013 The Authors.

Magnetic states, correlation effects and metal-insulator transition in FCC lattice

Science.gov (United States)

Timirgazin, M. A.; Igoshev, P. A.; Arzhnikov, A. K.; Irkhin, V. Yu

2016-12-01

The ground-state magnetic phase diagram (including collinear and spiral states) of the single-band Hubbard model for the face-centered cubic lattice and related metal-insulator transition (MIT) are investigated within the slave-boson approach by Kotliar and Ruckenstein. The correlation-induced electron spectrum narrowing and a comparison with a generalized Hartree-Fock approximation allow one to estimate the strength of correlation effects. This, as well as the MIT scenario, depends dramatically on the ratio of the next-nearest and nearest electron hopping integrals {{t}\\prime}/t . In contrast with metallic state, possessing substantial band narrowing, insulator one is only weakly correlated. The magnetic (Slater) scenario of MIT is found to be superior over the Mott one. Unlike simple and body-centered cubic lattices, MIT is the first order transition (discontinuous) for most {{t}\\prime}/t . The insulator state is type-II or type-III antiferromagnet, and the metallic state is spin-spiral, collinear antiferromagnet or paramagnet depending on {{t}\\prime}/t . The picture of magnetic ordering is compared with that in the standard localized-electron (Heisenberg) model.

Can Electron-Rich Oxygen (O2-) Withdraw Electrons from Metal Centers? A DFT Study on Oxoanion-Caged Polyoxometalates.

Science.gov (United States)

Takazaki, Aki; Eda, Kazuo; Osakai, Toshiyuki; Nakajima, Takahito

2017-10-12

The answer to the question "Can electron-rich oxygen (O 2- ) withdraw electrons from metal centers?" is seemingly simple, but how the electron population on the M atom behaves when the O-M distance changes is a matter of controversy. A case study has been conducted for Keggin-type polyoxometalate (POM) complexes, and the first-principles electronic structure calculations were carried out not only for real POM species but also for "hypothetical" ones whose heteroatom was replaced with a point charge. From the results of natural population analysis, it was proven that even an electron-rich O 2- , owing to its larger electronegativity as a neutral atom, withdraws electrons when electron redistribution occurs by the change of the bond length. In the case where O 2- coexists with a cation having a large positive charge (e.g., P 5+ (O 2- ) 4 = [PO 4 ] 3- ), the gross electron population (GEP) on the M atom seemingly increases as the O atom comes closer, but this increment in GEP is not due to the role of the O atom but due to a Coulombic effect of the positive charge located on the cation. Furthermore, it was suggested that not GEP but net electron population (NEP) should be responsible for the redox properties.

Outcomes and complications of self-expanding metal stent placement for malignant colonic obstruction in a single-center study.

Science.gov (United States)

Stankiewicz, Rafał; Kozieł, Sławomir; Pertkiewicz, Jan; Zieniewicz, Krzysztof

2018-03-01

Approximately 20% of cases of colorectal cancer are accompanied by acute colonic obstruction. While emergency colonic surgery is associated with high mortality and morbidity rates, placement of a self-expanding metal stent (SEMS) has been suggested as an alternative method. The SEMS placement can serve as either a definitive treatment in palliative cases or a bridge to surgery. To summarize the experience of our center in the treatment of malignant colonic obstruction using SEMS placement. A retrospective review was conducted of all patients who underwent a SEMS placement for colorectal stricture in the study period. The procedures were performed under fluoroscopic guidance with colonoscopic assistance, and uncovered stents were used in all patients. The study population consisted of 28 patients treated with SEMS placement due to malignant colonic obstruction. The majority of procedures were performed with palliative intent. The overall technical success rate was 96.5%, and clinical success was achieved in all of the successfully placed SEMSs. One fatal complication due to colonic perforation occurred. In the bridge-to-surgery group, all patients experienced tumor resection with no stoma creation. The SEMS placement is an optimal treatment in the vast majority of acute colonic obstruction cases. Due to the possibility of potentially fatal complications, SEMS procedures should be performed by proficient endoscopists.

Defect formation and desorption of metal atoms from alkali halide crystals under low energy electron bombardment studied by optical absorption and mass spectroscopy

International Nuclear Information System (INIS)

Seifert, N.R.

1993-04-01

This work presents an extensive investigation of electronically induced desorption of ground-state alkali atoms from alkali halides and for the first time correlates directly the desorption with the stability and spatial distribution of the defects formed during bombardment. The electron impact results in the formation of stable F-centers and F-center clusters in the bulk of the crystals. In striking contrast a significant metallization of the surface is observed. Even at temperatures as low as 90 deg C the metallization is achieved within the time resolution of our detection system, which can only be explained by the rapid diffusion of hot holes. Superimposed to the fast and short diffusion of hot holes is the slow F-center diffusion. Measuring the distribution of defects with low energy ion sputtering techniques indicates that at least in the case of LiF the observed diffusion constant of F-centers agrees with values derived by using methods different from that applied here. At low temperatures the formation of F-center clusters and metal on the surface dominates. Colloid formation clearly requires higher temperatures (typically around 200 deg C). This is a strong evidence that efficient F-center diffusion is necessary for the formation of metallic particles (colloids) in the bulk of the crystals. Desorption of alkali atoms from alkali halides at temperatures around room temperature is due to weakly bound alkali atoms. For elevated temperatures the stability of the metallic clusters in the bulk of the crystals (i.e. colloids) are the rate limiting process. (author)

Surface relaxation and surface energy of face –centered Cubic ...

African Journals Online (AJOL)

DR. MIKE HORSFALL

Surface relaxation and surface energy of face –centered Cubic metals. 1AGHEMENLO H E; *2IYAYI, S E; 3AVWIRI ,G O. 1, 3 Department of Physics, Ambrose Alli University, Ekpoma, Nigeria. 2 Department of Physics, University of Benin, Benin City, Nigeria. 3 Department of Physics, University of Port Harcourt, PH, Nigeria.

Evaluation of sediment trace metal records as paleoproductivity and paleoxygenation proxies in the upwelling center off Concepción, Chile (36°S)

Science.gov (United States)

Muñoz, Praxedes; Dezileau, Laurent; Lange, Carina; Cardenas, Lissette; Sellanes, Javier; Salamanca, Marco A.; Maldonado, Antonio

2012-01-01

This study analyzes the records of several trace metals sensitive to redox conditions in continental shelf sediments off Concepción, Chile (36°S). The continental margin off Concepción (36°S; 73°W) lies beneath an important upwelling center characterized by high primary production rates and, consequently, high fluxes of organic matter. In spring and summer, this material settles to the seafloor where it decays, producing periods of very low oxygen content in bottom waters (oxygen minimum zone develops at ∼100-400 m water depth, where dissolved oxygen levels are oxygen at the bottom increases drastically (>1 mL L -1). The goals of this study were to determine the input of trace metals to the sediment and to decipher how this information can be used to reveal variations in primary productivity or bottom oxygenation. Gravity cores collected at two stations - VG06-2 over the mid-shelf station (88 m water depth, upper boundary of the oxygen minimum zone) and VG06-3 over the outer shelf (120 m water depth, within the oxygen minimum zone) - were sampled for high resolution profiles (1 cm) of trace metals, biogenic opal, stable isotopes, and total organic carbon. The results suggest that the variability in the trace metal distribution on the continental shelf off Concepción is determined by redox conditions and the organic carbon flux to the bottom. Some sections of the sediment cores from the outer shelf showed appreciable authigenic enrichment of U, Cd, and Mo (EF: 5-10, 2-5, and 10-16 respectively) along with heavier values of δ 15N, suggesting periods of suboxic conditions. During these periods, fluxes of organic material to the bottom were higher, as indicated by elevated TOC and opal contents. Alternating periods of higher and lower trace metal contents were not observed mid-shelf as they were on the outer shelf. Rather, the mid-shelf samples showed authigenic enrichment of U, Cd, and Mo (EF: 1-6, 4-5, and 10-20, respectively) throughout the core except in a

Possible evidence for metal accretion onto the surfaces of metal-poor main-sequence stars

Energy Technology Data Exchange (ETDEWEB)

Hattori, Kohei; Yoshii, Yuzuru [Institute of Astronomy, School of Science, University of Tokyo, 2-21-1 Osawa, Mitaka, Tokyo 181-0015 (Japan); Beers, Timothy C. [National Optical Astronomy Observatories, Tucson, AZ 85719 (United States); Carollo, Daniela [Department of Physics and Astronomy, Macquarie University, Sydney, 2109 NSW (Australia); Lee, Young Sun, E-mail: khattori@ioa.s.u-tokyo.ac.jp [Department of Astronomy, New Mexico State University, Las Cruces, NM 88003 (United States)

2014-04-01

The entire evolution of the Milky Way, including its mass-assembly and star-formation history, is imprinted onto the chemo-dynamical distribution function of its member stars, f(x, v, [X/H]), in the multi-dimensional phase space spanned by position, velocity, and elemental abundance ratios. In particular, the chemo-dynamical distribution functions for low-mass stars (e.g., G- or K-type dwarfs) are precious tracers of the earliest stages of the Milky Way's formation, since their main-sequence lifetimes approach or exceed the age of the universe. A basic tenet of essentially all previous analyses is that the stellar metallicity, usually parameterized as [Fe/H], is conserved over time for main-sequence stars (at least those that have not been polluted due to mass transfer from binary companions). If this holds true, any correlations between metallicity and kinematics for long-lived main-sequence stars of different masses, effective temperatures, or spectral types must strictly be the same, since they reflect the same mass-assembly and star-formation histories. By analyzing a sample of nearby metal-poor halo and thick-disk stars on the main sequence, taken from Data Release 8 of the Sloan Digital Sky Survey, we find that the median metallicity of G-type dwarfs is systematically higher (by about 0.2 dex) than that of K-type dwarfs having the same median rotational velocity about the Galactic center. If it can be confirmed, this finding may invalidate the long-accepted assumption that the atmospheric metallicities of long-lived stars are conserved over time.

Composite photocatalyst containing Eosin Y and multiwalled carbon nanotubes loaded with CuO/NiO: Mixed metal oxide as an active center of H{sub 2} evolution from water

Energy Technology Data Exchange (ETDEWEB)

Kang Shizhao [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China); Chen Lili [Key Laboratory for Ultrafine Materials of the Ministry of Education, School of Chemistry and Molecular Engineering, East China University of Science and Technology, 130 Meilong Road, Shanghai 200237 (China); Li Xiangqing [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China); Mu Jin, E-mail: mujin@sit.edu.cn [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China)

2012-06-01

A composite photocatalyst containing Eosin Y as a sensitizer, multiwalled carbon nanotubes as a supporter material or electron transfer channel, and CuO/NiO as an active center of H{sub 2} evolution from water was fabricated and characterized with X-ray photoelectron spectroscopy and transmission electron microscope. Meanwhile, photocatalytic hydrogen evolution from water over this catalyst was explored using triethanolamine as a sacrificial reagent under visible irradiation. A rate of H{sub 2} evolution of approximately 1.0 mmol g{sup -1} h{sup -1} was achieved under optimal conditions. Furthermore, for practical purposes, the photocatalytic hydrogen evolution was studied as a function of content of CuO/NiO, mass ratio of CuO to NiO, pH of solution, concentration of triethanolamine and dosage of Eosin Y, respectively. The results show that mixed metal oxides are a kind of promising active centers of H{sub 2} evolution from water in the photocatalytic system studied.

Tribology and wear of metal-on-metal hip prostheses: influence of cup angle and head position.

Science.gov (United States)

Williams, Sophie; Leslie, Ian; Isaac, Graham; Jin, Zhongmin; Ingham, Eileen; Fisher, John

2008-08-01

Clinical studies have indicated that the angular position of the acetabular cup may influence wear in metal-on-metal total hip bearings. A high cup angle in comparison to the anatomical position may lead to the head being constrained by the superior lateral surface and rim of the cup, thus potentially changing the location of the contact zone between the head and the cup. The aim of this study was to test the hypothesis that both a steep cup angle and a lateralized position of the head can increase head contact on the superior rim of the cup, with the consequence of increased wear. Hip-joint simulator studies of metal-on-metal bearings were undertaken with cup angles of 45 degrees and 55 degrees . The femoral head was either aligned to the center of the cup or placed in a position of microlateralization. Wear was measured gravimetrically over 5 million cycles. A steep cup angle of 55 degrees showed significantly higher long-term steady-state wear than a standard cup angle of 45 degrees (p < 0.01). The difference was fivefold. Microlateralization of the head resulted in a fivefold increase in steady-state wear compared with a centralized head. The combination of a steep cup angle and a microlateralized head increased the steady-state wear rate by tenfold compared with a standard cup angle with a centralized head. These studies support the hypothesis that both an increased cup angle and a lateral head position increase wear in metal-on-metal hip prostheses.

Influence of a hydrostatic pressure on the diffusion in metals having a cubic structure

International Nuclear Information System (INIS)

Beyeler, M.

1969-01-01

In view of obtaining informations on the structure of vacancies. We have determined, by diffusion experiments under high pressure, the activation volumes for self diffusion in different face centered cubic metals: silver, gold, copper, aluminium and in body centered cubic uranium (gamma phase). Activation volumes for noble metals diffusion in aluminium have also been investigated. The experimental results on gold, silver and copper are in good agreement with most of the theoretical models. The estimated activation volume for gamma uranium seems to indicate a vacancy mechanism.The results on aluminium for both self and impurity diffusion agree quite well with Friedel's theoretical predictions [fr

Layered Metal Hydroxides Containing Calcium and Their Structural Analysis

Energy Technology Data Exchange (ETDEWEB)

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

2012-06-15

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

NANOSTRUCTURED METAL OXIDE CATALYSTS VIA BUILDING BLOCK SYNTHESES

Energy Technology Data Exchange (ETDEWEB)

Craig E. Barnes

2013-03-05

A broadly applicable methodology has been developed to prepare new single site catalysts on silica supports. This methodology requires of three critical components: a rigid building block that will be the main structural and compositional component of the support matrix; a family of linking reagents that will be used to insert active metals into the matrix as well as cross link building blocks into a three dimensional matrix; and a clean coupling reaction that will connect building blocks and linking agents together in a controlled fashion. The final piece of conceptual strategy at the center of this methodology involves dosing the building block with known amounts of linking agents so that the targeted connectivity of a linking center to surrounding building blocks is obtained. Achieving targeted connectivities around catalytically active metals in these building block matrices is a critical element of the strategy by which single site catalysts are obtained. This methodology has been demonstrated with a model system involving only silicon and then with two metal-containing systems (titanium and vanadium). The effect that connectivity has on the reactivity of atomically dispersed titanium sites in silica building block matrices has been investigated in the selective oxidation of phenols to benezoquinones. 2-connected titanium sites are found to be five times as active (i.e. initial turnover frequencies) than 4-connected titanium sites (i.e. framework titanium sites).

NASA Space Engineering Research Center for VLSI systems design

Science.gov (United States)

1991-01-01

This annual review reports the center's activities and findings on very large scale integration (VLSI) systems design for 1990, including project status, financial support, publications, the NASA Space Engineering Research Center (SERC) Symposium on VLSI Design, research results, and outreach programs. Processor chips completed or under development are listed. Research results summarized include a design technique to harden complementary metal oxide semiconductors (CMOS) memory circuits against single event upset (SEU); improved circuit design procedures; and advances in computer aided design (CAD), communications, computer architectures, and reliability design. Also described is a high school teacher program that exposes teachers to the fundamentals of digital logic design.

A computational study of adsorption of divalent metal ions on graphene oxide

Directory of Open Access Journals (Sweden)

Somphob Thompho

2017-12-01

Full Text Available Adsorption of divalent metal ions (Pb2+,Cd2+, Zn2+,Cu2+ on graphene oxide (GO was studied using density functional theory (DFT. Adsorption geometries and energies, as well as the nature of the binding energy, were calculated for the interaction of divalent metal ions with oxygen-containing groups on the surface of GO. The configurations of the complexes were modeled by placing the divalent metal ions above the center and perpendicular to the surface. Binding of Cu2+ to the GO sheet was predicted to be much stronger than that for other divalent metal ions. Calculated results show good agreement with experimental observations and provide useful information for environmental pollution cleanup.

Complexation-induced supramolecular assembly drives metal-ion extraction.

Science.gov (United States)

Ellis, Ross J; Meridiano, Yannick; Muller, Julie; Berthon, Laurence; Guilbaud, Philippe; Zorz, Nicole; Antonio, Mark R; Demars, Thomas; Zemb, Thomas

2014-09-26

Combining experiment with theory reveals the role of self-assembly and complexation in metal-ion transfer through the water-oil interface. The coordinating metal salt Eu(NO3)3 was extracted from water into oil by a lipophilic neutral amphiphile. Molecular dynamics simulations were coupled to experimental spectroscopic and X-ray scattering techniques to investigate how local coordination interactions between the metal ion and ligands in the organic phase combine with long-range interactions to produce spontaneous changes in the solvent microstructure. Extraction of the Eu(3+)-3(NO3(-)) ion pairs involves incorporation of the "hard" metal complex into the core of "soft" aggregates. This seeds the formation of reverse micelles that draw the water and "free" amphiphile into nanoscale hydrophilic domains. The reverse micelles interact through attractive van der Waals interactions and coalesce into rod-shaped polynuclear Eu(III) -containing aggregates with metal centers bridged by nitrate. These preorganized hydrophilic domains, containing high densities of O-donor ligands and anions, provide improved Eu(III) solvation environments that help drive interfacial transfer, as is reflected by the increasing Eu(III) partitioning ratios (oil/aqueous) despite the organic phase approaching saturation. For the first time, this multiscale approach links metal-ion coordination with nanoscale structure to reveal the free-energy balance that drives the phase transfer of neutral metal salts. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Segregation of metals-containing wastewater by pH

International Nuclear Information System (INIS)

Taylor, P.A.; McTaggart, D.R.

1990-10-01

A pH-based sampling system has shown that there is a high correlation between low pH and metals contamination for the wastewater from the 4500 area (manhole 190) and the 2000 area (pump station). Wastewater from the Radiochemical Engineering Development Center (REDC) and the High Flux Isotope Reactor (HFIR) has not shown any metals concentrations above the National Pollutant Discharge Elimination System (NPDES) permit limits for the Nonradiological Wastewater Treatment Plant (NRWTP). It is recommended that pH be used as the diversion criteria for wastewater from manhole 190 and the pump station to be sent to the metals tank of the NRWTP. Any wastewater with a pH less than 6.0 or greater than 10.0 should be sent to the metals tank. Based on the results of 29 weeks of sampling, it is expected that on the order of 36m 3 /wk (9500 gal/wk) of wastewater will be diverted to the metals tank of the NRWTP. Wastewater from REDC and HFIR can be sent to the nonmetals tank, but it should be sampled periodically and analyzed by Inductively Coupled Plasma (ICP) spectrophotometer to confirm that the metals concentration is not increasing. 1 ref., 2 figs., 9 tabs

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

Science.gov (United States)

Tan, Kui

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

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

International Nuclear Information System (INIS)

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

2007-01-01

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

Investigation of irradiation strengthening of bcc metals and their alloys. Progress report, January 1977--October 1977

International Nuclear Information System (INIS)

1977-01-01

Progress is reported in the areas of (a) the effect of neutron damage on the dislocation kinetics in bcc metals and their alloys, and (b) the effect of 3 He on the deformation characteristics of body centered cubic metals and their alloys. Results obtained from these projects are discussed

Metallated metal-organic frameworks

Energy Technology Data Exchange (ETDEWEB)

Bury, Wojciech; Farha, Omar K.; Hupp, Joseph T.; Mondloch, Joseph E.

2017-08-22

Porous metal-organic frameworks (MOFs) and metallated porous MOFs are provided. Also provided are methods of metallating porous MOFs using atomic layer deposition and methods of using the metallated MOFs as catalysts and in remediation applications.

Inorganic metal settlement in fuel tanks and their environmental effect for disposal

International Nuclear Information System (INIS)

Malana, M.A.; Nadeem, M.

2000-01-01

Air-quality or, more precisely, the health and environmental consequences of poor air-quality are currently the center of great deal of attention from media, pressure groups and government. Usage of petroleum-sludge, after its disposal, is also a cause of air pollution. The sludge is generally used for burning small local industrial and brick-kilns, without any preventive measures. This study is based on the estimation of trace-metal concentrations in petroleum sludge, which are emitting sulphur and metal contents into the environment, unknowingly. It is also noted that the concentration-ratio of metal-contents is higher in sludge samples. (author)

Supramolecular assembly of group 11 phosphorescent metal complexes for chemosensors of alcohol derivatives

Science.gov (United States)

Lintang, H. O.; Ghazalli, N. F.; Yuliati, L.

2018-04-01

We report on systematic study on vapochromic sensing of ethanol by using phosphorescent trinuclear metal pyrazolate complexes with supramolecular assembly of weak intermolecular metal-metal interactions using 4-(3,5-dimethoxybenzyl)-3,5-dimethyl pyrazole ligand (1) and group 11 metal ions (Cu(I), Ag(I), Au(I)). Upon excitation at 284, the resulting complexes showed emission bands with a peak centered at 616, 473 and 612 nm for 2(Cu), 2(Ag) and 2(Au), respectively. Chemosensor 2(Cu) showed positive response to ethanol vapors in 5 mins by blue-shifting its emission band from 616 to 555 nm and emitting bright orange to green. Otherwise 2(Au) gave shifting from its emission band centered at 612 to 587 nm with Δλ of 25 nm (41%) and color changes from red-orange to light green-orange while 2(Ag) showed quenching in its original emission intensity at 473 nm in 40% with color changes from dark green to less emissive. These results demonstrate that sensing capability of chemosensor 2(Cu) with suitable molecular design of ligand and metal ion in the complex is due to the formation of a weak intermolecular hydrogen bonding interaction of O atom at the methoxy of the benzyl ring with the OH of the vapors at the outside of the molecules.

Influence of neutron irradiation on ferromagnetic metallic glasses

International Nuclear Information System (INIS)

Miglierini, M.; Nasu, Saburo; Sitek, J.

1992-01-01

Transmission 57 Fe Moessbauer spectroscopy is used to study effects of neutron irradiation on magnetic properties of Fe-based ferromagnetic metallic glasses. Elastic stress centers are produced during the process of neutron irradiation as a result of atom mixing. Rearrangement of the atoms causes changes in the average value of the hyperfine field distribution and orientation of the net magnetic moment. They are shown to depend on the composition of the investigated samples. Cr-doped metallic glasses depict transformation from ferromagnetic to paramagnetic state at room temperature after neutron irradiation implying changes in the Curie temperature. Presence of Ni in the samples reduces the effects of radiation damage. (orig.)

Heavy Metal Pollution Around International Hatay Airport

Directory of Open Access Journals (Sweden)

Abdullah Özkan

2017-02-01

Full Text Available In this study, it was aimed to determine the heavy metal pollution in the agricultural lands around Hatay airport and travel possible alteration in the amount of heavy metal on the land in accordance with the distance to the airport. For this purpose, the airport was chosen as the center and 27 soil samples were obtained around the airport at 2 km intervals in depth ranging from 0 to 30 cm. Lead (Pb, cadmium (Cd, nickel (Ni, chrome (Cr, cobalt (Co, aluminium (Al, iron (Fe, copper (Cu, manganese (Mn and zinc (Zn elements in soil samples were analysed using MP-AES instrument by DTPA method. (3 repetition for each sample. As a result of the analysis, heavy metal concentrations were found as Pb 0-1.45 mg/kg, Cd 0-0.220 mg/kg, Ni 0-3.95 mg/kg, Cr 0-0.780 mg/kg, Co 0-0.270 mg/kg, Al 0-0.700 mg/kg, Fe 1.47- 16.2 mg/kg, Cu 0.400-5.35 mg/kg, Mn 0-19 mg/kg and Zn 0.050-3.14 mg/kg. When comparing the obtained data through this study with allowable concentrations of heavy metals in soil of Environment and Forest Directorates Guidance, it was determined that the heavy metal concentration of the soil does not pose any problems in terms of heavy metal pollution. Besides, iron concentration was decreased when the distance to the airport is increased.

Wetting and spreading behavior of molten brazing filler metallic alloys on metallic substrate

Science.gov (United States)

Kogi, Satoshi; Kajiura, Tetsurou; Hanada, Yukiakira; Miyazawa, Yasuyuki

2014-08-01

Wetting and spreading of molten brazing filler material are important factors that influence the brazing ability of a joint to be brazed. Several investigations into the wetting ability of a brazing filler alloy and its surface tension in molten state, in addition to effects of brazing time and temperature on the contact angle, have been carried out. In general, dissimilar-metals brazing technology and high-performance brazed joint are necessities for the manufacturing field in the near future. Therefore, to address this requirement, more such studies on wetting and spreading of filler material are required for a deeper understanding. Generally, surface roughness and surface conditions affect spreading of molten brazing filler material during brazing. Wetting by and interfacial reactions of the molten brazing filler material with the metallic substrate, especially, affect strongly the spreading of the filler material. In this study, the effects of surface roughness and surface conditions on the spreading of molten brazing filler metallic alloys were investigated. Ag-(40-x)Cu-xIn and Ag- (40-x)Cu-xSn (x=5, 10, 15, 20, 25) alloys were used as brazing filler materials. A mild-steel square plate (S45C (JIS); side: 30 mm; thickness: 3mm) was employed as the substrate. A few surfaces with varying roughness were prepared using emery paper. Brazing filler material and metallic base plate were first washed with acetone, and then a flux was applied to them. The filler, 50 mg, was placed on the center of the metallic base with the flux. A spreading test was performed under Ar gas using an electrically heated furnace, after which, the original spreading area, defined as the sessile drop area, and the apparent spreading area, produced by the capillary grooves, were both evaluated. It was observed that the spreading area decreased with increasing In and Sn content.

Chemical rescue of the post-translationally carboxylated lysine mutant of allantoinase and dihydroorotase by metal ions and short-chain carboxylic acids.

Science.gov (United States)

Ho, Ya-Yeh; Huang, Yen-Hua; Huang, Cheng-Yang

2013-04-01

Bacterial allantoinase (ALLase) and dihydroorotase (DHOase) are members of the cyclic amidohydrolase family. ALLase and DHOase possess similar binuclear metal centers in the active site in which two metals are bridged by a post-translationally carboxylated lysine. In this study, we determined the effects of carboxylated lysine and metal binding on the activities of ALLase and DHOase. Although DHOase is a metalloenzyme, purified DHOase showed high activity without additional metal supplementation in a reaction mixture or bacterial culture. However, unlike DHOase, ALLase had no activity unless some specific metal ions were added to the reaction mixture or culture. Substituting the metal binding sites H59, H61, K146, H186, H242, or D315 with alanine completely abolished the activity of ALLase. However, the K146C, K146D and K146E mutants of ALLase were still active with about 1-6% activity of the wild-type enzyme. These ALLase K146 mutants were found to have 1.4-1.7 mol metal per mole enzyme subunit, which may indicate that they still contained the binuclear metal center in the active site. The activity of the K146A mutant of the ALLase and the K103A mutant of DHOase can be chemically rescued by short-chain carboxylic acids, such as acetic, propionic, and butyric acids, but not by ethanol, propan-1-ol, and imidazole, in the presence of Co2+ or Mn2+ ions. However, the activity was still ~10-fold less than that of wild-type ALLase. Overall, these results indicated that the 20 natural basic amino acid residues were not sufficiently able to play the role of lysine. Accordingly, we proposed that during evolution, the post-translational modification of carboxylated lysine in the cyclic amidohydrolase family was selected for promoting binuclear metal center self-assembly and increasing the nucleophilicity of the hydroxide at the active site for enzyme catalysis. This kind of chemical rescue combined with site-directed mutagenesis may also be used to identify a binuclear metal

Basic criteria for formation of growth twins in high stacking fault energy metals

International Nuclear Information System (INIS)

Yu, K. Y.; Zhang, X.; Bufford, D.; Chen, Y.; Liu, Y.; Wang, H.

2013-01-01

Nanotwinned metals received significant interest lately as twin boundaries may enable simultaneous enhancement of strength, ductility, thermal stability, and radiation tolerance. However, nanotwins have been the privilege of metals with low-to-intermediate stacking fault energy (SFE). Recent scattered studies show that nanotwins could be introduced into high SFE metals, such as Al. In this paper, we examine several sputter-deposited, (111) textured Ag/Al, Cu/Ni, and Cu/Fe multilayers, wherein growth twins were observed in Al, Ni, and face-centered cubic (fcc) Fe. The comparisons lead to two important design criteria that dictate the introduction of growth twins in high SFE metals. The validity of these criteria was then examined in Ag/Ni multilayers. Furthermore, another twin formation mechanism in high SFE metals was discovered in Ag/Ni system

Assessing for Cardiotoxicity from Metal-on-Metal Hip Implants with Advanced Multimodality Imaging Techniques.

Science.gov (United States)

Berber, Reshid; Abdel-Gadir, Amna; Rosmini, Stefania; Captur, Gabriella; Nordin, Sabrina; Culotta, Veronica; Palla, Luigi; Kellman, Peter; Lloyd, Guy W; Skinner, John A; Moon, James C; Manisty, Charlotte; Hart, Alister J

2017-11-01

High failure rates of metal-on-metal (MoM) hip implants prompted regulatory authorities to issue worldwide safety alerts. Circulating cobalt from these implants causes rare but fatal autopsy-diagnosed cardiotoxicity. There is concern that milder cardiotoxicity may be common and underrecognized. Although blood metal ion levels are easily measured and can be used to track local toxicity, there are no noninvasive tests for organ deposition. We sought to detect correlation between blood metal ions and a comprehensive panel of established markers of early cardiotoxicity. Ninety patients were recruited into this prospective single-center blinded study. Patients were divided into 3 age and sex-matched groups according to implant type and whole-blood metal ion levels. Group-A patients had a ceramic-on-ceramic [CoC] bearing; Group B, an MoM bearing and low blood metal ion levels; and Group C, an MoM bearing and high blood metal-ion levels. All patients underwent detailed cardiovascular phenotyping using cardiac magnetic resonance imaging (CMR) with T2*, T1, and extracellular volume mapping; echocardiography; and cardiac blood biomarker sampling. T2* is a novel CMR biomarker of tissue metal loading. Blood cobalt levels differed significantly among groups A, B, and C (mean and standard deviation [SD], 0.17 ± 0.08, 2.47 ± 1.81, and 30.0 ± 29.1 ppb, respectively) and between group A and groups B and C combined. No significant between-group differences were found in the left atrial or ventricle size, ejection fraction (on CMR or echocardiography), T1 or T2* values, extracellular volume, B-type natriuretic peptide level, or troponin level, and all values were within normal ranges. There was no relationship between cobalt levels and ejection fraction (R = 0.022, 95% confidence interval [CI] = -0.185 to 0.229) or T2* values (R = 0.108, 95% CI = -0.105 to 0.312). Using the best available technologies, we did not find that high (but not extreme) blood cobalt and chromium levels

Statistic derivation of Taylor factors for polycrystalline metals with application to pure magnesium

International Nuclear Information System (INIS)

Shen, J.H.; Li, Y.L.; Wei, Q.

2013-01-01

We have investigated the Taylor factors of textured as well as texture-free polycrystalline aggregates. We begin with examining the Schmid factors of single crystals. A statistical model is then introduced to describe the distribution of grain orientations as well as the Schmid factor of individual grains of the polycrystalline system. The grains are classified into “soft” and “hard” ones. Based on this, a model is proposed for the derivation of the Taylor factors of textured as well as texture-free polycrystalline metals, and as a case study it is applied to polycrystalline magnesium. The model predictions are in very good agreement with the available experimental results. No free parameters have been involved in the development of this model, and the physical processes are clearly defined. Based on the fundamental assumption that grains can be classified into “soft” and “hard” in metals, this model should also be applicable to other hexagonal close packed metals such as α-titanium, beryllium and zirconium, as well as metals of other lattice structures such as face-centered cubic and body-centered cubic. It will also be interesting to see if this model can be incorporated into existing crystal plasticity models for the prediction of texture evolution under mechanical loading

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

Science.gov (United States)

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

2017-04-26

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

Modular assembly of low-dimensional coordination architectures on metal surfaces

International Nuclear Information System (INIS)

Stepanow, Sebastian; Lin, Nian; Barth, Johannes V

2008-01-01

The engineering of highly organized molecular architectures has attracted strong interest because of its potential for novel materials and functional nanoscopic devices. An important factor in the development, integration, and exploitation of such systems is the capability to prepare them on surfaces or in nanostructured environments. Recent advances in supramolecular design on metal substrates provide atomistic insight into the underlying self-assembly processes, mainly by scanning tunneling microscopy observations. This review summarizes progress in noncovalent synthesis strategies under ultra-high vacuum conditions employing metal ions as coordination centers directing the molecular organization. The realized metallosupramolecular compounds and arrays combine the properties of their constituent metal ions and organic ligands, and present several attractive features: their redox, magnetic and spin-state transitions. The presented exemplary molecular level studies elucidate the arrangement of organic adsorbates on metal surfaces, demonstrating the interplay between intermolecular and molecule-substrate interactions that needs to be controlled for the fabrication of low-dimensional structures. The understanding of metallosupramolecular organization and metal-ligand interactions on solid surfaces is important for the control of structure and concomitant function

Method of producing homogeneous mixed metal oxides and metal-metal oxide mixtures

International Nuclear Information System (INIS)

Quinby, T.C.

1980-01-01

A method for preparing particulate metal or metal oxide of controlled partile size comprises contacting an an aqueous solution containing dissolved metal values with excess urea at a temperature sufficient to cause urea to react with water to provide a molten urea solution containing the metal values; heating the molten urea solution to cause the metal values to precipitate, forming a mixture containing precipitated metal values; heating the mixture containing precipitated metal values to evaporate volatile material leaving a dry powder containing said metal values. The dry powder can be calcined to provide particulate metal oxide or reduced to provide particulate metal. Oxide mixtures are provided when the aqueous solution contains values of more than one metal. Homogeneousmetal-metal oxide mistures for preparing cermets can be prepared by selectively reducing at least one of the metal oxides. (auth)

Highly Fluorescent Group 13 Metal Complexes with Cyclic, Aromatic Hydroxamic Acid Ligands

Energy Technology Data Exchange (ETDEWEB)

Seitz, Michael; Moore, Evan G.; Raymond, Kenneth N.

2008-02-11

The neutral complexes of two ligands based on the 1-oxo-2-hydroxy-isoquinoline (1,2-HOIQO) motif with group 13 metals (Al, Ga, In) show bright blue-violet luminescence in organic solvents. The corresponding transition can be attributed to ligand-centered singlet emission, characterized by a small Stokes shifts of only a few nm combined with lifetimes in the range between 1-3 ns. The fluorescence efficiency is high, with quantum yields of up to 37% in benzene solution. The crystal structure of one of the indium(III) complexes (trigonal space group R-3, a = b = 13.0384(15) {angstrom}, c = 32.870(8) {angstrom}, ? = {beta} = 90{sup o}, {gamma} = 120{sup o}, V = 4839.3(14) {angstrom}{sup 3}, Z = 6) shows a six-coordinate geometry around the indium center which is close to trigonal-prismatic, with a twist angle between the two trigonal faces of 20.7{sup o}. Time-dependent density functional theory (TD-DFT) calculations (Al and Ga: B3LYP/6-31G(d)); In: B3LYP/LANL2DZ of the fac and mer isomers with one of the two ligands indicate that there is no clear preference for either one of the isomeric forms of the metal complexes. In addition, the metal centers do not have a significant influence on the electronic structure, and as a consequence, on the predominant intraligand optical transitions.

Angular detector of defects in a metallic tube by eddy currents

International Nuclear Information System (INIS)

Broudeur, R.

1990-01-01

The angular detector of defects in a metallic tube has two centering pieces for the clad positioning on both sides of a backing ring of the measuring coil. The inner diameter of the backing ring and the diameter of the centering pieces are in the ratio 4/3±0.6/3 and their axis are eccentric. This setting over associated at the guiding piece of the sheath in rotation gives at the measuring coil a functioning as a ponctual probe [fr

Method of producing homogeneous mixed metal oxides and metal--metal oxide mixtures

International Nuclear Information System (INIS)

Quinby, T.C.

1978-01-01

Metal powders, metal oxide powders, and mixtures thereof of controlled particle size are provided by reacting an aqueous solution containing dissolved metal values with excess urea. Upon heating, urea reacts with water from the solution to leave a molten urea solution containing the metal values. The molten urea solution is heated to above about 180 0 C, whereupon metal values precipitate homogeneously as a powder. The powder is reduced to metal or calcined to form oxide particles. One or more metal oxides in a mixture can be selectively reduced to produce metal particles or a mixture of metal and metal oxide particles

Metallothionein as biomarker of mussel exposure to heavy metals

International Nuclear Information System (INIS)

Raspor, B.; Erk, M.; Pavicic, J.; Juric, D.; Kwokal, Z.; Odzak, N.

1999-01-01

The biological effect of marine pollution with heavy metals is followed in bivalves by means of the induced amount of metallothioneins (MTs), determined in different tissue types. The biological effect of the available toxic metals, cadmium and mercury, are related to the amount of MTs in the whole edible part, gills and the digestive gland of Mytilus galloprovincialis. For that purpose highly sensitive chemical and biochemical methods for metal and metallothionein content determination were developed and applied. The study was conducted in the Kastela Bay, which is the urban and industrial center of Dalmatia, Croatia, with two groups of mussels, indigenous and the transplanted. In accordance with the objective of the Symposium the results on monitoring the marine pollution by means of MTs as a biomarker, isolated from the edible, sessile and filter-feeding bivalves are discussed. (author)

Determination of the nitrogen vacancy as a shallow compensating center in GaN doped with divalent metals.

Science.gov (United States)

Buckeridge, J; Catlow, C R A; Scanlon, D O; Keal, T W; Sherwood, P; Miskufova, M; Walsh, A; Woodley, S M; Sokol, A A

2015-01-09

We report accurate energetics of defects introduced in GaN on doping with divalent metals, focusing on the technologically important case of Mg doping, using a model that takes into consideration both the effect of hole localization and dipolar polarization of the host material, and includes a well-defined reference level. Defect formation and ionization energies show that divalent dopants are counterbalanced in GaN by nitrogen vacancies and not by holes, which explains both the difficulty in achieving p-type conductivity in GaN and the associated major spectroscopic features, including the ubiquitous 3.46 eV photoluminescence line, a characteristic of all lightly divalent-metal-doped GaN materials that has also been shown to occur in pure GaN samples. Our results give a comprehensive explanation for the observed behavior of GaN doped with low concentrations of divalent metals in good agreement with relevant experiment.

Determination of the Nitrogen Vacancy as a Shallow Compensating Center in GaN Doped with Divalent Metals

Science.gov (United States)

Buckeridge, J.; Catlow, C. R. A.; Scanlon, D. O.; Keal, T. W.; Sherwood, P.; Miskufova, M.; Walsh, A.; Woodley, S. M.; Sokol, A. A.

2015-01-01

We report accurate energetics of defects introduced in GaN on doping with divalent metals, focusing on the technologically important case of Mg doping, using a model that takes into consideration both the effect of hole localization and dipolar polarization of the host material, and includes a well-defined reference level. Defect formation and ionization energies show that divalent dopants are counterbalanced in GaN by nitrogen vacancies and not by holes, which explains both the difficulty in achieving p -type conductivity in GaN and the associated major spectroscopic features, including the ubiquitous 3.46 eV photoluminescence line, a characteristic of all lightly divalent-metal-doped GaN materials that has also been shown to occur in pure GaN samples. Our results give a comprehensive explanation for the observed behavior of GaN doped with low concentrations of divalent metals in good agreement with relevant experiment.

Parameterization of the prosthetic redox centers of the bacterial cytochrome bc(1) complex for atomistic molecular dynamics simulations

DEFF Research Database (Denmark)

Kaszuba, K.; Postila, P. A.; Cramariuc, O.

2013-01-01

studied in large-scale classical molecular dynamics (MD) simulations. In part, this is due to lack of suitable force field parameters, centered atomic point charges in particular, for the complex's prosthetic redox centers. Accurate redox center charges are needed to depict realistically the inter-molecular...... interactions at different redox stages of the cyt bc(1) complex. Accordingly, here we present high-precision atomic point charges for the metal centers of the cyt bc(1) complex of Rhodobacter capsulatus derived from extensive density functional theory calculations, fitted using the restrained electrostatic...

Tunable plasmon resonances in anisotropic metal nanostructures

Science.gov (United States)

Penninkhof, J. J.

2006-09-01

to the arrays, respectively. The band splitting is attributed to near-field electromagnetic plasmon coupling within the arrays. Finite difference time domain simulations indicate that the combination of particle center-to-center spacing and diameter, rather than inter-particle spacing alone, is the key parameter determining the coupling strength. The resonant electric field is concentrated in the very small gaps between the particles in the array. With the MeV ion beam technique, it is possible to fabricate large substrates with relatively monodisperse oblate ellipsoidal silica-core/metal-shell colloids, with the short axis aligned in the direction of the ion beam. The optical extinction of these particles, is a complex function of the core radius and the shell thickness, due to a competition between phase retardation effects and the coupling between the surface plasmons at the inner and outer surfaces of the shell. After deformation, the extinction is angle- and polarization-dependent. Calculations indicate that large Au-shell particles can sustain cavity modes, for which the electric field is enhanced in almost the full volume of the dielectric core. The resonance frequency is sensitive to the size, shape and dielectric constant of the core, and the polarization direction.

Optical excitation of Er centers in GaN epilayers grown by MOCVD

Science.gov (United States)

George, D. K.; Hawkins, M. D.; Jiang, H. X.; Lin, J. Y.; Zavada, J. M.; Vinh, N. Q.

2016-02-01

In this paper we present results of photoluminescence (PL), photoluminescence excitation (PLE), and time resolved PL spectroscopy of the 4I13/2 → 4I15/2 transition in Er optical centers in GaN epilayers grown by metal-organic chemical vapor deposition. Under resonance excitation via the higher-lying inner 4f shell transitions and band-to-band excitation of the semiconductor host, the PL and PLE spectra reveal an existence of two types of Er optical centers from isolated and the defect-related Er centers in GaN epilayers. These centers have different PL spectra, local defect environments, decay dynamics, and excitation cross-sections. The isolated Er optical center, which can be excited by either excitation mechanism, has the same decay dynamics, but possesses a much higher cross-section under band-to-band excitation. In contrast, the defect-related Er center can only be observed through band-to-band excitation but has the largest crosssection. Our results indicate pathways for efficient optical excitation of Er-doped GaN semiconductors.

Center for BioBased Binders and Pollution Reduction Technology

Energy Technology Data Exchange (ETDEWEB)

Thiel, Jerry [Univ. of Northern Iowa, Cedar Falls, IA (United States)

2013-07-01

Funding will support the continuation of the Center for Advanced Bio-based Binders and Pollution Reduction Technology Center (CABB) in the development of bio-based polymers and emission reduction technologies for the metal casting industry. Since the formation of the center several new polymers based on agricultural materials have been developed. These new materials have show decreases in hazardous air pollutants, phenol and formaldehyde as much as 50 to 80% respectively. The polymers termed bio-polymers show a great potential to utilize current renewable agricultural resources to replace petroleum based products and reduce our dependence on importing of foreign oil. The agricultural technology has shown drastic reductions in the emission of hazardous air pollutants and volatile organic compounds and requires further development to maintain competitive costs and productivity. The project will also research new and improved inorganic binders that promise to eliminate hazardous emissions from foundry casting operations and allow for the beneficial reuse of the materials and avoiding the burdening of overcrowded landfills.

Metal-phthalocyanine functionalized carbon nanotubes as catalyst for the oxygen reduction reaction: A theoretical study

Science.gov (United States)

Orellana, Walter

2012-07-01

The covalent functionalization of metallic single-walled carbon nanotubes (CNTs) with transition metal phthalocyanines (MPc, with M = Mn, Fe and Co) are addressed by density functional calculations. The CNT-MPc catalytic activity toward the oxygen reduction reaction (ORR) is investigated through the O2 stretching frequency adsorbed on the phthalocyanine metal center. We find better reduction abilities when the CNT functionalization occurs through sp2-like bonds. Multiple stable-spin states for the M-O2 adduct are also found for M = Mn and Fe, suggesting higher ORR rates. The CNT-MPc complexes show metallic characteristics, suggesting favorable conditions to work as ORR cathode catalysts in fuel cells.

Melting decontamination and recycling of radioactive polluted metals from uranium mining and metallurgy

International Nuclear Information System (INIS)

Chen Anquan

2011-01-01

Melting method is a primary method used for decontamination of radioactive polluted metal from uranium mining and metallurgy. The decontamination mechanism of the method, the way selection and its features are introduced. Taking the ten year's work of CNNC Uranium Mining and Metallurgy Radioactive Polluted Metal Melting Processing Center as example, the effects of processing radioactive polluted metals by smelting method are discussed. The surface pollution levels of radioactive polluted metal from uranium mining and metallurgy decreased from 4-48 Bq/cm 2 before decontamination to 0.004-0.016 Bq/cm 2 after decontamination, and the specific activity of its metal is less than 1 Bq/g, which is below the solution control level proposed by IAEARS-G1.7 'the application of the concepts of exclusion, immunity and solution control'. The metals after decontamination can be recycled by producing tooth plate and bucket teeth of excavator used in mines. (authors)

Spark igniter having precious metal ground electrode inserts

International Nuclear Information System (INIS)

Ryan, N.A.

1988-01-01

This patent describes an igniter comprising a shell of a shell metal alloy which is resistant to spark erosion and corrosion, the shell having a firing end which terminates at its lower end in an annular ring, an insulator sealed within the metal shell and having a central bore and a surface extending inwardly toward the bore from the annular ring, a center electrode sealed within the bore of the insulator and having a firing end which is in spark gap relation with the annular ring of the shell and so positioned that a spark discharge between the firing end and the annular ring occurs along the inwardly extending surface of the insulator, and a plurality of oxidation and erosion resistant inserts, each of the inserts comprising a body of a metal selected from the group consisting of iridium, osmium, ruthenium, rhodium, platinum, and tungsten or an alloy or a ductile alloy of one of the foregoing metals, each of the bodies being embedded within a matching opening which extends from the exterior of the shell through the annular ring, being bonded to the shell

8-Hydroxyquinolines: a review of their metal chelating properties and medicinal applications

Directory of Open Access Journals (Sweden)

Prachayasittikul V

2013-10-01

Full Text Available Veda Prachayasittikul,1 Supaluk Prachayasittikul,2 Somsak Ruchirawat,3 Virapong Prachayasittikul11Department of Clinical Microbiology and Applied Technology, Faculty of Medical Technology, 2Center of Data Mining and Biomedical Informatics, Faculty of Medical Technology, Mahidol University, Bangkok, Thailand; 3Laboratory of Medicinal Chemistry, Chulabhorn Research Institute and Chulabhorn Graduate Institute, Bangkok, ThailandAbstract: Metal ions play an important role in biological processes and in metal homeostasis. Metal imbalance is the leading cause for many neurodegenerative diseases such as Alzheimer's disease, Parkinson's disease, and multiple sclerosis. 8-Hydroxyquinoline (8HQ is a small planar molecule with a lipophilic effect and a metal chelating ability. As a result, 8HQ and its derivatives hold medicinal properties such as antineurodegenerative, anticancer, antioxidant, antimicrobial, anti-inflammatory, and antidiabetic activities. Herein, diverse bioactivities of 8HQ and newly synthesized 8HQ-based compounds are discussed together with their mechanisms of actions and structure–activity relationships.Keywords: metal binding compound, antineurodegenerative, anticancer, antidiabetic, multifunctional actions, structure–activity relationships

Excitation mechanisms of Er optical centers in GaN epilayers

International Nuclear Information System (INIS)

George, D. K.; Hawkins, M. D.; McLaren, M.; Vinh, N. Q.; Jiang, H. X.; Lin, J. Y.; Zavada, J. M.

2015-01-01

We report direct evidence of two mechanisms responsible for the excitation of optically active Er 3+ ions in GaN epilayers grown by metal-organic chemical vapor deposition. These mechanisms, resonant excitation via the higher-lying inner 4f shell transitions and band-to-band excitation of the semiconductor host, lead to narrow emission lines from isolated and the defect-related Er optical centers. However, these centers have different photoluminescence spectra, local defect environments, decay dynamics, and excitation cross sections. The photoluminescence at 1.54 μm from the isolated Er optical center which can be excited by either mechanism has the same decay dynamics, but possesses a much higher excitation cross-section under band-to-band excitation. In contrast, the photoluminescence at 1.54 μm from the defect-related Er optical center can only be observed through band-to-band excitation but has the largest excitation cross-section. These results explain the difficulty in achieving gain in Er doped GaN and indicate approaches for realization of optical amplification, and possibly lasing, at room temperature

Test and Analysis Correlation of a Large-Scale, Orthogrid-Stiffened Metallic Cylinder without Weld Lands

Science.gov (United States)

Rudd, Michelle T.; Hilburger, Mark W.; Lovejoy, Andrew E.; Lindell, Michael C.; Gardner, Nathaniel W.; Schultz, Marc R.

2018-01-01

The NASA Engineering Safety Center (NESC) Shell Buckling Knockdown Factor Project (SBKF) was established in 2007 by the NESC with the primary objective to develop analysis-based buckling design factors and guidelines for metallic and composite launch-vehicle structures.1 A secondary objective of the project is to advance technologies that have the potential to increase the structural efficiency of launch-vehicles. The SBKF Project has determined that weld-land stiffness discontinuities can significantly reduce the buckling load of a cylinder. In addition, the welding process can introduce localized geometric imperfections that can further exacerbate the inherent buckling imperfection sensitivity of the cylinder. Therefore, single-piece barrel fabrication technologies can improve structural efficiency by eliminating these weld-land issues. As part of this effort, SBKF partnered with the Advanced Materials and Processing Branch (AMPB) at NASA Langley Research Center (LaRC), the Mechanical and Fabrication Branch at NASA Marshall Space Flight Center (MSFC), and ATI Forged Products to design and fabricate an 8-ft-diameter orthogrid-stiffened seamless metallic cylinder. The cylinder was subjected to seven subcritical load sequences (load levels that are not intended to induce test article buckling or material failure) and one load sequence to failure. The purpose of this test effort was to demonstrate the potential benefits of building cylindrical structures with no weld lands using the flow-formed manufacturing process. This seamless barrel is the ninth 8-ft-diameter metallic barrel and the first single-piece metallic structure to be tested under this program.

Water-soluble organo-building blocks of aminoclay as a soil-flushing agent for heavy metal contaminated soil

International Nuclear Information System (INIS)

Lee, Young-Chul; Kim, Eun Jung; Ko, Dong Ah; Yang, Ji-Won

2011-01-01

Highlights: ► Aminoclays have synthesized using centered metals with aminopropyl silane. ► Developed aminoclay has unique nano-sized and water-soluble properties. ► Aminoclay showed high heavy metal capacity with metal ions and its less toxicity. ► Aminoclay could be used to remediate heavy metals from soils an alternative soil-flushing agent. - Abstract: We demonstrated that water-soluble aminopropyl magnesium functionalized phyllosilicate could be used as a soil-flushing agent for heavy metal contaminated soils. Soil flushing has been an attractive means to remediate heavy metal contamination because it is less disruptive to the soil environment after the treatment was performed. However, development of efficient and non-toxic soil-flushing agents is still required. We have synthesized aminoclays with three different central metal ions such as magnesium, aluminum, and ferric ions and investigated applicability of aminoclays as soil flushing agents. Among them, magnesium (Mg)-centered aminoclay showed the smallest size distribution and superior water solubility, up to 100 mg/mL. Mg aminoclay exhibited cadmium and lead binding capacity of 26.50 and 91.31 mg/g of Mg clay, respectively, at near neutral pH, but it showed negligible binding affinity to metals in acidic conditions. For soil flushing with Mg clay at neutral pH showed cadmium and lead were efficiently extracted from soils by Mg clay, suggesting strong binding ability of Mg clay with cadmium and lead. As the organic matter and clay compositions increased in the soil, the removal efficiency by Mg clay decreased and the operation time increased.

Neutron diffraction studies of transition metal hydride complexes

International Nuclear Information System (INIS)

Koetzle, T.F.; Bau, R.

1976-01-01

Investigations of H 3 Ta(C 5 H 5 ) 2 (III), HW 2 (CO) 9 (NO) (IV), and HW 2 (CO) 8 (NO) (P(OCH 3 ) 3 ) (V) have been completed. Preliminary results are available for HFeCo 3 (CO) 9 [P(OCH 3 ) 3 ] 3 (VII). This work, together with studies of HMo 2 (C 5 H 5 ) 2 (CO) 4 (P(CH 3 ) 2 ) (VI) and [(C 2 H 5 ) 4 N] + [HCr 2 (CO) 10 ] - carried out at Argonne has led to some general observations on the geometry and the nature of bonding in these compounds. For example, in the structures of IV and V, both of which have bent W--H--W linkages (less than W--H--W in the range 125-130 0 ), there is conclusive evidence for the existence of a closed three-center W--H--W bond with significant metal-metal interaction. Such is the case, because extensions of the axial W--C and W--N bonds trans to the hydride intersect at a point near the center of the W--H--W triangle. The geometry of VI, which also contains a bent M--H--M bond, is consistent with that of IV and V. Bridging M--H bonds in these second- and third-row hydrides range in length from 1.85 to 1.89 A, compared to 1.75 A in the first-row polynuclear complex VII. For metals of corresponding rows, bridging M--H bonds are about 0.1 A longer than terminal bonds, which are classified as single covalent bonds

Treatment Of Metal-Mine Effluents By Limestone Neutralization And Calcite Co-Precipitation

Science.gov (United States)

The U.S. Geological Survey - Leetown Science Center and the Colorado School of Mines have developed a remediation process for the treatment of metals in circumneutral mining influenced waters. The process involves treatment with a pulsed limestone bed (PLB) system, followed by c...

Texture formation in metals with bcc lattice during drawing in dead rollers

International Nuclear Information System (INIS)

Gubchevskij, V.P.; Zemlyanskov, V.A.; Zlatoustovskij, D.M.; Nemkina, Eh.D.

1976-01-01

The texture of low-carbon steel, molybdenum and tungsten wires subjected to intermediate and finish drawing were studied to find whether it is common to metals with a body-centered lattice. Experimental data tend to indicate that both the intermediate drawing and the finish drawing give rise to two axial textures, or (110) and (114), parallel to the axis of drawing. It was inferred that the mechanism of the formation of texture in drawing is common to all the metals of a VCC lattice

Cohesion and coordination effects on transition metal surface energies

Science.gov (United States)

Ruvireta, Judit; Vega, Lorena; Viñes, Francesc

2017-10-01

Here we explore the accuracy of Stefan equation and broken-bond model semiempirical approaches to obtain surface energies on transition metals. Cohesive factors are accounted for either via the vaporization enthalpies, as proposed in Stefan equation, or via cohesive energies, as employed in the broken-bond model. Coordination effects are considered including the saturation degree, as suggested in Stefan equation, employing Coordination Numbers (CN), or as the ratio of broken bonds, according to the bond-cutting model, considering as well the square root dependency of the bond strength on CN. Further, generalized coordination numbers CN bar are contemplated as well, exploring a total number of 12 semiempirical formulations on the three most densely packed surfaces of 3d, 4d, and 5d Transition Metals (TMs) displaying face-centered cubic (fcc), body-centered cubic (bcc), or hexagonal close-packed (hcp) crystallographic structures. Estimates are compared to available experimental surface energies obtained extrapolated to zero temperature. Results reveal that Stefan formula cohesive and coordination dependencies are only qualitative suited, but unadvised for quantitative discussion, as surface energies are highly overestimated, favoring in addition the stability of under-coordinated surfaces. Broken-bond cohesion and coordination dependencies are a suited basis for quantitative comparison, where square-root dependencies on CN to account for bond weakening are sensibly worse. An analysis using Wulff shaped averaged surface energies suggests the employment of broken-bond model using CN to gain surface energies for TMs, likely applicable to other metals.

METALLICITY GRADIENTS OF THICK DISK DWARF STARS

Energy Technology Data Exchange (ETDEWEB)

Carrell, Kenneth; Chen Yuqin; Zhao Gang, E-mail: carrell@nao.cas.cn [Key Laboratory of Optical Astronomy, National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012 (China)

2012-12-01

We examine the metallicity distribution of the Galactic thick disk using F, G, and K dwarf stars selected from the Sloan Digital Sky Survey, Data Release 8. Using the large sample of dwarf stars with proper motions and spectroscopically determined stellar parameters, metallicity gradients in the radial direction for various heights above the Galactic plane and in the vertical direction for various radial distances from the Galaxy center have been found. In particular, we find a vertical metallicity gradient of -0.113 {+-} 0.010 (-0.125 {+-} 0.008) dex kpc{sup -1} using an isochrone (photometric) distance determination in the range 1 kpc <|Z| < 3 kpc, which is the vertical height range most consistent with the thick disk of our Galaxy. In the radial direction, we find metallicity gradients between +0.02 and +0.03 dex kpc{sup -1} for bins in the vertical direction between 1 kpc <|Z| < 3 kpc. Both of these results agree with similar values determined from other populations of stars, but this is the first time a radial metallicity gradient for the thick disk has been found at these vertical heights. We are also able to separate thin and thick disk stars based on kinematic and spatial probabilities in the vertical height range where there is significant overlap of these two populations. This should aid further studies of the metallicity gradients of the disk for vertical heights lower than those studied here but above the solar neighborhood. Metallicity gradients in the thin and thick disks are important probes into possible formation scenarios for our Galaxy and a consistent picture is beginning to emerge from results using large spectroscopic surveys, such as the ones presented here.

The best and brightest metal-poor stars

Energy Technology Data Exchange (ETDEWEB)

Schlaufman, Kevin C.; Casey, Andrew R., E-mail: kschlauf@mit.edu, E-mail: arc@ast.cam.ac.uk [Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

2014-12-10

The chemical abundances of large samples of extremely metal-poor (EMP) stars can be used to investigate metal-free stellar populations, supernovae, and nucleosynthesis as well as the formation and galactic chemical evolution of the Milky Way and its progenitor halos. However, current progress on the study of EMP stars is being limited by their faint apparent magnitudes. The acquisition of high signal-to-noise spectra for faint EMP stars requires a major telescope time commitment, making the construction of large samples of EMP star abundances prohibitively expensive. We have developed a new, efficient selection that uses only public, all-sky APASS optical, 2MASS near-infrared, and WISE mid-infrared photometry to identify bright metal-poor star candidates through their lack of molecular absorption near 4.6 microns. We have used our selection to identify 11,916 metal-poor star candidates with V < 14, increasing the number of publicly available candidates by more than a factor of five in this magnitude range. Their bright apparent magnitudes have greatly eased high-resolution follow-up observations that have identified seven previously unknown stars with [Fe/H] ≲ –3.0. Our follow-up campaign has revealed that 3.8{sub −1.1}{sup +1.3}% of our candidates have [Fe/H] ≲ –3.0 and 32.5{sub −2.9}{sup +3.0}% have –3.0 ≲ [Fe/H] ≲ –2.0. The bulge is the most likely location of any existing Galactic Population III stars, and an infrared-only variant of our selection is well suited to the identification of metal-poor stars in the bulge. Indeed, two of our confirmed metal-poor stars with [Fe/H] ≲ –2.7 are within about 2 kpc of the Galactic center. They are among the most metal-poor stars known in the bulge.

Heavy metals in vegetables and potential risk for human health

Directory of Open Access Journals (Sweden)

Fernando Guerra

2012-02-01

Full Text Available Ingestion of vegetables containing heavy metals is one of the main ways in which these elements enter the human body. Once entered, heavy metals are deposited in bone and fat tissues, overlapping noble minerals. Slowly released into the body, heavy metals can cause an array of diseases. This study aimed to investigate the concentrations of cadmium, nickel, lead, cobalt and chromium in the most frequently consumed foodstuff in the São Paulo State, Brazil and to compare the heavy metal contents with the permissible limits established by the Brazilian legislation. A value of intake of heavy metals in human diets was also calculated to estimate the risk to human health. Vegetable samples were collected at the São Paulo General Warehousing and Centers Company, and the heavy metal content was determined by atomic absorption spectrophotometry. All sampled vegetables presented average concentrations of Cd and Ni lower than the permissible limits established by the Brazilian legislation. Pb and Cr exceeded the limits in 44 % of the analyzed samples. The Brazilian legislation does not establish a permissible limit for Co contents. Regarding the consumption habit of the population in the São Paulo State, the daily ingestion of heavy metals was below the oral dose of reference, therefore, consumption of these vegetables can be considered safe and without risk to human health.

Webinar Presentation: Vitamins, Minerals and Metals: Do Healthy Diets Counteract Health Effects of Toxicants?

Science.gov (United States)

This presentation, Vitamins, Minerals and Metals: Do Healthy Diets Counteract Health Effects of Toxicants?, was given at the NIEHS/EPA Children's Centers 2015 Webinar Series: Food and Children's Health held on Dec. 9, 2015.

Simulating Valence-to-Core X-ray Emission Spectroscopy of Transition Metal Complexes with Time-Dependent Density Functional Theory.

Science.gov (United States)

Zhang, Yu; Mukamel, Shaul; Khalil, Munira; Govind, Niranjan

2015-12-08

Valence-to-core (VtC) X-ray emission spectroscopy (XES) has emerged as a powerful technique for the structural characterization of complex organometallic compounds in realistic environments. Since the spectrum represents electronic transitions from the ligand molecular orbitals to the core holes of the metal centers, the approach is more chemically sensitive to the metal-ligand bonding character compared with conventional X-ray absorption techniques. In this paper we study how linear-response time-dependent density functional theory (LR-TDDFT) can be harnessed to simulate K-edge VtC X-ray emission spectra reliably. LR-TDDFT allows one to go beyond the single-particle picture that has been extensively used to simulate VtC-XES. We consider seven low- and high-spin model complexes involving chromium, manganese, and iron transition metal centers. Our results are in good agreement with experiment.

Metal Dusting: Catastrophic Corrosion by Carbon

Science.gov (United States)

Young, David J.; Zhang, Jianqiang

2012-12-01

Reducing gases rich in carbon-bearing species such as CO can be supersaturated with respect to graphite at intermediate temperatures of about 400-700°C. Engineering alloys such as low-alloy and stainless steels, and heat-resisting iron-, nickel-, and cobalt-base alloys catalyze gas processes that release the carbon. An understanding of how the resulting carbon deposition can destroy alloys at a catastrophically rapid rate has been the objective of a great deal of research. The current review of recent work on metal dusting covers the mass transfer—principally carbon diffusion—and graphite nucleation processes involved. A clear distinction emerges between ferritic alloys, which form cementite and precipitate graphite within that carbide, and austenitics that nucleate graphite directly within the metal. The latter process is facilitated by the strong orientation relationship between the graphite and face-centered cubic (fcc) lattices. Strategies for the control of dusting are briefly outlined.

Redox reactions in rare earth chloride molten electrolytes; Okislitel'no-vosstanovitel'nye reaktsii v rasplavlennykh ehlektrolitakh, soderzhashchikh khloridy redkozemel'nykh metallov

Energy Technology Data Exchange (ETDEWEB)

Khokhlov, V A; Novoselova, A V; Nikolaeva, E V; Tkacheva, O Yu; Salyulev, A B [Inst. Vysokotemperaturnoj Ehlektrokhimii UrO RAN, Ekaterinburg (Russian Federation)

2007-08-15

Rare earth (REM, Ln) solutions in chloride melts including MCI+LnCl{sub 3} mixtures, where M - alkali metals, were investigated by potentiometry, voltammetry, conductometry in wide concentration and temperature intervals. Findings present complete and trusty information on the valent state of rare earths, structure and composition of complex ions affecting essentially on properties of electrolytes. It is demonstrated that the coexistence of rare earth ions with different oxidation level formed as a result of possible redox reactions: 2Ln{sup 3+} + Ln {r_reversible}3Ln{sup 2+}, Ln{sup 2+} + Ln{r_reversible}2Ln{sup +} and nM{sup +} + Ln{r_reversible}nM + Ln{sup n+} appears sharply in thermodynamic and transport properties of molten Ln-LnCl{sub 3} and Ln-LnCl{sub 3}-MCl systems.

ASCA observation of NGC 4636: Dark matter and metallicity gradient

Science.gov (United States)

Mushotzky, R. F.; Loewenstein, M.; Awaki, H.; Makishima, K.; Matsushita, K.; Matsumoto, H.

1994-01-01

We present our analysis of ASCA PV phase observation of the elliptical galaxy NGC 4636. Solid state imaging spectrometer (SIS) spectra in six concentric annuli centered on NGC 4636 are used to derive temperature, metallicity, and column density profiles for the hot interstellar medium. Outside of the central 3 min the temperature is roughly constant at approximately 0.85 keV, while the metallicity decreases from greater than 0.36 solar at the center to less than 0.12 solar at R approximately 9 min. The implications of this gradient for elliptical galaxy formation and the enrichment of intracluster gas are discussed. We derive a detailed mass profile consistent with the stellar velocity dispersion and with ROSAT position sensitive proportional counter (PSPC) and ASCA SIS X-ray temperature profiles. We find that NGC 4636 becomes dark matter dominated at roughly the de Vaucouleurs radius, and, at r approximately 100 kpc, the ratio of dark to luminous matter density is approximately 80 and solar mass/solar luminosity approximately equal to 150. Evidence for the presence of a cooling flow is also discussed.

Extracting metals directly from metal oxides

International Nuclear Information System (INIS)

Wai, C.M.; Smart, N.G.; Phelps, C.

1997-01-01

A method of extracting metals directly from metal oxides by exposing the oxide to a supercritical fluid solvent containing a chelating agent is described. Preferably, the metal is an actinide or a lanthanide. More preferably, the metal is uranium, thorium or plutonium. The chelating agent forms chelates that are soluble in the supercritical fluid, thereby allowing direct removal of the metal from the metal oxide. In preferred embodiments, the extraction solvent is supercritical carbon dioxide and the chelating agent is selected from the group consisting of β-diketones, halogenated β-diketones, phosphinic acids, halogenated phosphinic acids, carboxylic acids, halogenated carboxylic acids, and mixtures thereof. In especially preferred embodiments, at least one of the chelating agents is fluorinated. The method provides an environmentally benign process for removing metals from metal oxides without using acids or biologically harmful solvents. The chelate and supercritical fluid can be regenerated, and the metal recovered, to provide an economic, efficient process. 4 figs

A Biomimetic Approach to New Adsorptive Hydrogen Storage Metal-Organic Frameworks

Energy Technology Data Exchange (ETDEWEB)

Zhou, Hongcai J [Texas A& M University

2015-08-12

In the past decades, there has been an escalation of interest in the study of MOFs due to their fascinating structures and intriguing application potentials. Their exceptionally high surface areas, uniform yet tunable pore sizes, and well-defined adsorbate-MOF interaction sites make them suitable for hydrogen storage. Various strategies to increase the hydrogen capacity of MOFs, such as constructing pore sizes comparable to hydrogen molecules, increasing surface area and pore volume, utilizing catenation, and introducing coordinatively unsaturated metal centers (UMCs) have been widely explored to increase the hydrogen uptake of the MOFs. MOFs with hydrogen uptake approaching the DOE gravimetric storage goal under reasonable pressure but cryo- temperature (typically 77 K) were achieved. However, the weak interaction between hydrogen molecules and MOFs has been the major hurdle limiting the hydrogen uptake of MOFs at ambient temperature. Along the road, we have realized both high surface area and strong interaction between framework and hydrogen are equally essential for porous materials to be practically applicable in Hydrogen storage. Increasing the isosteric heats of adsorption for hydrogen through the introduction of active centers into the framework could have great potential on rendering the framework with strong interaction toward hydrogen. Approaches on increasing the surface areas and improving hydrogen affinity by optimizing size and structure of the pores and the alignment of active centers around the pores in frameworks have been pursued, for example: (a) the introduction of coordinatively UMC (represents a metal center missing multiple ligands) with potential capability of multiple dihydrogen-binding (Kubas type, non-dissociative) per UMC, (b) the design and synthesis of proton-rich MOFs in which a + H3 binds dihydrogen just like a metal ion does, and (c) the preparation of MOFs and PPNs with well aligned internal electric fields. We believe the

Kinetics of F center annealing and colloid formation in Al{sub 2}O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Kotomin, E.A., E-mail: kotomin@latnet.lv [Institute of Solid State Physics, Kengaraga 8, Riga LV 1063 (Latvia); Kuzovkov, V.N.; Popov, A.I. [Institute of Solid State Physics, Kengaraga 8, Riga LV 1063 (Latvia); Vila, R. [CIEMAT, Madrid (Spain)

2016-05-01

The diffusion-controlled kinetics of the F center annealing in Al{sub 2}O{sub 3} (sapphire, corundum) is simulated theoretically for the two regimes: after neutron irradiation when the immobile F centers are annihilated with complementary defects – mobile interstitial oxygen ions, and in thermochemically reduced (additively colored) crystals where mobile F centers aggregate and create the metal colloids. A comparison of the experimental and theoretical kinetics allowed us to estimate the migration energies for the F centers and interstitial oxygen ions. It is obtained that the pre-exponents in diffusion coefficients for defects in different neutron irradiated samples can vary by two orders of magnitude which is attributed by presence of numerous traps for mobile interstitial oxygen ions.

Benzene-centered tripodal diglycolamides : Synthesis, metal ion extraction, luminescence spectroscopy, and DFT studies

NARCIS (Netherlands)

Leoncini, Andrea; Ansari, Seraj Ahmad; Mohapatra, Prasanta Kumar; Boda, Anil; Musharaf Ali, Sheikh; Sengupta, Arijit; Huskens, Jurriaan; Verboom, Willem

2017-01-01

Three benzene-centered tripodal diglycolamides (Bz-T-DGAs) were synthesized and evaluated for actinide, lanthanide, and fission product ion extraction. 1,3,5-Triethylbenzene-based tripodal DGA (LI) showed high distribution ratio (D) values for Am3+ and Eu3+ in a mixture of 95% n-dodecane and 5%

Liquid Metallic Hydrogen: A Building Block for the Liquid Sun

Directory of Open Access Journals (Sweden)

Robitaille P.-M.

2011-07-01

Full Text Available Liquid metallic hydrogen provides a compelling material for constructing a condensed matter model of the Sun and the photosphere. Like diamond, metallic hydrogen might have the potential to be a metastable substance requiring high pressures for forma- tion. Once created, it would remain stable even at lower pressures. The metallic form of hydrogen was initially conceived in 1935 by Eugene Wigner and Hillard B. Huntington who indirectly anticipated its elevated critical temperature for liquefaction (Wigner E. and Huntington H.B. On the possibility of a metallic modification of hydro- gen. J. Chem. Phys. , 1935, v.3, 764–770. At that time, solid metallic hydrogen was hypothesized to exist as a body centered cubic, although a more energetically accessible layered graphite-like lattice was also envisioned. Relative to solar emission, this struc- tural resemblance between graphite and layered metallic hydrogen should not be easily dismissed. In the laboratory, metallic hydrogen remains an elusive material. However, given the extensive observational evidence for a condensed Sun composed primarily of hydrogen, it is appropriate to consider metallic hydrogen as a solar building block. It is anticipated that solar liquid metallic hydrogen should possess at least some layered order. Since layered liquid metallic hydrogen would be essentially incompressible, its invocation as a solar constituent brings into question much of current stellar physics. The central proof of a liquid state remains the thermal spectrum of the Sun itself. Its proper understanding brings together all the great forces which shaped modern physics. Although other proofs exist for a liquid photosphere, our focus remains solidly on the generation of this light.

Coupling of single nitrogen-vacancy defect centers in diamond nanocrystals to optical antennas and photonic crystal cavities

Energy Technology Data Exchange (ETDEWEB)

Wolters, Janik; Kewes, Guenter; Schell, Andreas W.; Aichele, Thomas; Benson, Oliver [Humboldt-Universitaet zu Berlin, Institut fuer Physik, Berlin (Germany); Nuesse, Nils; Schoengen, Max; Loechel, Bernd [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Berlin (Germany); Hanke, Tobias; Leitenstorfer, Alfred [Department of Physics and Center for Applied Photonics, Universitaet Konstanz, Konstanz (Germany); Bratschitsch, Rudolf [Department of Physics and Center for Applied Photonics, Universitaet Konstanz, Konstanz (Germany); Technische Universitaet Chemnitz, Institut fuer Physik, Chemnitz (Germany)

2012-05-15

We demonstrate the ability to modify the emission properties and enhance the interaction strength of single-photon emitters coupled to nanophotonic structures based on metals and dielectrics. Assembly of individual diamond nanocrystals, metal nanoparticles, and photonic crystal cavities to meta-structures is introduced. Experiments concerning controlled coupling of single defect centers in nanodiamonds to optical nanoantennas made of gold bowtie structures are reviewed. By placing one and the same emitter at various locations with high precision, a map of decay rate enhancements was obtained. Furthermore, we demonstrate the formation of a hybrid cavity quantum electrodynamics system in which a single defect center is coupled to a single mode of a gallium phosphite photonic crystal cavity. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Coordination of different ligands to copper(II) and cobalt(III) metal centers enhances Zika virus and dengue virus loads in both arthropod cells and human keratinocytes.

Science.gov (United States)

Dutta, Shovan; Celestine, Michael J; Khanal, Supreet; Huddleston, Alexis; Simms, Colin; Arca, Jessa Faye; Mitra, Amlan; Heller, Loree; Kraj, Piotr J; Ledizet, Michel; Anderson, John F; Neelakanta, Girish; Holder, Alvin A; Sultana, Hameeda

2018-01-01

Trace elements such as copper and cobalt have been associated with virus-host interactions. However, studies to show the effect of conjugation of copper(II) or cobalt(III) metal centers to thiosemicarbazone ligand(s) derived from either food additives or mosquito repellent such as 2-acetylethiazole or citral, respectively, on Zika virus (ZIKV) or dengue virus (serotype 2; DENV2) infections have not been explored. In this study, we show that four compounds comprising of thiosemicarbazone ligand derived from 2-acetylethiazole viz., (E)-N-ethyl-2-[1-(thiazol-2-yl)ethylidene]hydrazinecarbothioamide (acetylethTSC) (compound 1), a copper(II) complex with acetylethTSC as a ligand (compound 2), a thiosemicarbazone ligand-derived from citral (compound 3) and a cobalt(III) complex with a citral-thiosemicarbazone ligand (compound 4) increased DENV2 and ZIKV replication in both mosquito C6/36 cells and human keratinocytes (HaCaT cells). Treatment of both cell lines with compounds 2 or 4 showed increased dengue viral titers at all three tested doses. Enhanced dengue viral plaque formation was also noted at the tested dose of 100μM, suggesting higher production of infectious viral particles. Treatment with the compounds 2 or 4 enhanced ZIKV and DENV2 RNA levels in HeLa cell line and primary cultures of mouse bone marrow derived dendritic cells. Also, pre- or post treatments with conjugated compounds 2 or 4 showed higher loads of ZIKV or DENV2 envelope (E) protein in HaCaT cells. No changes in loads of E-protein were found in ZIKV-infected C6/36 cells, when compounds were treated after infection. In addition, we tested bis(1,10-phenanthroline)copper(II) chloride ([Cu(phen) 2 ]Cl 2 , (compound 5) and tris(1,10-phenanthroline)cobalt(III) chloride ([Co(phen) 3 ]Cl 3 , (compound 6) that also showed enhanced DENV2 loads. Also, we found that copper(II) chloride dehydrate (CuCl 2 ·2H 2 O) or cobalt(II) chloride hexahydrate (CoCl 2 ·6H 2 O) alone had no effects as "free" cations

Metal concentrations in surface sediments of Paraiba do Sul River (Brazil)

International Nuclear Information System (INIS)

Pereira, M.O.; Calza, C.; Lopes, R.T.; Anjos, M.J.; UERJ, Rio de Janeiro; Araujo, F.G.

2006-01-01

The Paraiba do Sul River is located in a strategic region between the most important urban and industrial centers of Brazil. In the last years, an increase in the water pollution has been reported, caused by the untreated domestic sewerage of the inhabitants, effluents discharged by various industries, mining activities and sand extraction from the riverbed. This work used total reflection X-ray fluorescence with synchrotron radiation (SRTXRF) to determine metals in the bioavailable and residual fractions from the surface sediments. The metals identified were Ti, Cr, Mn, Fe, Cu, Zn, Rb, Sr, Ba and Pb. (author)

Analysis of a Hybrid Wing Body Center Section Test Article

Science.gov (United States)

Wu, Hsi-Yung T.; Shaw, Peter; Przekop, Adam

2013-01-01

The hybrid wing body center section test article is an all-composite structure made of crown, floor, keel, bulkhead, and rib panels utilizing the Pultruded Rod Stitched Efficient Unitized Structure (PRSEUS) design concept. The primary goal of this test article is to prove that PRSEUS components are capable of carrying combined loads that are representative of a hybrid wing body pressure cabin design regime. This paper summarizes the analytical approach, analysis results, and failure predictions of the test article. A global finite element model of composite panels, metallic fittings, mechanical fasteners, and the Combined Loads Test System (COLTS) test fixture was used to conduct linear structural strength and stability analyses to validate the specimen under the most critical combination of bending and pressure loading conditions found in the hybrid wing body pressure cabin. Local detail analyses were also performed at locations with high stress concentrations, at Tee-cap noodle interfaces with surrounding laminates, and at fastener locations with high bearing/bypass loads. Failure predictions for different composite and metallic failure modes were made, and nonlinear analyses were also performed to study the structural response of the test article under combined bending and pressure loading. This large-scale specimen test will be conducted at the COLTS facility at the NASA Langley Research Center.

The Metal-Zirconia Implant Fixed Hybrid Full-Arch Prosthesis: An Alternative Technique for Fabrication.

Science.gov (United States)

Stumpel, Lambert J; Haechler, Walter

2018-03-01

The metal-resin hybrid full-arch prosthesis has been a traditionally used type of restoration for full-arch implant fixed dentures. A newer development has centered around the use of monolithic zirconia or zirconia veneered with porcelain. Being a ceramic, zirconia has the potential for fracture. This article describes a technique that utilizes a metal substructure to support a chemically and mechanically resinbonded shell of zirconia. The workflow is discussed, ranging from in-office master cast fabrication to the CAD/ CAM production of the provisional and the definitive metal-zirconia prosthesis. The article also highlights the advantages and disadvantages of various materials used for hybrid prostheses.

Origin of metallic Fe-Ni in Renazzo and related chondrites

Science.gov (United States)

Lee, Min S.; Rubin, Alan E.; Wasson, John T.

1992-01-01

To assess the formation of metallic Fe-Ni in Renazzo and related chondrites, Ni and Co zoning profiles in metallic Fe-Ni are determined from different petrographic sites (chondrule interiors, chondrule margins, chondrule rims, and matrix) in Renazzo, Al Rais, and the related chondrite, MacAlpine Hills 87320. Metal from chondrule interiors shows flat Ni and Co concentrations and profiles, moderately large grain-to-grain compositional variations (even with chondrules), and generally high Ni and Co. Nickel concentrations extend above the kamacite stability limit; etching such 'martensite' shows high-Ni domains in some cases, but observed Ni concentrations do not exceed 190 mg/g. Metal from chondrule margins adjacent to matrix shows convex Ni and Co zoning profiles; the highest Ni and Co concentrations are at grain centers, although the mean central Ni and Co concentrations in margin grains are much lower than those from chondrule interiors; the remainder are convex. The low Co and Ni contents at the edge of grains in chondrule margins are interpreted to reflect dilution by Fe produced by FeO reduction.

Polymer Catalysts Imprinted with Metal Ions as Biomimics of Metalloenzymes

Directory of Open Access Journals (Sweden)

Joanna Czulak

2013-01-01

Full Text Available This work presents the preparation and properties of molecularly imprinted polymers (MIPs with catalytic centers that mimic the active sites of metalloenzymes. The MIP synthesis was based on suspension polymerization of functional monomers (4-vinylpyridine and acrylonitrile with trimethylolpropane trimethacrylate as a crosslinker in the presence of transition metal ions and 4-methoxybenzyl alcohol as a template. Four metal ions have been chosen for imprinting from among the microelements that are the most essential in the native enzymes: Cu2+, Co2+, Mn2+, and Zn2+. To prepare catalysts, the required loading of metal ions was obtained during sorption process. The catalysts imprinted with Cu2+, Co2+, and Zn2+ were successfully used for hydroquinone oxidation in the presence of hydrogen peroxide. The Mn2+-imprinted catalyst showed no activity due to the insufficient metal loading. Cu2+ MIP showed the highest efficiency. In case of Cu- and Co-MIP catalysts, their activity was additionally increased by the use of surface imprinting technique.

Water-soluble organo-building blocks of aminoclay as a soil-flushing agent for heavy metal contaminated soil

Energy Technology Data Exchange (ETDEWEB)

Lee, Young-Chul [Department of Chemical and Biomolecular Engineering (BK21 program), KAIST, 335 Gwahak-ro, Yuseong-gu, Daejeon 305-701 (Korea, Republic of); Kim, Eun Jung [Advanced Biomass R and D Center, KAIST, 291 Daehakno, Yuseong-gu, Daejeon 305-701 (Korea, Republic of); Ko, Dong Ah [Department of Chemical and Biomolecular Engineering (BK21 program), KAIST, 335 Gwahak-ro, Yuseong-gu, Daejeon 305-701 (Korea, Republic of); Yang, Ji-Won, E-mail: jiwonyang@kaist.ac.kr [Department of Chemical and Biomolecular Engineering (BK21 program), KAIST, 335 Gwahak-ro, Yuseong-gu, Daejeon 305-701 (Korea, Republic of); Advanced Biomass R and D Center, KAIST, 291 Daehakno, Yuseong-gu, Daejeon 305-701 (Korea, Republic of)

2011-11-30

Highlights: Black-Right-Pointing-Pointer Aminoclays have synthesized using centered metals with aminopropyl silane. Black-Right-Pointing-Pointer Developed aminoclay has unique nano-sized and water-soluble properties. Black-Right-Pointing-Pointer Aminoclay showed high heavy metal capacity with metal ions and its less toxicity. Black-Right-Pointing-Pointer Aminoclay could be used to remediate heavy metals from soils an alternative soil-flushing agent. - Abstract: We demonstrated that water-soluble aminopropyl magnesium functionalized phyllosilicate could be used as a soil-flushing agent for heavy metal contaminated soils. Soil flushing has been an attractive means to remediate heavy metal contamination because it is less disruptive to the soil environment after the treatment was performed. However, development of efficient and non-toxic soil-flushing agents is still required. We have synthesized aminoclays with three different central metal ions such as magnesium, aluminum, and ferric ions and investigated applicability of aminoclays as soil flushing agents. Among them, magnesium (Mg)-centered aminoclay showed the smallest size distribution and superior water solubility, up to 100 mg/mL. Mg aminoclay exhibited cadmium and lead binding capacity of 26.50 and 91.31 mg/g of Mg clay, respectively, at near neutral pH, but it showed negligible binding affinity to metals in acidic conditions. For soil flushing with Mg clay at neutral pH showed cadmium and lead were efficiently extracted from soils by Mg clay, suggesting strong binding ability of Mg clay with cadmium and lead. As the organic matter and clay compositions increased in the soil, the removal efficiency by Mg clay decreased and the operation time increased.

Durability of metals from archaeological objects, metal meteorites, and native metals

International Nuclear Information System (INIS)

Johnson, A.B. Jr.; Francis, B.

1980-01-01

Metal durability is an important consideration in the multi-barrier nuclear waste storage concept. This study summarizes the ancient metals, the environments, and factors which appear to have contributed to metal longevity. Archaeological and radiochemical dating suggest that human use of metals began in the period 6000 to 7000 BC. Gold is clearly the most durable, but many objects fashioned from silver, copper, bronze, iron, lead, and tin have survived for several thousand years. Dry environments, such as tombs, appear to be optimum for metal preservation, but some metals have survived in shipwrecks for over a thousand years. The metal meteorites are Fe-base alloys with 5 to 60 wt% Ni and minor amounts of Co, I, and S. Some meteoritic masses with ages estimated to be 5,000 to 20,000 years have weathered very little, while other masses from the same meteorites are in advanced stages of weathering. Native metals are natural metallic ores. Approximately five million tonnes were mined from native copper deposits in Michigan. Copper masses from the Michigan deposits were transported by the Pleistocene glaciers. Areas on the copper surfaces which appear to represent glacial abrasion show minimal corrosion. Dry cooling tower technology has demonstrated that in pollution-free moist environments, metals fare better at temperatures above than below the dewpoint. Thus, in moderate temperature regimes, elevated temperatures may be useful rather than detrimental for exposures of metal to air. In liquid environments, relatively complex radiolysis reactions can occur, particularly where multiple species are present. A dry environment largely obviates radiolysis effects

Durability of metals from archaeological objects, metal meteorites, and native metals

Energy Technology Data Exchange (ETDEWEB)

Johnson, A.B. Jr.; Francis, B.

1980-01-01

Metal durability is an important consideration in the multi-barrier nuclear waste storage concept. This study summarizes the ancient metals, the environments, and factors which appear to have contributed to metal longevity. Archaeological and radiochemical dating suggest that human use of metals began in the period 6000 to 7000 BC. Gold is clearly the most durable, but many objects fashioned from silver, copper, bronze, iron, lead, and tin have survived for several thousand years. Dry environments, such as tombs, appear to be optimum for metal preservation, but some metals have survived in shipwrecks for over a thousand years. The metal meteorites are Fe-base alloys with 5 to 60 wt% Ni and minor amounts of Co, I, and S. Some meteoritic masses with ages estimated to be 5,000 to 20,000 years have weathered very little, while other masses from the same meteorites are in advanced stages of weathering. Native metals are natural metallic ores. Approximately five million tonnes were mined from native copper deposits in Michigan. Copper masses from the Michigan deposits were transported by the Pleistocene glaciers. Areas on the copper surfaces which appear to represent glacial abrasion show minimal corrosion. Dry cooling tower technology has demonstrated that in pollution-free moist environments, metals fare better at temperatures above than below the dewpoint. Thus, in moderate temperature regimes, elevated temperatures may be useful rather than detrimental for exposures of metal to air. In liquid environments, relatively complex radiolysis reactions can occur, particularly where multiple species are present. A dry environment largely obviates radiolysis effects.

Treatment Of Metal-Mine Effluents By Limestone Neutralization And Calcite Co-Precipitation (Presentation)

Science.gov (United States)

The U.S. Geological Survey - Leetown Science Center and the Colorado School of Mines have developed a remediation process for the treatment of metals in circumneutral mining influenced waters. The process involves treatment with a pulsed limestone bed (PLB) system, followed by c...

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

Science.gov (United States)

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

2014-08-01

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

Corrosion Research Center of the University of Minnesota. Progress report, January 1-December 31, 1981

International Nuclear Information System (INIS)

Oriani, R.A.

1982-01-01

Many of the projects which began with the inception of the Corrosion Research Center in early 1980 have progressed from the stage of acquisition and assembly of apparatus to that of generation of research results. In the area of research on surface reactions, notable progress has been made on the microscopic theory of corrosion, most importantly the recognition that the quantum mechanical depletion layer at the metal layer makes an appreciable contribution to the potential drop across the metal-electrolyte interface and to the capacitance of the interface

Coexistence of ductile and brittle fracture in metals

International Nuclear Information System (INIS)

Ohr, S.M.; Chang, S.J.; Park, C.G.; Thomson, R.

1985-01-01

It is well known that semibrittle body-centered cubic (bcc) metals fail at low temperatures by cleavage that is preceded by crack tip deformation. Sinclair and Finnis proposed a mechanism by which crack tip deformation may be combined with brittle crack extension. In this model, edge dislocations are emitted from a crack tip on an inclined plane under pure mode I loading conditions. The authors propose a new mechanism of brittle fracture of semibrittle metals preceded by crack tip deformation by extending the model of Sinclair and Finnis and by incorporating experimental evidence on mixed mode crack propagation observed by transmission electron microscopy (TEM). They have shown experimentally that, even when the orientation of the dislocations in the plastic zone indicated pure mode III crack tip deformation, the crack opening displacement determined from the relative displacement of the crack flanks showed the presence of an additional mode I component. They have also shown that zigzag crack propagation observed in many metals can occur only if mode I cleavage is superimposed to mode II crack tip deformation

Recent Advances in Antimicrobial Hydrogels Containing Metal Ions and Metals/Metal Oxide Nanoparticles

Directory of Open Access Journals (Sweden)

Fazli Wahid

2017-11-01

Full Text Available Recently, the rapid emergence of antibiotic-resistant pathogens has caused a serious health problem. Scientists respond to the threat by developing new antimicrobial materials to prevent or control infections caused by these pathogens. Polymer-based nanocomposite hydrogels are versatile materials as an alternative to conventional antimicrobial agents. Cross-linking of polymeric materials by metal ions or the combination of polymeric hydrogels with nanoparticles (metals and metal oxide is a simple and effective approach for obtaining a multicomponent system with diverse functionalities. Several metals and metal oxides such as silver (Ag, gold (Au, zinc oxide (ZnO, copper oxide (CuO, titanium dioxide (TiO2 and magnesium oxide (MgO have been loaded into hydrogels for antimicrobial applications. The incorporation of metals and metal oxide nanoparticles into hydrogels not only enhances the antimicrobial activity of hydrogels, but also improve their mechanical characteristics. Herein, we summarize recent advances in hydrogels containing metal ions, metals and metal oxide nanoparticles with potential antimicrobial properties.

''Heat Transfer at the Mold-Metal Interface in Permanent Mold Casting of Aluminum Alloys'' Final Project Report; FINAL

International Nuclear Information System (INIS)

Pehlke, R. D.; Cookson, John M.; Shouwei Hao; Prasad Krishna; Bilkey, Kevin T.

2001-01-01

This project on heat transfer coefficients in metal permanent mold casting has been conducted in three areas. They are the theoretical study at the University of Michigan, the experimental investigation of squeeze casting at CMI-Tech Center (Now Hayes-Lemmerz Technical Center) and the experimental investigation of low pressure permanent mold casting at Amcast Automotive

Preparative Radiation Chemistry of Transition Metal Complexes; Radiosynthese de complexes de metaux de transition; Radiatsionno-khimicheskij sintez kompleksnykh soedinenij perekhodnykh metallov; Radiosintesis de complejos de los metales de transicion

Energy Technology Data Exchange (ETDEWEB)

Gustorf, E. Koerner Von; Jun, M. -J.; Koller, H.; Schenck, G. O. [Max-Planck-Institut fuer Kohlenforschung, Abteilung Strahlenchemie, Muelheim-Ruhr, Federal Republic of Germany (Germany)

1963-11-15

{pi}-complexes and carbonyl compounds of transition metals have a technical importance because of their special reactivity and catalytic activity. The following investigations have been made by us: 1. Radiation chemical synthesis of transition metal {pi}- complexes Examples are the preparation of maleic-acid-anhydride-iron-tetracarbonyl, fumaric-acid-dimethylesteriron- tetracarbonyl, methacrylic-acid-methylester-iron-tetracarbonyl, vinylacetate-iron-tetiacarbonyl, etc. by Co{sup 60} {gamma}-irradiation of Fe(CO){sub 5} and the corresponding unsaturated compounds. 2. Chemical reactions with radiation-chemically formed {pi}-complexes Examples are the polymerization of vinyl compounds at room temperature by the action of organic halogen compounds on complexes such as methacryl-acid-methylester-iron-tetracarbonyl, vinylacetate-iron- tetracarbonyl, etc. 3. Synthesis of {pi}-complexes and carbonyl compounds of transition metals by irradiation Examples are the Co{sup 60} {gamma}-irradiation of [(C{sub 5}H{sub 5}){sub 2}Fe], [(C{sub 5}H{sub 5}){sub 2N}i], CH{sub 3}C{sub 5}H{sub 4}Mn(CO){sub 3}, (C{sub 5}H{sub 5})TiCl{sub 2},Fe(CO){sub 5}, Ni(CO){sub 4} , in halogen hydrocarbons. (author) [French] Les complexes {pi} et les composes carbonyles des metaux de transition ont une importance du point de vue technique en raison de leur reactivite speciale et de leur activite catalytique. L'auteur a fait des experiences sur les questions suivantes: 1. Radiosynthese de complexes {pi} de metaux de transition. Exemple: preparation d'anhydride maleique-fer tetracarbonyle, de fumarate de dimethyle-fer tetracarbonyle, de methacrylate de methyle-fer tetracarbonyl, d'acetate de vinyle-fer tetracarbonyle, etc., par exposition de Fe(CO){sub 5} et des composes non satures correspondant aux rayons gamma du cobalt-60. 2. Reactions chimiques avec des complexes n formes par voie radiochimique. Exemple: polymerisation de composes vinyliques a temperature ambiante en presence de composes organiques

Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.

Science.gov (United States)

Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella

2017-06-28

We have investigated the influence of bound cations on the reduction of cobalt complexes of redox active ligands and explored the reactivity of reduced species with CO 2 . The one electron reduction of [Co II ( R salophen)] with alkali metals (M = Li, Na, K) leads to either ligand-centered or metal-centered reduction depending on the alkali ion. It affords either the [Co I ( R salophen)K] complexes or the [Co II 2 (bis-salophen)M 2 ] (M = Li, Na) dimers that are present in solution in equilibrium with the respective [Co I (salophen)M] complexes. The two electron reduction of [Co II ( OMe salophen)] results in both ligand centered and metal centered reduction affording the Co(I)-Co(II)-Co(I) [Co 3 (tris- OMe salophen)Na 6 (THF) 6 ], 6 complex supported by a bridging deca-anionic tris- OMe salophen 10- ligand where three OMe salophen units are connected by two C-C bonds. Removal of the Na ion from 6 leads to a redistribution of the electrons affording the complex [(Co( OMe salophen)) 2 Na][Na(cryptand)] 3 , 7. The EPR spectrum of 7 suggests the presence of a Co(I) bound to a radical anionic ligand. Dissolution of 7 in pyridine leads to the isolation of [Co I 2 (bis- OMe salophen)Na 2 Py 4 ][Na(cryptand)] 2 , 8. Complex 6 reacts with ambient CO 2 leading to multiple CO 2 reduction products. The product of CO 2 addition to the OMe salophen ligand, [Co( OMe salophen-CO 2 )Na] 2 [Na(cryptand)] 2 , 9, was isolated but CO 3 2- formation in 53% yield was also detected. Thus, the electrons stored in the reversible C-C bonds may be used for the transformation of carbon dioxide.

Peptide-mediated vectorization of metal complexes: conjugation strategies and biomedical applications.

Science.gov (United States)

Soler, Marta; Feliu, Lidia; Planas, Marta; Ribas, Xavi; Costas, Miquel

2016-08-16

The rich chemical and structural versatility of transition metal complexes provides numerous novel paths to be pursued in the design of molecules that exert particular chemical or physicochemical effects that could operate over specific biological targets. However, the poor cell permeability of metallodrugs represents an important barrier for their therapeutic use. The conjugation between metal complexes and a functional peptide vector can be regarded as a versatile and potential strategy to improve their bioavailability and accumulation inside cells, and the site selectivity of their effect. This perspective lies in reviewing the recent advances in the design of metallopeptide conjugates for biomedical applications. Additionally, we highlight the studies where this approach has been directed towards the incorporation of redox active metal centers into living organisms for modulating the cellular redox balance, as a tool with application in anticancer therapy.

Effect of carbon ion implantation on the tribology of metal-on-metal bearings for artificial joints

Directory of Open Access Journals (Sweden)

Koseki H

2017-05-01

Full Text Available Hironobu Koseki,1 Masato Tomita,2 Akihiko Yonekura,2 Takashi Higuchi,1 Sinya Sunagawa,2 Koumei Baba,3,4 Makoto Osaki2 1Department of Locomotive Rehabilitation Science, Unit of Rehabilitation Sciences, 2Department of Orthopedic Surgery, Nagasaki University Graduate School of Biomedical Sciences, Sakamoto, Nagasaki, Japan; 3Industrial Technology Center of Nagasaki, Ikeda, Omura, Nagasaki, Japan; 4Affiliated Division, Nagasaki University School of Engineering, Bunkyo, Nagasaki, Japan Abstract: Metal-on-metal (MoM bearings have become popular due to a major advantage over metal-on-polymer bearings for total hip arthroplasty in that the larger femoral head and hydrodynamic lubrication of the former reduce the rate of wear. However, concerns remain regarding adverse reactions to metal debris including metallosis caused by metal wear generated at the taper-head interface and another modular junction. Our group has hypothesized that carbon ion implantation (CII may improve metal wear properties. The purpose of this study was to investigate the wear properties and friction coefficients of CII surfaces with an aim to ultimately apply these surfaces to MoM bearings in artificial joints. CII was applied to cobalt-chromium-molybdenum (Co-Cr-Mo alloy substrates by plasma source ion implantation. The substrates were characterized using scanning electron microscopy and a 3D measuring laser microscope. Sliding contact tests were performed with a simple geometry pin-on-plate wear tester at a load of 2.5 N, a calculated contact pressure of 38.5 MPa (max: 57.8 MPa, a reciprocating velocity of 30 mm/s, a stroke length of 60 mm, and a reciprocating cycle count of 172,800 cycles. The surfaces of the CII substrates were generally featureless with a smooth surface topography at the same level as untreated Co-Cr-Mo alloy. Compared to the untreated Co-Cr-Mo alloy, the CII-treated bearings had lower friction coefficients, higher resistance to catastrophic damage, and

Study of helium diffusion, implanted at a cyclotron, in face-centered cubic metals: Au, Ag and Al

International Nuclear Information System (INIS)

Sciani, V.

1985-01-01

Helium in metals is produced by nuclear reactions of energetic particles. In nuclear technology the interest on helium in metals is import, due to its production by (n, α) reaction. Because helium has extremely low solubility in metals, the precipitation in the form of filled bubbles at elevated temperatures occurs, which have detrimental effects on mechanical properties and may limit the lifetime of structural components. One typical example is the high temperature embrittlement. The nucleation and growth of the bubbles strongly depends on the mobility of the helium. This work presents the study of helium diffusion in Au, Ag and Al at temperatures above room temperature. The helium created by (n, α) reactions has been simulated by homogeneous alpha particles implantation in cyclotron, at room temperature, in specimens of thicknesses between 5 and 50 μm and helium concentration between 10 -3 to 10 ppm. After implantation, the specimens were dropped in a furnace in a UHV-chamber and the diffusion was measured by observing the He-release during linear and isothermal annealings. The occurence of free diffusion was comparing the dependence of release kinetics on helium concentration, sample thickness, time and heating rate to diffusion theory and is clearly separeted from agglomeration process. The diffusion constants of helium in Au, Ag and Al follow an Arrhenius behavior, with: Au:D o =10 -1.0 cm 2 /s ΔH=1.70eV Ag:D 0 =10 -1.2 cm 2 /s ΔH=1.51eV Al:D o =10 +0.5 cm 2 /s ΔH=1.40eV. The results are compared to self-diffusion and to the diffusion of other gases in these metals. Comparison with theoretical estimates favours the vacancy mechanism for helium diffusion in Au, Ag and Al. (author) [pt

Raising the shields: PCR in the presence of metallic surfaces protected by tailor-made coatings.

Science.gov (United States)

Scherag, Frank D; Brandstetter, Thomas; Rühe, Jürgen

2014-10-01

The implementation of PCR reactions in the presence of metallic surfaces is interesting for the generation of novel bioanalytical devices, because metals exhibit high mechanical stability, good thermal conductivity, and flexibility during deformation. However, metallic substrates are usually non-compatible with enzymatic reactions such as PCR due to poisoning of the active center of the enzyme or nonspecific adsorption of the enzymeto the metal surface, which could result in protein denaturation. We present a method for the generation of polymer coatings on metallic surfaces which are designed to minimize protein adsorption and also prevent the release of metal ions. These coatings consist of three layers covalently linked to each other; a self-assembled monolayer to promote adhesion, a photochemically generated barrier layer and a photochemically generated hydrogel. The coatings can be deposited onto aluminum, stainless steel, gold and copper surfaces. We compare PCR efficiencies in the presence of bare metallic surfaces with those of surfaces treated with the novel coating system. Copyright © 2014 Elsevier B.V. All rights reserved.

The fundamental structural factor in determining the glass-forming ability and mechanical behavior in the Cu-Zr metallic glasses

International Nuclear Information System (INIS)

Sha, Z.D.; Feng, Y.P.; Li, Y.

2011-01-01

Research highlights: → A weak but significant hump in trend of the coordinate number and density was observed, respectively. → Our findings indicate our simulation is more accurate to describe the atomic structure of Cu-Zr MGs. The composition-structure-properties correlation was established. → And the effective structural unit for this correlation is the Cu-centered full icosahedra. - Abstract: Using the large-scale atomic/molecular massively parallel simulator, the quantitative composition-structure-properties (including glass-forming ability (GFA) and mechanical behavior) correlations in the Cu-Zr metallic glasses were established. The atomic-level origin of these correlations was tracked down. It was found that the Cu-centered full icosahedron is the microscopic factor that fundamentally influences both GFA and mechanical behavior. Our findings have implications for understanding the nature, forming ability and properties of metallic glasses, and for searching novel metallic glasses with unique functional properties.

Calculation of binary phase diagrams between the actinide elements, rare earth elements, and transition metal elements

International Nuclear Information System (INIS)

Selle, J.E.

1992-01-01

Attempts were made to apply the Kaufman method of calculating binary phase diagrams to the calculation of binary phase diagrams between the rare earths, actinides, and the refractory transition metals. Difficulties were encountered in applying the method to the rare earths and actinides, and modifications were necessary to provide accurate representation of known diagrams. To calculate the interaction parameters for rare earth-rare earth diagrams, it was necessary to use the atomic volumes for each of the phases: liquid, body-centered cubic, hexagonal close-packed, and face-centered cubic. Determination of the atomic volumes of each of these phases for each element is discussed in detail. In some cases, empirical means were necessary. Results are presented on the calculation of rare earth-rare earth, rare earth-actinide, and actinide-actinide diagrams. For rare earth-refractory transition metal diagrams and actinide-refractory transition metal diagrams, empirical means were required to develop values for the enthalpy of vaporization for rare earth elements and values for the constant (C) required when intermediate phases are present. Results of using the values determined for each element are presented

CFA-7: an interpenetrated metal-organic framework of the MFU-4 family.

Science.gov (United States)

Schmieder, Phillip; Grzywa, Maciej; Denysenko, Dmytro; Hambach, Manuel; Volkmer, Dirk

2015-08-07

The novel interpenetrated metal-organic framework CFA-7 (Coordination Framework Augsburg University-7), [Zn5Cl4(tqpt)3], has been synthesized containing the organic linker {H2-tqpt = 6,6,14,14-tetramethyl-6,14-dihydroquinoxalino[2,3-b]phenazinebistriazole}. Reaction of H2-tqpt and anhydrous ZnCl2 in N,N-dimethylformamide (DMF) yields CFA-7 as pseudo-cubic crystals. CFA-7 serves as precursor for the synthesis of isostructural frameworks with redox-active metal centers, which is demonstrated by postsynthetic metal exchange of Zn(2+) by different M(2+) (M = Co, Ni, Cu) ions. The novel framework is robust upon solvent removal and has been structurally characterized by single-crystal X-ray diffraction, TGA and IR spectroscopy, as well as gas sorption (Ar, CO2 and H2).

Extraction process for removing metallic impurities from alkalide metals

Science.gov (United States)

Royer, Lamar T.

1988-01-01

A development is described for removing metallic impurities from alkali metals by employing an extraction process wherein the metallic impurities are extracted from a molten alkali metal into molten lithium metal due to the immiscibility of the alkali metals in lithium and the miscibility of the metallic contaminants or impurities in the lithium. The purified alkali metal may be readily separated from the contaminant-containing lithium metal by simple decanting due to the differences in densities and melting temperatures of the alkali metals as compared to lithium.

Metal-carbon nanosystem IR-PVA/Fe-Co for catalysis in the Fischer-Tropsch synthesis

International Nuclear Information System (INIS)

Vasilev, A A; Dzidziguri, E L; Ivantsov, M I; Efimov, M N

2016-01-01

Metal-carbon nanosystems consisting of nanodimensional bimetallic particles of Fe- Co dispersed in a carbon matrix for the Fischer-Tropsch synthesis were studied. Prepared metal-carbon nanopowders samples were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM) and scanning electron microscopy (SEM). It was shown formation of FeCo nanoparticles with body-centered cubic structures started at 400 °C. FeCo nanoparticles have spherical form, the mean size is 7 - 12 nm and uniform distribution in a carbon matrix. The metal-carbon nanosystem demonstrates a catalytic activity in the Fischer- Tropsch synthesis. The maximum yield of liquid hydrocabons C 5+ was 92 g/m 3 while the selectivity for the target product - 35%. (paper)

Metal-metal-hofteproteser

DEFF Research Database (Denmark)

Ulrich, Michael; Overgaard, Søren; Penny, Jeannette

2014-01-01

In Denmark 4,456 metal-on-metal (MoM) hip prostheses have been implanted. Evidence demonstrates that some patients develope adverse biological reactions causing failures of MoM hip arthroplasty. Some reactions might be systemic. Failure rates are associated with the type and the design of the Mo...

A metal-free general procedure for oxidation of secondary amines to nitrones.

Science.gov (United States)

Gella, Carolina; Ferrer, Eric; Alibés, Ramon; Busqué, Félíx; de March, Pedro; Figueredo, Marta; Font, Josep

2009-08-21

An efficient and metal-free protocol for direct oxidation of secondary amines to nitrones has been developed, using Oxone in a biphasic basic medium as the sole oxidant. The method is general and tolerant with other functional groups or existing stereogenic centers, providing rapid access to enantiomerically pure compounds in good yields.

Stern-Center Potsdam; Stern-Center Potsdam

Energy Technology Data Exchange (ETDEWEB)

Anon.

1999-07-01

The ''Stern-Center Potsdam'' is a star-shaped shopping mall in the city center. [German] Das Stern-Center in Potsdam bietet als Einkaufszentrum vor den Toren Berlins Platz fuer eine Vielzahl von Geschaeften. Die sternfoermige Gebaeudestruktur des Centers bildet den Mittelpunkt des Stadtviertels 'Am Stern'. (orig.)

Characterization of the porous anodic alumina nanostructures with a metal interlayer on Si substrates

Energy Technology Data Exchange (ETDEWEB)

Fang, Chia-Hui; Chen, Hung-Ing; Hsiao, Jui-Ju; Wang, Jen-Cheng; Nee, Tzer-En, E-mail: neete@mail.cgu.edu.tw

2014-04-15

Porous anodic alumina (PAA) films produced by the anodization technique have made possible the mass production of porous nano-scale structures where the pore height and diameter are controllable. A metal interlayer is observed to have a significant influence on the characteristics of these PAA nanostructures. In this study, we investigate in-depth the effect of the current density on the properties of porous anodic alumina nanostructures with a metal interlayer. A thin film layer of tungsten (W) and titanium (Ti) was sandwiched between a porous anodic alumina film and a silicon (Si) substrate to form PAA/W/Si and PAA/Ti/Si structures. The material and optical characteristics of the porous anodic alumina nanostructures, with and without a metal interlayer, on silicon substrates were studied using the scanning electron microscopy, X-ray diffraction (XRD), and temperature-dependent photoluminescence (PL) measurements. The current densities of the porous anodic alumina nanostructures with the metal interlayer are higher than for the PAA/Si, resulting in an increase of the growth rate of the oxide layer. It can be observed from the X-ray diffraction curves that there is more aluminum oxide inside the structure with the metal interlayer. Furthermore, it has been found that there is a reduction in the photoluminescence intensity of the oxygen vacancy with only one electron due to the formation of oxygen vacancies inside the aluminum oxide during the re-crystallization process. This leads to competition between the two kinds of different oxygen-deficient defect centers (F+ and F centers) in the carrier recombination mechanism from the PL spectra of the porous anodic alumina nanostructures, with and without a metal interlayer, on silicon substrates. -- Highlights: • Study of porous anodic alumina (PAA) films with metal interlayers on silicon. • The highly ordered PAA film with a fairly regular nano-porous structure. • The luminescence properties of PAA films were

ORO scrap metal decontamination program

International Nuclear Information System (INIS)

Jugan, M.

1987-01-01

The Oak Ridge Operations Office (ORO) of the US Department of Energy (DOE) has approximately 80,000 tons of contaminated scrap metal at the Oak Ridge Gaseous Diffusion Plant in Oak Ridge, Tennessee; Paducah Gaseous Diffusion Plant in Paducah, Kentucky; Portsmouth Gaseous Diffusion Plant in Piketon, Ohio; and the Feed Materials Production Center in Fernald, Ohio. After unsuccessful in-house attempts to eliminate/recycle the contaminated metal, DOE is allowing private enterprise the opportunity to participate in this program. DOE is making this opportunity available under a two-phase approach, which is being supported by two separate and corresponding Request for Proposals. Phase I, which is nearing completion, is a demonstration phase to establish a group of companies that the DOE will consider qualified to eliminate the scrap at one or more sites. In Phase I, the companies decontaminated 25-50 tons of scrap to demonstrate capabilities to DOE and to gain the knowledge required to plan/bid on elimination of the scrap at one or more sites. Phase II will request proposals for elimination of the total scrap at one or more of the above noted sites. Multiple awards for Phase II are also anticipated. Companies participating in Phase II will be required to take title to the contaminated scrap and decontaminate/process the scrap for beneficial reuse. Radioactive wastes and metal that cannot be successfully decontaminated/processed will be returned to DOE

Management options for recycling radioactive scrap metals

Energy Technology Data Exchange (ETDEWEB)

Dehmel, J.C.; MacKinney, J.; Bartlett, J.

1997-02-01

The feasibility and advantages of recycling radioactive scrap metals (RSM) have yet to be assessed, given the unique technical, regulatory, safety, and cost-benefit issues that have already been raised by a concerned recycling industry. As is known, this industry has been repeatedly involved with the accidental recycling of radioactive sources and, in some cases, with costly consequences. If recycling were deemed to be a viable option, it might have to be implemented with regulatory monitoring and controls. Its implementation may have to consider various and complex issues and address the requirements and concerns of distinctly different industries. There are three basic options for the recycling of such scraps. They are: (1) recycling through the existing network of metal-scrap dealers and brokers, (2) recycling directly and only with specific steelmills, or (3) recycling through regional processing centers. Under the first option, scrap dealers and brokers would receive material from RSM generators and determine at which steelmills such scraps would be recycled. For the second option, RSM generators would deal directly with selected steelmills under specific agreements. For the third option, generators would ship scraps only to regional centers for processing and shipment to participating steelmills. This paper addresses the potential advantages of each option, identifies the types of arrangements that would need to be secured among all parties, and attempts to assess the receptivity of the recycling industry to each option.

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

Science.gov (United States)

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.

Vacancies in transition metals

International Nuclear Information System (INIS)

Allan, G.; Lannoo, M.

1976-01-01

A calculation of the formation energy and volume for a vacancy in transition metals is described. A tight-binding scheme is used for the d band and a Born-Mayer type potential to account for the repulsive part of the energy at small distances. The results show that the relaxation energy is small in all cases, less than 0.1 eV. This seems to be coherent with the good agreement obtained for the theoretical and experimental values of the formation energy Esub(F)sup(V) of the vacancy, without including relaxation. The center of the transitional series is found to give a contraction (Formation volume of order -0.4 at.vol.) whereas the edges are found to produce dilations. (author)

A Review of Permanent Magnet Stirring During Metal Solidification

Science.gov (United States)

Zeng, Jie; Chen, Weiqing; Yang, Yindong; Mclean, Alexander

2017-12-01

Rather than using conventional electromagnetic stirring (EMS) with three-phase alternating current, permanent magnet stirring (PMS), based on the use of sintered NdFeB material which has excellent magnetic characteristics, can be employed to generate a magnetic field for the stirring of liquid metal during solidification. Recent experience with steel casting indicates that PMS requires less than 20 pct of the total energy compared with EMS. Despite the excellent magnetic density properties and low power consumption, this relatively new technology has received comparatively little attention by the metal casting community. This paper reviews simulation modeling, experimental studies, and industrial trials of PMS conducted during recent years. With the development of magnetic simulation software, the magnetic field and associated flow patterns generated by PMS have been evaluated. Based on the results obtained from laboratory experiments, the effects of PMS on metal solidification structures and typical defects such as surface pinholes and center cavities are summarized. The significance of findings obtained from trials of PMS within the metals processing sector, including the continuous casting of steel, are discussed with the aim of providing an overview of the relevant parameters that are of importance for further development and industrial application of this innovative technology.

Nuclear techniques to identify allergenic metals in orthodontic brackets

International Nuclear Information System (INIS)

Zenobio, E.G.; Zenobio, M.A.F.; Menezes, M.A.B.C.

2009-01-01

The present study determines the elementary alloy composition of ten commercial brands of brackets, especially related to Ni, Cr, and Co metals, confirmed allergenic elements. The nuclear techniques applied in the analyses were X-ray fluorescence (XRF) - Centre National de la Recherche Scientifique, France (National Center of Scientific Research), and X-ray energy spectrometry (XRES), and Instrumental Neutron Activation Analysis (INAA) - CDTN/CNEN, Brazil. The XRES and XRF techniques identified Cr in the 10 samples analyzed and Ni in eight samples. The INAA technique identified the presence of Cr (14% to 19%) and Co (42% to 2400 ppm) in all samples. The semi-quantitative analysis performed by XRF also identified Co in two samples. The techniques were effective in the identification of metals in orthodontic brackets. The elements identified in this study can be considered one of the main reason for the allergic processes among the patients studied. This finding suggests that the patients should be tested for allergy and allergenic sensibility to metals prior to the prescription of orthodontic device. (author)

Metal-on-metal hip joint tribology.

Science.gov (United States)

Dowson, D; Jin, Z M

2006-02-01

The basic tribological features of metal-on-metal total hip replacements have been reviewed to facilitate an understanding of the engineering science underpinning the renaissance of these hard-on-hard joints. Metal-on-polymer hip replacements operate in the boundary lubrication regime, thus leading to the design guidance to reduce the femoral head diameter as much as is feasible to minimize frictional torque and volumetric wear. This explains why the gold-standard implant of this form from the past half-century had a diameter of only 22.225 mm (7/8 in). Metal-on-metal implants can operate in the mild mixed lubrication regime in which much of the applied load is supported by elastohydrodynamic films. Correct tribological design leads to remarkably low steady state wear rates. Promotion of the most effective elastohydrodynamic films calls for the largest possible head diameters and the smallest clearances that can reasonably be adopted, consistent with fine surface finishes, good sphericity and minimal structural elastic deformation of the cup on its foundations. This guidance, which is opposite in form to that developed for metal-on-polymer joints, is equally valid for solid (monolithic) metallic heads on metallic femoral stems and surface replacement femoral shells. Laboratory measurements of friction and wear in metal-on-metal joints have confirmed their potential to achieve a very mild form of mixed lubrication. The key lies in the generation of effective elastohydrodynamic lubricating films of adequate thickness compared with the composite roughness of the head and cup. The calculation of the film thickness is by no means easy, but the full procedure is outlined and the use of an empirical formula that displays good agreement with calculations based upon the full numerical solutions is explained. The representation of the lambda ratio, lambda, embracing both film thickness and composite roughness, is described.

KINEMATICS OF EXTREMELY METAL-POOR GALAXIES: EVIDENCE FOR STELLAR FEEDBACK

Energy Technology Data Exchange (ETDEWEB)

Olmo-García, A.; Sánchez Almeida, J.; Muñoz-Tuñón, C.; Filho, M. E. [Instituto Astrofísica de Canarias, E-38200 La Laguna, Tenerife (Spain); Elmegreen, B. G. [IBM Research Division, T. J. Watson Research Center, Yorktown Heights, NY 10598 (United States); Elmegreen, D. M. [Department of Physics and Astronomy, Vassar College, Poughkeepsie, NY 12604 (United States); Pérez-Montero, E. [Instituto de Astrofísica de Andalucía, CSIC, Granada (Spain); Méndez-Abreu, J., E-mail: jos@iac.es [School of Physics and Astronomy, University of St Andrews, St Andrews (United Kingdom)

2017-01-10

The extremely metal-poor (XMP) galaxies analyzed in a previous paper have large star-forming regions with a metallicity lower than the rest of the galaxy. Such a chemical inhomogeneity reveals the external origin of the metal-poor gas fueling star formation, possibly indicating accretion from the cosmic web. This paper studies the kinematic properties of the ionized gas in these galaxies. Most XMPs have a rotation velocity around a few tens of km s{sup −1}. The star-forming regions appear to move coherently. The velocity is constant within each region, and the velocity dispersion sometimes increases within the star-forming clump toward the galaxy midpoint, suggesting inspiral motion toward the galaxy center. Other regions present a local maximum in velocity dispersion at their center, suggesting a moderate global expansion. The H α line wings show a number of faint emission features with amplitudes around a few per cent of the main H α component, and wavelength shifts between 100 and 400 km s{sup −1}. The components are often paired, so that red and blue emission features with similar amplitudes and shifts appear simultaneously. Assuming the faint emission to be produced by expanding shell-like structures, the inferred mass loading factor (mass loss rate divided by star formation rate) exceeds 10. Since the expansion velocity far exceeds the rotational and turbulent velocities, the gas may eventually escape from the galaxy disk. The observed motions involve energies consistent with the kinetic energy released by individual core-collapse supernovae. Alternative explanations for the faint emission have been considered and discarded.

Testing for lead in toys at day care centers.

Science.gov (United States)

Sanders, Martha; Stolz, Julie; Chacon-Baker, Ashley

2013-01-01

Exposure to lead-based paint or material has been found to impact children's cognitive and behavioral development at blood lead levels far below current standards. The purpose of the project was to screen for lead in toy items in daycare centers in order to raise awareness of inside environmental lead exposures and minimize lead-based exposures for children. Occupational therapy students in a service learning class tested for lead in ten daycare or public centers using the XRF Thermo Scientific Niton XL3t, a method accepted by the Consumer Product Safety Commission (CPSC). A total of 460 items were tested over a two-month period for an average of 66 toys per setting. Fifty six (56) items tested > 100 ppm, which represented 12% of the entire sample. Items with high lead levels included selected toys constructed with lead-based paint, lead metals, plastics using lead as a color enhancer, and decorative objects. While the actual number of lead-based products is small, the cumulative exposure or habitual use may pose an unnecessary risk to children. Indoor exposures occurred for all day care centers regardless of socio-economic levels. Recommendations to minimize exposures are provided.

Space-time quantitative source apportionment of soil heavy metal concentration increments.

Science.gov (United States)

Yang, Yong; Christakos, George; Guo, Mingwu; Xiao, Lu; Huang, Wei

2017-04-01

Assessing the space-time trends and detecting the sources of heavy metal accumulation in soils have important consequences in the prevention and treatment of soil heavy metal pollution. In this study, we collected soil samples in the eastern part of the Qingshan district, Wuhan city, Hubei Province, China, during the period 2010-2014. The Cd, Cu, Pb and Zn concentrations in soils exhibited a significant accumulation during 2010-2014. The spatiotemporal Kriging technique, based on a quantitative characterization of soil heavy metal concentration variations in terms of non-separable variogram models, was employed to estimate the spatiotemporal soil heavy metal distribution in the study region. Our findings showed that the Cd, Cu, and Zn concentrations have an obvious incremental tendency from the southwestern to the central part of the study region. However, the Pb concentrations exhibited an obvious tendency from the northern part to the central part of the region. Then, spatial overlay analysis was used to obtain absolute and relative concentration increments of adjacent 1- or 5-year periods during 2010-2014. The spatial distribution of soil heavy metal concentration increments showed that the larger increments occurred in the center of the study region. Lastly, the principal component analysis combined with the multiple linear regression method were employed to quantify the source apportionment of the soil heavy metal concentration increments in the region. Our results led to the conclusion that the sources of soil heavy metal concentration increments should be ascribed to industry, agriculture and traffic. In particular, 82.5% of soil heavy metal concentration increment during 2010-2014 was ascribed to industrial/agricultural activities sources. Using STK and SOA to obtain the spatial distribution of heavy metal concentration increments in soils. Using PCA-MLR to quantify the source apportionment of soil heavy metal concentration increments. Copyright © 2017

The role of chloride in the mechanism of O(2) activation at the mononuclear nonheme Fe(II) center of the halogenase HctB.

Science.gov (United States)

Pratter, Sarah M; Light, Kenneth M; Solomon, Edward I; Straganz, Grit D

2014-07-02

Mononuclear nonheme Fe(II) (MNH) and α-ketoglutarate (α-KG) dependent halogenases activate O2 to perform oxidative halogenations of activated and nonactivated carbon centers. While the mechanism of halide incorporation into a substrate has been investigated, the mechanism by which halogenases prevent oxidations in the absence of chloride is still obscure. Here, we characterize the impact of chloride on the metal center coordination and reactivity of the fatty acyl-halogenase HctB. Stopped-flow kinetic studies show that the oxidative transformation of the Fe(II)-α-KG-enzyme complex is >200-fold accelerated by saturating concentrations of chloride in both the absence and presence of a covalently bound substrate. By contrast, the presence of substrate, which generally brings about O2 activation at enzymatic MNH centers, only has an ∼10-fold effect in the absence of chloride. Circular dichroism (CD) and magnetic CD (MCD) studies demonstrate that chloride binding triggers changes in the metal center ligation: chloride binding induces the proper binding of the substrate as shown by variable-temperature, variable-field (VTVH) MCD studies of non-α-KG-containing forms and the conversion from six-coordinate (6C) to 5C/6C mixtures when α-KG is bound. In the presence of substrate, a site with square pyramidal five-coordinate (5C) geometry is observed, which is required for O2 activation at enzymatic MNH centers. In the absence of substrate an unusual trigonal bipyramidal site is formed, which accounts for the observed slow, uncoupled reactivity. Molecular dynamics simulations suggest that the binding of chloride to the metal center of HctB leads to a conformational change in the enzyme that makes the active site more accessible to the substrate and thus facilitates the formation of the catalytically competent enzyme-substrate complex. Results are discussed in relation to other MNH dependent halogenases.

Influence of metal doping of a MOF-74 framework on hydrogen adsorption

Energy Technology Data Exchange (ETDEWEB)

Botas, J.A.; Calleja, G.; Orcajo, M.G. [Rey Juan Carlos Univ., Madrid (Spain). Dept. of Chemical and Energy Technology; Sanchez-Sanchez, M. [CSIC, Madrid (Spain). Inst. de Catalisis y Petroleoquimica

2010-07-01

Microporous Metal-Organic Framework (MOF) adsorbents are considered an interesting option for hydrogen storage. Due to their porous nature and unusually high surface areas, these materials show an exceptional H{sub 2} uptake. Unfortunately, their interaction with H{sub 2} molecules is weak, so cryogenic temperatures are required to reach competitive H{sub 2} storage capacities. In this sense, the presence of coordinatively unsaturated and exposed metal centers in some MOF frameworks could increase the affinity for H{sub 2} through stronger metal-H{sub 2} interactions. In this preliminary work, the effect of doping a Zn{sup 2+}-MOF-74 framework with Co{sup 2+}, Cu{sup 2+} and Mg{sup 2+} on its adsorption properties for H{sub 2} has been studied. Characterization studies suggest that the samples prepared have actually the MOF-74 structure, in which the different tested heteroatom ions have been successfully incorporated. The differences in H{sub 2} adsorption at 77 K and 87 K between the MOF-74 samples doped with the mentioned divalent metal ions were discussed as a function of their free pore volume and amount of metal incorporation. (orig.)

The lattice dynamics of six prominent B.C.C. transition metals

International Nuclear Information System (INIS)

Brescansin, L.M.; Padial, N.T.; Shukla, M.M.

1975-01-01

The frequency versus wave vector dispersion relations along the three principal symmetry directions, [xi00], [xixi0] and [xixixi], of six prominent body centered cubic transition metals, namely that of molybdenum, α-iron, tungsten, tantalum, niobium and that of chromium, have been computed on the basis of a phenomenological model. The calculated results are in very good agreements to the experimental findings

Clinical Outcomes of Self-Expandable Metal Stents for Malignant Rectal Obstruction.

Science.gov (United States)

Lee, Hyun Jung; Hong, Sung Pil; Cheon, Jae Hee; Kim, Tae Il; Kim, Won Ho; Park, Soo Jung

2018-01-01

Self-expandable metal stents are widely used to treat malignant colorectal obstruction. However, data on clinical outcomes of stent placement for rectal obstruction specifically are lacking. We aimed to investigate the clinical outcomes of self-expandable metal stents in malignant rectal obstruction in comparison with those in left colonic obstruction and to identify factors associated with clinical failure and complication. This was a retrospective study. The study was conducted at a tertiary care center. Between January 2005 and December 2013, medical charts of patients who underwent stent placement for malignant rectal or left colonic obstruction were reviewed retrospectively. Study intervention included self-expandable metal stent placement. Technical success, clinical success, and complications were measured. Technical success rates for the 2 study groups (rectum vs left colon, 93.5% vs 93.1%; p = 0.86) did not differ significantly; however, the clinical success rate was lower in patients with rectal obstruction (85.4% vs 92.1%; p = 0.02). In addition, the complication rate was higher in patients with rectal obstruction (37.4% vs 25.1%; p = 0.01). Patients with rectal obstruction showed higher rates of obstruction because of extracolonic malignancy (33.8% vs 15.8%; p stent use for palliation (78.6% vs 56.3%; p stent usage to be independent risk factors for clinical failure. Factors predictive of complications in the palliative group were total obstruction, obstruction because of extracolonic malignancy, and covered stent usage. This was a retrospective, single-center study. The efficacy and safety of stent placement for malignant rectal obstruction were comparable with those for left colonic obstruction. However, obstruction attributed to extracolonic malignancy, use of covered stents, and total obstruction negatively impacted clinical outcomes of self-expandable metal stent placement and must be considered by endoscopists. See Video Abstract at http

Predicting dietborne metal toxicity from metal influxes

Science.gov (United States)

Croteau, M.-N.; Luoma, S.N.

2009-01-01

Dietborne metal uptake prevails for many species in nature. However, the links between dietary metal exposure and toxicity are not well understood. Sources of uncertainty include the lack of suitable tracers to quantify exposure for metals such as copper, the difficulty to assess dietary processes such as food ingestion rate, and the complexity to link metal bioaccumulation and effects. We characterized dietborne copper, nickel, and cadmium influxes in a freshwater gastropod exposed to diatoms labeled with enriched stable metal isotopes. Metal influxes in Lymnaea stagnalis correlated linearly with dietborne metal concentrations over a range encompassing most environmental exposures. Dietary Cd and Ni uptake rate constants (kuf) were, respectively, 3.3 and 2.3 times higher than that for Cu. Detoxification rate constants (k detox) were similar among metals and appeared 100 times higher than efflux rate constants (ke). Extremely high Cu concentrations reduced feeding rates, causing the relationship between exposure and influx to deviate from linearity; i.e., Cu uptake rates leveled off between 1500 and 1800 nmol g-1 day-1. L. stagnalis rapidly takes up Cu, Cd, and Ni from food but detoxifies the accumulated metals, instead of reducing uptake or intensifying excretion. Above a threshold uptake rate, however, the detoxification capabilities of L. stagnalis are overwhelmed.

Metal Matrix Composite Solar Cell Metallization

Directory of Open Access Journals (Sweden)

Wilt David M.

2017-01-01

Full Text Available Advanced solar cells are moving to ever thinner formats in order to save mass and in some cases improve performance. As cells are thinned, the possibility that they may fracture or cleave due to mechanical stresses is increased. Fractures of the cell can degrade the overall device performance if the fracture propagates through the contact metallization, which frequently occurs. To address this problem, a novel semiconductor metallization system based on multi-walled carbon nanotube (CNT reinforcement, termed metal matrix composite (MMC metallization is under investigation. Electro-mechanical characterization of MMC films demonstrate their ability to provide electrical conductivity over >40 micron wide cracks in the underlying semiconductor, with the carbon nanotubes bridging the gap. In addition, these materials show a “self-healing” behaviour, electrically reconnecting at ~30 microns when strained past failure. Triple junction (TJ space cells with MMC metallization demonstrated no loss in Jsc after intentional fracture, whereas TJ cells with conventional metallization suffer up to 50% Jsc loss.

Multi-Stable Conductance States in Metallic Double-Walled Carbon Nanotubes

Directory of Open Access Journals (Sweden)

Ci Lijie

2009-01-01

Full Text Available Abstract Electrical transport properties of individual metallic double-walled carbon nanotubes (DWCNTs were measured down to liquid helium temperature, and multi-stable conductance states were found in DWCNTs. At a certain temperature, DWCNTs can switch continuously between two or more electronic states, but below certain temperature, DWCNTs are stable only at one of them. The temperature for switching is always different from tube to tube, and even different from thermal cycle to cycle for the same tube. In addition to thermal activation, gate voltage scanning can also realize such switching among different electronic states. The multi-stable conductance states in metallic DWCNTs can be attributed to different Fermi level or occasional scattering centers induced by different configurations between their inner and outer tubes.

Method of producing homogeneous mixed metal oxides and metal-metal oxide mixtures

International Nuclear Information System (INIS)

1980-01-01

Finely divided powders are prepared by first reacting an aqueous solution containing dissolved metal values with excess urea. After the reaction of water in the solution with urea is complete, the resulting molten urea solution is heated to cause metal values in solution to precipitate. The resulting mixture containing precipitated metal values is heated to evaporate volatile material, leaving a dry powder containing the metal values. Detailed examples are given. (U.K.)

Metal Exposures at three U.S. electronic scrap recycling facilities.

Science.gov (United States)

Ceballos, Diana; Beaucham, Catherine; Page, Elena

2017-06-01

Many metals found in electronic scrap are known to cause serious health effects, including but not limited to cancer and respiratory, neurologic, renal, and reproductive damage. The National Institute for Occupational Safety and Health, Centers for Disease Control and Prevention performed three health hazard evaluations at electronic scrap recycling facilities in the U.S. to characterize employee exposure to metals and recommend control strategies to reduce these exposures. We performed air, surface, and biological monitoring for metals. We found one overexposure to lead and two overexposures to cadmium. We found metals on non-production surfaces, and the skin and clothing of workers before they left work in all of the facilities. We also found some elevated blood lead levels (above 10 micrograms per deciliter), however no employees at any facility had detectable mercury in their urine or exceeded 34% of the OELs for blood or urine cadmium. This article focuses on sampling results for lead, cadmium, mercury, and indium. We provided recommendations for improving local exhaust ventilation, reducing the recirculation of potentially contaminated air, using respirators until exposures are controlled, and reducing the migration of contaminants from production to non-production areas. We also recommended ways for employees to prevent taking home metal dust by using work uniforms laundered on-site, storing personal and work items in separate lockers, and using washing facilities equipped with lead-removing cleaning products.

Behavior of solid matters and heavy metals during conductive drying process of sewage sludge

Directory of Open Access Journals (Sweden)

Jianping Luo

2016-12-01

Full Text Available Behavior of solid matters and heavy metals during conductive drying process of sewage sludge was evaluated in a sewage sludge disposal center in Beijing, China. The results showed most of solid matters could be retained in the dried sludge after drying. Just about 3.1% of solid matters were evaporated with steam mainly by the form of volatile fatty acids. Zn was the dominant heavy metal in the sludge, followed by Cu, Cr, Pb, Ni, Hg, and Cd. The heavy metals in the condensate were all below the detection limit except Hg. Hg in the condensate accounted for less than 0.1% of the total Hg. It can be concluded that most of the heavy metals are also retained in the dried sludge during the drying process, but their bioavailability could be changed significantly. The results are useful for sewage sludge utilization and its condensate treatment.

A magnetic resonance study of 3d transition metals and thermal donors in silicon

International Nuclear Information System (INIS)

Wezep, D.A. van.

1986-01-01

This thesis describes a study of 3d-transition metal impurities in silicon (titanium and iron in particular) and a study of oxygen-related heat-treatment centers in silicon, both carried out mainly by magnetic resonances techniques like EPR and ENDOR. 119 refs.; 31 figs.; 14 tabs

Information sharing guidebook for transportation management centers, emergency operations centers, and fusion centers

Science.gov (United States)

2010-06-01

This guidebook provides an overview of the mission and functions of transportation management centers, emergency operations centers, and fusion centers. The guidebook focuses on the types of information these centers produce and manage and how the sh...

Information sharing guidebook for transportation management centers, emergency operations centers, and fusion centers.

Science.gov (United States)

2010-06-01

This guidebook provides an overview of the mission and functions of transportation management centers, emergency operations centers, and fusion centers. The guidebook focuses on the types of information these centers produce and manage and how the sh...

Infection or metal hypersensitivity? The diagnostic challenge of failure in metal-on-metal bearings.

LENUS (Irish Health Repository)

Galbraith, John G

2011-04-01

The use of second generation metal-on-metal hip articulations has gained favour in the past few years. A hypersensitivity reaction to the metal-on-metal bearing, although rare, is a reported complication and is a novel mode of failure of these implants. Differentiating failure secondary to infection from failure secondary to metal hypersensitivity represents a significant diagnostic challenge. A retrospective review of all cases of hip arthroplasty using metal-on-metal bearings over a 5-year period at a tertiary referral centre identified 3 cases of failure secondary to metal hypersensitivity. Clinical presentation, serological markers, radiological imaging and histological analysis of all cases identified were evaluated. Histological analysis of periprosthetic tissue in all 3 cases identified characteristic features such as perivascular lymphocytic aggregates and chronic inflammation consistent with aseptic lymphocytic vasculitis-associated lesions (ALVAL). This study highlights that failure secondary to metal hypersensitivity must be considered in patients presenting with the reappearance of persistent pain, marked joint effusion, and the development of early osteolysis in the absence of infection.

Alkali metal and alkali metal hydroxide intercalates of the layered transition metal disulfides

International Nuclear Information System (INIS)

Kanzaki, Y.; Konuma, M.; Matsumoto, O.

1981-01-01

The intercalation reaction of some layered transition metal disulfides with alkali metals, alkali metal hydroxides, and tetraalkylammonium hydroxides were investigated. The alkali metal intercalates were prepared in the respective metal-hexamethylphosphoric triamide solutions in vaccuo, and the hydroxide intercalates in aqueous hydroxide solutions. According to the intercalation reaction, the c-lattice parameter was increased, and the increase indicated the expansion of the interlayer distance. In the case of alkali metal intercalates, the expansion of the interlayer distance increased continuously, corresponding to the atomic radius of the alkali metal. On the other hand, the hydroxide intercalates showed discrete expansion corresponding to the effective ionic radius of the intercalated cation. All intercalates of TaS 2 amd NbS 2 were superconductors. The expansion of the interlayer distance tended to increase the superconducting transition temperature in the intercalates of TaS 2 and vice versa in those of NbS 2 . (orig.)

Oligo-m-phenyleneoxalamide copper(II) mesocates as electro-switchable ferromagnetic metal-organic wires.

Science.gov (United States)

Pardo, Emilio; Ferrando-Soria, Jesús; Dul, Marie-Claire; Lescouëzec, Rodrigue; Journaux, Yves; Ruiz-García, Rafael; Cano, Joan; Julve, Miguel; Lloret, Francesc; Cañadillas-Delgado, Laura; Pasán, Jorge; Ruiz-Pérez, Catalina

2010-11-15

Double-stranded copper(II) string complexes of varying nuclearity, from di- to tetranuclear species, have been prepared by the Cu(II)-mediated self-assembly of a novel family of linear homo- and heteropolytopic ligands that contain two outer oxamato and either zero (1 b), one (2 b), or two (3 b) inner oxamidato donor groups separated by rigid 2-methyl-1,3-phenylene spacers. The X-ray crystal structures of these Cu(II) (n) complexes (n=2 (1 d), 3 (2 d), and 4 (3 d)) show a linear array of metal atoms with an overall twisted coordination geometry for both the outer CuN(2)O(2) and inner CuN(4) chromophores. Two such nonplanar all-syn bridging ligands 1 b-3 b in an anti arrangement clamp around the metal centers with alternating M and P helical chiralities to afford an overall double meso-helicate-type architecture for 1 d-3 d. Variable-temperature (2.0-300 K) magnetic susceptibility and variable-field (0-5.0 T) magnetization measurements for 1 d-3 d show the occurrence of S=nS(Cu) (n=2-4) high-spin ground states that arise from the moderate ferromagnetic coupling between the unpaired electrons of the linearly disposed Cu(II) ions (S(Cu)=1/2) through the two anti m-phenylenediamidate-type bridges (J values in the range of +15.0 to 16.8 cm(-1)). Density functional theory (DFT) calculations for 1 d-3 d evidence a sign alternation of the spin density in the meta-substituted phenylene spacers in agreement with a spin polarization exchange mechanism along the linear metal array with overall intermetallic distances between terminal metal centers in the range of 0.7-2.2 nm. Cyclic voltammetry (CV) and rotating-disk electrode (RDE) electrochemical measurements for 1 d-3 d show several reversible or quasireversible one- or two-electron steps that involve the consecutive metal-centered oxidation of the inner and outer Cu(II) ions (S(Cu)=1/2) to diamagnetic Cu(III) ones (S(Cu)=0) at relatively low formal potentials (E values in the range of

Research on NC laser combined cutting optimization model of sheet metal parts

Science.gov (United States)

Wu, Z. Y.; Zhang, Y. L.; Li, L.; Wu, L. H.; Liu, N. B.

2017-09-01

The optimization problem for NC laser combined cutting of sheet metal parts was taken as the research object in this paper. The problem included two contents: combined packing optimization and combined cutting path optimization. In the problem of combined packing optimization, the method of “genetic algorithm + gravity center NFP + geometric transformation” was used to optimize the packing of sheet metal parts. In the problem of combined cutting path optimization, the mathematical model of cutting path optimization was established based on the parts cutting constraint rules of internal contour priority and cross cutting. The model played an important role in the optimization calculation of NC laser combined cutting.

Interaction of natural complexing agents with soil bound heavy metals -geochemical and environmental technical aspects

International Nuclear Information System (INIS)

Fischer, K.

1994-01-01

The sanitation of heavy metal polluted soils requires the application of an adequate technology, which should be consistent in its ecological aims and methodology. Therefore a research programme has been developed at the 'Institute of Ecological Chemistry' of the 'GSF-Research Center', Neuherberg, which has its starting point in the study of influences of natural organic complexing agents on the chemical activity and dynamic of heavy metals in soils. The groundlaying idea is to elevate the concentration of complexing agents in the soil solution by additional application and possible stimulation of their microbial production to such an extent, that heavy metals will be enhanced solubilized, mobilized and removed together with the seepage water. Batch experiments in order to extract heavy metals from typical soil components (bentonite, peat) by amino acids demonstrate, that removal rates up to 95% can be obtained. (orig.) [de

Stress distribution at the dissimilar metal weld of safety injection nozzle according to safe-end length and SMW thickness

International Nuclear Information System (INIS)

Kim, Tae Jin; Jeong, Woo Chul; Huh, Nam Su

2015-01-01

In the present paper, we evaluate the effects of the safe-end length and thickness of the similar metal weld (SMW) of safety injection nozzles on stress distributions at the dissimilar metal weld (DMW). For this evaluation, we carry out detailed 2-D axisymmetric finite element analyses by considering four different values of the safe-end length and four different values of the thickness of SMW. Based on the results obtained, we found that the SMW thickness affects the axial stresses at the center of the DMW for the shorter safe-end length; on the other hand, it does not affect the hoop stresses. In terms of the safe-end length, the values of the axial and hoop stresses at the inner surface of the DMW center increase as the safe-end length increases. In particular, for the cases considered in the present study, the stress distributions at the DMW center can be categorized according to certain values of safe-end length

Studies of Lanthanide Transport in Metallic Fuel

Energy Technology Data Exchange (ETDEWEB)

Zhang, Jinsuo; Taylor, Christopher

2018-04-02

Metallic nuclear fuels were tested in fast reactor programs and performed well. However, metallic fuels have shown the phenomenon of FCCI that are due to deleterious reactions between lanthanide fission products and cladding material. As the burnup is increased, lanthanide fission products that contact with the cladding could react with cladding constituents such as iron and chrome. These reactions produce higher-melting intermetallic compounds and low-melting alloys, and weaken the mechanical integrity. The lanthanide interaction with clad in metallic fuels is recognized as a long-term, high-burnup cause of the clad failures. Therefore, one of the key concerns of using metallic fuels is the redistribution of lanthanide fission products and migration to the fuel surface. It is believed that lanthanide migration is in part due to the thermal gradient between the center and the fuel-cladding interface, but also largely in part due to the low solubility of lanthanides within the uranium-based metal fuel. PIE of EBR-II fuels shows that lanthanides precipitate directly and do not dissolve to an appreciable extent in the fuel matrix. Based on the PIE data from EBR-II, a recent study recommended a so-called “liquid-like” transport mechanism for lanthanides and certain other species. The liquid-like transport model readily accounts for redistribution of Ln, noble metal fission products, and cladding components in the fuel matrix. According to the novel mechanism, fission products can transport as solutes in liquid metals, such as liquid cesium or liquid cesium–sodium, and on pore surfaces and fracture surfaces for metals near their melting temperatures. Transport in such solutions is expected to be much more rapid than solid-state diffusion. The mechanism could explain the Ln migration to the fuel slug peripheral surface and their deposition with a sludge-like form. Lanthanides have high solubility in liquid cesium but have low solubility in liquid sodium. As a

Production of metal fullerene surface layer from various media in the process of steel carbonization

Directory of Open Access Journals (Sweden)

KUZEEV Iskander Rustemovich

2018-04-01

Full Text Available Studies devoted to production of metal fullerene layer in steels when introducing carbon from organic and inorganic media were performed. Barium carbonate was used as an inorganic medium and petroleum pitch was used as an organic medium. In order to generate the required amount of fullerenes in the process of steel samples carbonization, optimal temperature mode was found. The higher temperature, absorption and cohesive effects become less important and polymeric carbon structures destruction processes become more important. On the bottom the temperature is limited by petroleum pitch softening temperature and its transition to low-viscous state in order to enhance molecular mobility and improve the possibility of their diffusion to metal surface. Identification of fullerenes in the surface modified layer was carried out following the methods of IR-Fourier spectrometry and high-performance liquid chromatography. It was found out that nanocarbon structures, formed during carbonization in barium carbonate and petroleum pitch mediums, possess different morphology. In the process of metal carbonization from carbonates medium, the main role in fullerenes synthesis is belonged to catalytic effect of surface with generation of endohedral derivatives in the surface layer; but in the process of carbonization from pitch medium fullerenes are formed during crystallization of the latter and crystallization centers are of fullerene type. Based on theoretical data and dataof spectral and chromatographic analysis, optimal conditions of metal fullerene layer formation in barium carbonate and petroleum pitch mediums were determined. Low cohesion of layer, modified in barium carbonate medium, with metal basis was discovered. That was caused by limited carbon diffusion in the volume of α-Fe. According to the detected mechanism of fullerenes formation on steel surface in gaseous medium, fullerenes are formed on catalytic centers – ferrum atoms, forming thin metal

Application of liquid metals for the extraction of solid metals

International Nuclear Information System (INIS)

Borgstedt, H.U.

1996-01-01

Liquid metals dissolve several solid metals in considerable amounts at moderate temperatures. The dissolution processes may be based upon simple physical solubility, formation of intermetallic phases. Even chemical reactions are often observed in which non-metallic elements might be involved. Thus, the capacity to dissolve metals and chemical properties of the liquid metals play a role in these processes. Besides the solubility also chemical properties and thermochemical data are of importance. The dissolution of metals in liquid metals can be applied to separate the solutes from other metals or non-metallic phases. Relatively noble metals can be chemically reduced by the liquid phases. Such solution processes can be applied in the extractive metallurgy, for instance to extract metals from metallic waste. The recycling of metals is of high economical and ecological importance. Examples of possible processes are discussed. (author)

Amorphous SiOx nanowires catalyzed by metallic Ge for optoelectronic applications

International Nuclear Information System (INIS)

Nie Tianxiao; Chen Zhigang; Wu Yueqin; Lin Jianhui; Zhang Jiuzhan; Fan Yongliang; Yang Xinju; Jiang Zuimin; Zou Jin

2011-01-01

Research highlights: → Metallic Ge has been demonstrated as an effective catalyst for the growth of SiO x nanowires on Si substrates. → Such a catalyst may avoid catalyst contamination caused by their unconsciousness left in the nanowires. → Two broad peaks centered at 410 nm and 570 nm were observed in photoluminescence spectrum, indicating that such SiO x nanowires have the potential applications in white light-emitting diodes, full-colour display, full-colour indicator and light sources. - Abstract: Amorphous SiO x nanowires, with diameters of ∼20 nm and lengths of tens of μm, were grown from self-organized GeSi quantum dots or GeSi alloy epilayers on Si substrates. The morphologies and yield of these amorphous nanowires depend strongly upon the synthesis temperature. Comparative experiments indicate that the present SiO x nanowires are induced by metallic Ge as catalysts via the solid liquid solid growth mechanism. Two broad peaks centered at 410 nm and 570 nm were observed in photoluminescence spectrum, indicating that such SiO x nanowires have the potential applications in white light-emitting diodes, full-colour display, full-colour indicator and light sources.

High-Pressure Thermodynamic Properties of f-electron Metals, Transition Metal Oxides, and Half-Metallic Magnets

International Nuclear Information System (INIS)

Richard T. Scalettar; Warren E. Pickett

2005-01-01

This project involves research into the thermodynamic properties of f-electron metals, transition metal oxides, and half-metallic magnets at high pressure. These materials are ones in which the changing importance of electron-electron interactions as the distance between atoms is varied can tune the system through phase transitions from localized to delocalized electrons, from screened to unscreened magnetic moments, and from normal metal to one in which only a single spin specie can conduct. Three main thrusts are being pursued: (1) Mott transitions in transition metal oxides, (2) magnetism in half-metallic compounds, and (3) large volume-collapse transitions in f-band metals

High-Pressure Thermodynamic Properties of f-electron Metals, Transition Metal Oxides, and Half-Metallic Magnets

Energy Technology Data Exchange (ETDEWEB)

Scalettar, Richard T.; Pickett, Warren E.

2004-07-01

This project involves research into the thermodynamic properties of f-electron metals, transition metal oxides, and half-metallic magnets at high pressure. These materials are ones in which the changing importance of electron-electron interactions as the distance between atoms is varied can tune the system through phase transitions from localized to delocalized electrons, from screened to unscreened magnetic moments, and from normal metal to one in which only a single spin specie can conduct. Three main thrusts are being pursued: (1) Mott transitions in transition metal oxides, (2) magnetism in half-metallic compounds, and (3) large volume-collapse transitions in f-band metals.

High-Pressure Thermodynamic Properties of f-electron Metals, Transition Metal Oxides, and Half-Metallic Magnets

Energy Technology Data Exchange (ETDEWEB)

Richard T. Scalettar; Warren E. Pickett

2005-08-02

This project involves research into the thermodynamic properties of f-electron metals, transition metal oxides, and half-metallic magnets at high pressure. These materials are ones in which the changing importance of electron-electron interactions as the distance between atoms is varied can tune the system through phase transitions from localized to delocalized electrons, from screened to unscreened magnetic moments, and from normal metal to one in which only a single spin specie can conduct. Three main thrusts are being pursued: (i) Mott transitions in transition metal oxides, (ii) magnetism in half-metallic compounds, and (iii) large volume-collapse transitions in f-band metals.

Annual report 1992 of the Tandem Accelerator Center, University of Tsukuba

International Nuclear Information System (INIS)

1993-10-01

This annual report includes the research activities and the technical developments carried out at the Tandem Accelerator Center in University of Tsukuba for the period from April 1992 to March 1993. New experimental investigations were made on (1) nuclear spectroscopy was initiated by a new γ ray spectrometer; (2) polarization phenomena in nuclear reactions; (3) the application of energetic heavy ions to solid state physics; (4) the behavior of self interstitial atoms and its migration mechanism in Mo metal (5) the studies on electronic conduction of metal oxides and bronzes by NMR; (6) Moessbauer studies on Fe-Cr alloy and the RBS analysis of YBCO superconductor films; and (7) a new field was challenged on the micro cluster physics. Nuclear collective motion and the relativistic mean-field theory is also included in this report. (J.P.N.)

Heavy metals in reindeer and their forage plants

Directory of Open Access Journals (Sweden)

O. Eriksson

1990-09-01

Full Text Available An attempt was made to assess the level of heavy metal transfer from forage plants to reindeer (Rangifer tarandus L. in an area in northern Lapland affected from dust from an open pit copper mine. Botanical analyses of rumen contents from reindeer provided information about the main plant species in the diet. Representative plant material was collected from sample plots within an 8 km radius from the central part of the mine and from a reference area situated about 200 km upwind of the mining site. The following plant species were analysed: Bryoria jremontii, Br. juscescens, Cladina rangiferina, Equisetum fluviatile, Descbampsiaflexuosa, Eriopborum vaginatum, Salix glauca, Salix pbylicifolia, Betula nana, and Vaccini-um myrtillus. The greatest difference between metal concentrations in the plants collected from dust contaminated area and from the reference area was found in lichens. Copper is the main metallic component of the ore and was found in higher concentrations in lichens coming from the area around the mine than in lichens from the reference area. Smaller differences were found in vascular plants. Dust particles, remaining on outer surfaces after snow smelt contributed to a limited extent to the metal contents. Species—specific accumulation of metals was observed in some plants. The uptake of lead and cadmium in some vascular plants was somewhat higher in the reference area compared with plants growing in the perifery of the mining center, probably due to the metal concentrations in the bedrock. Organ material (liver and kidney was collected from reindeer in both areas. No noticable effect on metal concentrations in the liver of the reindeer were found. Although the lead, cadmium and copper concentrations were higher in the organs collected from animals in the reference area than in those from the mining area, the levels were still below the concentrations regarded as harmful for the animals from toxicological point of view. The

Screening metal-organic frameworks for selective noble gas adsorption in air: effect of pore size and framework topology.

Science.gov (United States)

Parkes, Marie V; Staiger, Chad L; Perry, John J; Allendorf, Mark D; Greathouse, Jeffery A

2013-06-21

The adsorption of noble gases and nitrogen by sixteen metal-organic frameworks (MOFs) was investigated using grand canonical Monte Carlo simulation. The MOFs were chosen to represent a variety of net topologies, pore dimensions, and metal centers. Three commercially available MOFs (HKUST-1, AlMIL-53, and ZIF-8) and PCN-14 were also included for comparison. Experimental adsorption isotherms, obtained from volumetric and gravimetric methods, were used to compare krypton, argon, and nitrogen uptake with the simulation results. Simulated trends in gas adsorption and predicted selectivities among the commercially available MOFs are in good agreement with experiment. In the low pressure regime, the expected trend of increasing adsorption with increasing noble gas polarizabilty is seen. For each noble gas, low pressure adsorption correlates with several MOF properties, including free volume, topology, and metal center. Additionally, a strong correlation exists between the Henry's constant and the isosteric heat of adsorption for all gases and MOFs considered. Finally, we note that the simulated and experimental gas selectivities demonstrated by this small set of MOFs show improved performance compared to similar values reported for zeolites.

Efficient selective catalytic reduction of NO by novel carbon-doped metal catalysts made from electroplating sludge.

Science.gov (United States)

Zhang, Jia; Zhang, Jingyi; Xu, Yunfeng; Su, Huimin; Li, Xiaoman; Zhou, Ji Zhi; Qian, Guangren; Li, Li; Xu, Zhi Ping

2014-10-07

Electroplating sludges, once regarded as industrial wastes, are precious resources of various transition metals. This research has thus investigated the recycling of an electroplating sludge as a novel carbon-doped metal (Fe, Ni, Mg, Cu, and Zn) catalyst, which was different from a traditional carbon-supported metal catalyst, for effective NO selective catalytic reduction (SCR). This catalyst removed >99.7% NO at a temperature as low as 300 °C. It also removed NO steadily (>99%) with a maximum specific accumulative reduced amount (MSARA) of 3.4 mmol/g. Gas species analyses showed that NO removal was accompanied by evolving N2 and CO2. Moreover, in a wide temperature window, the sludge catalyst showed a higher CO2 selectivity (>99%) than an activated carbon-supported metal catalyst. Structure characterizations revealed that carbon-doped metal was transformed to metal oxide in the sludge catalyst after the catalytic test, with most carbon (2.33 wt %) being consumed. These observations suggest that NO removal over the sludge catalyst is a typical SCR where metals/metal oxides act as the catalytic center and carbon as the reducing reagent. Therefore, our report probably provides an opportunity for high value-added utilizations of heavy-metal wastes in mitigating atmospheric pollutions.

Insights on activation enthalpy for non-Schmid slip in body-centered cubic metals

International Nuclear Information System (INIS)

Hale, Lucas M.; Lim, Hojun; Zimmerman, Jonathan A.; Battaile, Corbett C.; Weinberger, Christopher R.

2015-01-01

We use insights gained from atomistic simulation to develop an activation enthalpy model for dislocation slip in body-centered cubic iron. Using a classical potential that predicts dislocation core stabilities consistent with ab initio predictions, we quantify the non-Schmid stress-dependent effects of slip. The kink-pair activation enthalpy is evaluated and a model is identified as a function of the general stress state. Our model enlarges the applicability of the classic Kocks activation enthalpy model to materials with non-Schmid behavior

[Correlation of Persistent Free Radicals, PCDD/Fs and Metals in Waste Incineration Fly Ash].

Science.gov (United States)

Wang, Tian-jiao; Chen, Tong; Zhan, Ming-xiu; Guo, Ying; Li, Xiao-dong

2016-03-15

Environmentally persistent free radicals (EPFRs) are relatively highly stable and found in the formation of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs). Recent studies have concentrated on model dioxin formation reactions and there are few studies on actual waste incineration fly ash. In order to study EPFRs and the correlation with dioxins and heavy metals in waste incineration fly ash, the spins of EPFRs, concentration of PCDD/Fs and metals in samples from 6 different waste incinerators were detected. The medical waste incineration fly ash from Tianjin, municipal solid waste incineration fly ash from Jiangxi Province, black carbon and slag from municipal solid waste incinerator in Lanxi, Zhejiang Province, all contained EPFRs. Above all the signal in Tianjin sample was the strongest. Hydroxyl radicals, carbon-center radicals and semiquinone radicals were detected. Compared with other samples, Jiangxi fly ash had the highest toxic equivalent quantity (TEQ) of dioxins, up to 7.229 4 ng · g⁻¹. However, the dioxin concentration in the Tianjin sample containing the strongest EPFR signals was only 0.092 8 ng · g⁻¹. There was perhaps little direct numeric link between EPFRs and PCDD/Fs. But the spins of EPFRs in samples presented an increasing trend as the metal contents increased, especially with Al, Fe, Zn. The signal strength of radicals was purposed to be related to the metal contents. The concentration of Zn (0.813 7% ) in the Tianjin sample was the highest and this sample contained much more spins of oxygen-center radicals. We could presume the metal Zn had a greater effect on the formation of EPFRs, and was easier to induce the formation of radicals with a longer half-life period.

Iowa Water Center | Iowa Water Center

Science.gov (United States)

Home Iowa State University Extension Iowa Water Center Submitted by mollyd on April 24, 2012 - 09 :42 Advancing the state of water knowledge and management The Iowa Water Center is a part of a nationwide network of university-based water centers created to encourage interdisciplinary water research

Center of thermal-physical data for nuclear power plants

International Nuclear Information System (INIS)

Bobkov, V.P.; Blokhin, A.I.; Ivashkevich, A.A.; Katan, I.B.; Peskov, O.L.; Pan'kov, V.M.; Savanin, N.K.; Sal'nikova, O.V.; Khrushcheva, E.N.; Kirova, T.S.

1982-01-01

The specific features of a specialized Center of thermal-physical data (CTD) are considered. The center has been created for data acquisition, storage and analysis and working out recommendations on the following NPP thermal physics sections: hydrodynamics of channel flows (monophase laminar and turbulent, and two-phase flows, hydrodynamic vibrations) heat exchange in NPP elements, thermohydraulic calculations of nuclear reactor cores, heat exchangers, steam generators and NPP cooling system elements, coolant properties (water and steam, liquid metals and gases). On the CTD data base an automated system ASKhOD, oriented to EC computer, is created. The ASKhoD software ensures data allocation on magnetic tapes or other carriers, automated renewal and data relocation, data search in compliance with a specified set of signs, data processing for the purpose of their estimation or obtaining optimized model constants. Different publications in home and foreign magazines, conference, seminar materials, organization preprints serve as the data sources used for the formation of the ASKhOD data base

Center of thermal-physical data for nuclear power plants

Energy Technology Data Exchange (ETDEWEB)

Bobkov, V P; Blokhin, A I; Ivashkevich, A A; Katan, I B; Peskov, O L; Pan' kov, V M; Savanin, N K; Sal' nikova, O V; Khrushcheva, E N; Kirova, T S

1982-09-01

The specific features of a specialized Center of thermal-physical data (CTD) are considered. The center has been created for data acquisition, storage and analysis and working out recommendations on the following NPP thermal physics sections: hydrodynamics of channel flows (monophase laminar and turbulent, and two-phase flows, hydrodynamic vibrations) heat exchange in NPP elements, thermohydraulic calculations of nuclear reactor cores, heat exchangers, steam generators and NPP cooling system elements, coolant properties (water and steam, liquid metals and gases). On the CTD data base an automated system ASKhOD, oriented to EC computer, is created. The ASKhoD software ensures data allocation on magnetic tapes or other carriers, automated renewal and data relocation, data search in compliance with a specified set of signs, data processing for the purpose of their estimation or obtaining optimized model constants. Different publications in home and foreign magazines, conference, seminar materials, organization preprints serve as the data sources used for the formation of the ASKhOD data base.

User-Centered Design through Learner-Centered Instruction

Science.gov (United States)

Altay, Burçak

2014-01-01

This article initially demonstrates the parallels between the learner-centered approach in education and the user-centered approach in design disciplines. Afterward, a course on human factors that applies learner-centered methods to teach user-centered design is introduced. The focus is on three tasks to identify the application of theoretical and…

Feed Materials Production Center Waste Management Plan

International Nuclear Information System (INIS)

Watts, R.E.; Allen, T.; Castle, S.A.; Hopper, J.P.; Oelrich, R.L.

1986-01-01

In the process of producing uranium metal products used in Department of Energy (DOE) defense programs at other DOE facilities, various types of wastes are generated at the Feed Materials Production Center (FMPC). Process wastes, both generated and stored, are discussed in the Waste Management Plan and include low-level radioactive waste (LLW), mixed hazardous/radioactive waste, and sanitary/industrial waste. Scrap metal waste and wastes requiring special remediation are also addressed in the Plan. The Waste Management Plan identifies the comprehensive programs developed to address safe storage and disposition of all wastes from past, present, and future operations at the FMPC. Waste streams discussed in this Plan are representative of the waste generated and waste types that concern worker and public health and safety. Budgets and schedules for implementation of waste disposition are also addressed. The waste streams receiving the largest amount of funding include LLW approved for shipment by DOE/ORO to the Nevada Test Site (NTS) (MgF 2 , slag leach filter cake, and neutralized raffinate); remedial action wastes (waste pits, K-65 silo waste); thorium; scrap metal (contaminated and noncontaminated ferrous and copper scrap); construction rubble and soil generated from decontamination and decommissioning of outdated facilities; and low-level wastes that will be handled through the Low-Level Waste Processing and Shipping System (LLWPSS). Waste Management milestones are also provided. The Waste Management Plan is divided into eight major sections: Introduction; Site Waste and Waste Generating Process; Strategy; Projects and Operations; Waste Stream Budgets; Milestones; Quality Assurance for Waste Management; and Environmental Monitoring Program

MSU-Northern Bio-Energy Center of Excellence

Energy Technology Data Exchange (ETDEWEB)

Kegel, Greg [Montana State Univ. Northern, Havre, MT (United States); Windy Boy, Jessica [Montana State Univ. Northern, Havre, MT (United States). Bio-Energy Center of Excellence; Maglinao, Randy Latayan [Montana State Univ. Northern, Havre, MT (United States). Bio-Energy Center of Excellence; Abedin, Md. Joynal [Montana State Univ. Northern, Havre, MT (United States). Bio-Energy Center of Excellence

2017-03-02

The goal of this project was to establish the Bio-Energy Center (the Center) of Montana State University Northern (MSUN) as a Regional Research Center of Excellence in research, product development, and commercialization of non-food biomass for the bio-energy industry. A three-step approach, namely, (1) enhance the Center’s research and testing capabilities, (2) develop advanced biofuels from locally grown agricultural crops, and (3) educate the community through outreach programs for public understanding and acceptance of new technologies was identified to achieve this goal. The research activities aimed to address the obstacles concerning the production of biofuels and other bio-based fuel additives considering feedstock quality, conversion process, economic viability, and public awareness. First and foremost in enhancing the capabilities of the Center is the improvement of its laboratories and other physical facilities for investigating new biomass conversion technologies and the development of its manpower complement with expertise in chemistry, engineering, biology, and energy. MSUN renovated its Auto Diagnostics building and updated its mechanical and electrical systems necessary to house the state-of-the-art 525kW (704 hp) A/C Dynamometer. The newly renovated building was designated as the Advanced Fuels Building. Two laboratories, namely Biomass Conversion lab and Wet Chemistry lab were also added to the Center’s facilities. The Biomass Conversion lab was for research on the production of advanced biofuels including bio-jet fuel and bio-based fuel additives while the Wet Chemistry lab was used to conduct catalyst research. Necessary equipment and machines, such as gas chromatograph-mass spectrometry, were purchased and installed to help in research and testing. With the enhanced capabilities of the Center, research and testing activities were very much facilitated and more precise. New biofuels derived from Camelina sativa (camelina), a locally

Recombination luminescence from H centers and conversion of H centers into I centers in alkali iodides

International Nuclear Information System (INIS)

Berzina, B.J.

1981-01-01

The study is aimed at the search for H-plus-electron centers of luminescence and the investigation of the conversion of H- into I centers by the luminescence of H-plus-electron centers in alkali iodide crystals. KI, RbI and NaI crystals were studied at 12 K. H and F centers were created by irradiation with ultraviolet light corresponding to the absorption band of anion excitons. Then the excitation of electron centers by red light irradiation was followed. The spectra of stimulated recombination luminescence were studied. The luminescence of H-plus- electron centers had been observed and the conclusion was made that this center was formed on immobile H centers. In case of stable H centers the optically stimulated conversion of H centers into I centers occurs. The assumption is advanced on the spontaneous annihilation of near placed unstable F, H centers which leads to the creation of H-plus-electron luminescence centers and to the spontaneous H-I-centers conversion [ru

TDPAC studies on metal-complex ferrimagnets

Energy Technology Data Exchange (ETDEWEB)

Ohkubo, Yoshitaka [Kyoto Univ., Kumatori, Osaka (Japan). Research Reactor Inst.; Abe, Shizuko; Okada, Takuya [and others

1997-03-01

TDPAC spectra of {sup 117}In (left-arrow {sup 117}Cd) and {sup 111}Cd (left-arrow {sup 111m}Cd) in the mixed metal complex N(C{sub 4}H{sub 9}){sub 4}(M(II)Fe(III)(C{sub 2}O{sub 4}){sub 3})(M=Fe,Ni), the related substraces and LiNbO{sub 3} have been studied. In this paper, pure potassium iron (III) oxalate was prepared and mixed metal complexes were synthesized by changing amount of reagents and the order added, then observed by TDPAC. 2 mol%Cd was dispersed throughout potassium iron oxalate and potassium nickel oxalate, formulating M(II){sub 0.98}Cd(II){sub 0.02}C{sub 2}O{sub 4}{center_dot}2H{sub 2}O (M=Fe, Ni) with the same crystal structure. The formation reaction of mixed metal complex-Fe(II) was faster than that of iron oxalate. Its mixed metal complex-Ni(II) was slower than that of iron oxalate. The rate of quadrupole oscillation was obtained by {omega}{sub Q}({sup 117}In)=67.3 Mrad/s and {omega}{sub Q}({sup 111}Cd)=29.7 Mrad/s of which values were determined by TDPAC spectra of {sup 117}In and {sup 111}Cd in LiNbO{sub 3} at 4K. The value showed pure ion bond of oxygen coordinated with {sup 117}In and {sup 111}Cd. 0.08 {eta} was determined by TDPAC spectrum of {sup 111}Cd(left-arrow {sup 111m}Cd). The rate of {omega}{sub Q} of mixed metal oxalate complex was larger than 2.3, indicating 5s and 5p orbital electron took part in bond of oxygen of oxalic acid or approaching oxygen ion to In nucleus depend on the structual relaxation in decaying of {sup 117}In(left-arrow {sup 117}Cd). (S.Y.)

Fatigue Crack Growth Behavior of Gas Metal Arc Welded AISI 409 Grade Ferritic Stainless Steel Joints

Science.gov (United States)

Lakshminarayanan, A. K.; Shanmugam, K.; Balasubramanian, V.

2009-10-01

The effect of filler metals such as austenitic stainless steel, ferritic stainless steel, and duplex stainless steel on fatigue crack growth behavior of the gas metal arc welded ferritic stainless steel joints was investigated. Rolled plates of 4 mm thickness were used as the base material for preparing single ‘V’ butt welded joints. Center cracked tensile specimens were prepared to evaluate fatigue crack growth behavior. Servo hydraulic controlled fatigue testing machine with a capacity of 100 kN was used to evaluate the fatigue crack growth behavior of the welded joints. From this investigation, it was found that the joints fabricated by duplex stainless steel filler metal showed superior fatigue crack growth resistance compared to the joints fabricated by austenitic and ferritic stainless steel filler metals. Higher yield strength and relatively higher toughness may be the reasons for superior fatigue performance of the joints fabricated by duplex stainless steel filler metal.

d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils

DEFF Research Database (Denmark)

Ruckthong, Leela; Peacock, Anna F.A.; Pascoe, Cherilyn E.

2017-01-01

Although metal ion binding to naturally occurring l-amino acid proteins is well documented, understanding the impact of the opposite chirality (d-)amino acids on the structure and stereochemistry of metals is in its infancy. We examine the effect of a d-configuration cysteine within a designed l......-amino acid three-stranded coiled coil in order to enforce a precise coordination number on a metal center. The d chirality does not alter the native fold, but the side-chain re-orientation modifies the sterics of the metal binding pocket. l-Cys side chains within the coiled-coil structure have previously...... by comparison of the structure of ZnIICl(CSL16DC)3 2- to the published structure of ZnII(H2O)(GRAND-CSL12AL16LC)3 -. Moreover, spectroscopic analysis indicates that the CdII geometry observed by using l-Cys ligands (a mixture of three- and four-coordinate CdII) is altered to a single four-coordinate species...

WITNESSING GAS MIXING IN THE METAL DISTRIBUTION OF THE HICKSON COMPACT GROUP HCG 31

International Nuclear Information System (INIS)

Torres-Flores, S.; Alfaro-Cuello, M.; De Oliveira, C. Mendes; Amram, P.; Carrasco, E. R.; De Mello, D. F.

2015-01-01

We present for the first time direct evidence that in a merger of disk galaxies, the pre-existing central metallicities will mix as a result of gas being transported in the merger interface region along the line that joins the two coalescing nuclei. This is shown using detailed two-dimensional kinematics as well as metallicity measurements for the nearby ongoing merger in the center of the compact group HCG 31. We focus on the emission line gas, which is extensive in the system. The two coalescing cores display similar oxygen abundances. While in between the two nuclei, the metallicity changes smoothly from one nucleus to the other indicating a mix of metals in this region, which is confirmed by the high-resolution Hα kinematics (R = 45,900). This nearby system is especially important because it involves the merging of two fairly low-mass and clumpy galaxies (LMC-like galaxies), making it an important system for comparison with high-redshift galaxies

WITNESSING GAS MIXING IN THE METAL DISTRIBUTION OF THE HICKSON COMPACT GROUP HCG 31

Energy Technology Data Exchange (ETDEWEB)

Torres-Flores, S.; Alfaro-Cuello, M. [Departamento de Física, Universidad de La Serena, Av. Cisternas 1200, La Serena (Chile); De Oliveira, C. Mendes [Instituto de Astronomia, Geofísica e Ciências Atmosféricas da Universidade de São Paulo, Cidade Universitária, CEP:05508-900, São Paulo, SP (Brazil); Amram, P. [Aix Marseille Université, CNRS, LAM (Laboratoire d' Astrophysique de Marseille) UMR 7326, F-13388, Marseille (France); Carrasco, E. R. [Gemini Observatory/AURA, Southern Operations Center, Casilla 603, La Serena (Chile); De Mello, D. F., E-mail: storres@dfuls.cl [Catholic University of America, Washington, DC 20064 (United States)

2015-01-01

We present for the first time direct evidence that in a merger of disk galaxies, the pre-existing central metallicities will mix as a result of gas being transported in the merger interface region along the line that joins the two coalescing nuclei. This is shown using detailed two-dimensional kinematics as well as metallicity measurements for the nearby ongoing merger in the center of the compact group HCG 31. We focus on the emission line gas, which is extensive in the system. The two coalescing cores display similar oxygen abundances. While in between the two nuclei, the metallicity changes smoothly from one nucleus to the other indicating a mix of metals in this region, which is confirmed by the high-resolution Hα kinematics (R = 45,900). This nearby system is especially important because it involves the merging of two fairly low-mass and clumpy galaxies (LMC-like galaxies), making it an important system for comparison with high-redshift galaxies.

Transport properties of metal-metal and metal-insulator heterostructures

Energy Technology Data Exchange (ETDEWEB)

Fadlallah Elabd, Mohamed Mostafa

2010-06-09

In this study we present results of electronic structure and transport calculations for metallic and metal-insulator interfaces, based on density functional theory and the non-equilibrium Green's function method. Starting from the electronic structure of bulk Al, Cu, Ag, and Au interfaces, we study the effects of different kinds of interface roughness on the transmission coefficient (T(E)) and the I-V characteristic. In particular, we compare prototypical interface distortions, including vacancies, metallic impurities, non-metallic impurities, interlayer, and interface alloy. We find that vacancy sites have a huge effect on transmission coefficient. The transmission coefficient of non-metallic impurity systems has the same behaviour as the transmission coefficient of vacancy system, since these systems do not contribute to the electronic states at the Fermi energy. We have also studied the transport properties of Au-MgO-Au tunnel junctions. In particular, we have investigated the influence of the thickness of the MgO interlayer, the interface termination, the interface spacing, and O vacancies. Additional interface states appear in the O-terminated configuration due to the formation of Au-O bonds. An increasing interface spacing suppresses the Au-O bonding. Enhancement of T(E) depends on the position and density of the vacancies (the number of vacancies per unit cell). (orig.)

In Silico Switch from Second- to First-Row Transition Metals in Olefin Metathesis: From Ru to Fe and from Rh to Co

Directory of Open Access Journals (Sweden)

Jesús Antonio Luque-Urrutia

2017-12-01

Full Text Available Density functional theory (DFT calculations have been used to investigate the behavior of different transition metals from Groups 8 (Fe and Ru and 9 (Co and Rh in an already well-known catalytic mechanism, which is based on an Ru(SIMes(PPh3Cl2=CH(Ph complex. As expected, Ru has proven to perform better than their Fe, Co, and Rh counterparts. Even though the topographic steric maps analysis shows no difference in sterical hindrance for any of the metal centers, geometrically, the Fe-based species show a high rigidity with shorter and stronger bonds confirmed by Mayer Bond Orders. The systems bearing Co as a metallic center might present a reactivity that is, surprisingly, too high according to conceptual DFT, which would consequently be a drawback for the formation of the fundamental species of the reaction pathway: the metallacycle intermediate.

Charge transfers in complex transition metal alloys (Ti2Fe)

International Nuclear Information System (INIS)

Abramovici, G.

1998-01-01

We introduce a new non-orthogonal tight-binding model, for complex alloys, in which electronic structure is characterized by charge transfers. We give the analytic calculation of a charge transfer, in which overlapping two-center terms are rigorously taken into account. Then, we apply numerically this result to an approximant phase of a quasicrystal of Ti 2 Fe alloy. This model is more particularly adapted to transition metals, and gives realistic densities of states. (orig.)

Stone extraction balloon-guided repeat self-expanding metal stent placement

Institute of Scientific and Technical Information of China (English)

Hyung; Hun; Kim; Jeong; Seop; Moon; Soo; Hyung; Ryu; Jung; Hwan; Lee; You; Sun; Kim

2010-01-01

Self-expanding metal stent (SEMS) placement offers safe and effective palliation in patients with upper gastrointestinal obstruction due to a malignancy. Well described complications of SEMS placement include tumor growth, obstruction, and stent migration. SEMS occlusions are treated by SEMS redeployment, argon plasma coagulation application, balloon dilation, and surgical bypass. At our center, we usually place the second SEMS into the first SEMS if there is complete occlusion by the tumor. We discovered a...

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

Directory of Open Access Journals (Sweden)

Y. Yang

2016-12-01

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

Surface core-level shifts for simple metals

DEFF Research Database (Denmark)

Aldén, Magnus; Skriver, Hans Lomholt; Johansson, Börje

1994-01-01

screening, whereby a SCLS becomes equivalent to the surface segregation energy of a core-ionized atom, a quantity we obtain by separate bulk and surface impurity calculations. The results are in good agreement with experiment in most of those cases where the data originates from single-crystal measurements....... We discuss the surface shifts of the electrostatic potentials and the band centers in order to trace the microscopic origin of the SCLS in the simple metals and find that the anomalous subsurface core-level shifts in beryllium are caused by charge dipoles, which persist several layers into the bulk...

Brazing of Cu with Pd-based metallic glass filler

Energy Technology Data Exchange (ETDEWEB)

Terajima, Takeshi [Joining and Welding Research Institute, Osaka University, 11-1 Mihogaoka, Ibaraki, Osaka 567-0047 (Japan)], E-mail: terajima@jwri.osaka-u.ac.jp; Nakata, Kazuhiro [Joining and Welding Research Institute, Osaka University, 11-1 Mihogaoka, Ibaraki, Osaka 567-0047 (Japan); Matsumoto, Yuji [Materials and Structures Laboratory, Tokyo Institute of Technology (Japan); Zhang, Wei; Kimura, Hisamichi; Inoue, Akihisa [Institute for Materials Research, Tohoku University (Japan)

2008-02-25

Metallic glass has several unique properties, including high mechanical strength, small solidification shrinkage, small elastic modulus and supercooling state, all of which are well suited as a residual stress buffer for metal and ceramic joining. In the present preliminary study, we demonstrated brazing of Cu rods with Pd{sub 40}Cu{sub 30}Ni{sub 10}P{sub 20} metallic glass filler. The brazing was carried out at 873 K for 1 min in a vacuum atmosphere (1 x 10{sup -3} Pa), and then the specimens were quenched at the rate of 30 K/s by blowing He. The metallic glass brazing of Cu using Pd{sub 40}Cu{sub 30}Ni{sub 10}P{sub 20} filler was successful, with the exception that several voids remained in the filler. According to micro-focused X-ray diffraction, no diffraction patterns were observed at both the center of the Pd{sub 40}Cu{sub 30}Ni{sub 10}P{sub 20} filler and the Cu/Pd{sub 40}Cu{sub 30}Ni{sub 10}P{sub 20} interface. The result showed that the Cu specimens were joined with Pd{sub 40}Cu{sub 30}Ni{sub 10}P{sub 20} filler in the glassy state. The tensile fracture strength of the brazed specimens ranged from 20 to 250 MPa. The crack extension from the voids in the Pd{sub 40}Cu{sub 30}Ni{sub 10}P{sub 20} filler may have caused the results to be uneven and very low compared to the strength of Pd-based bulk metallic glass.

Alkali metals and group IIA metals

International Nuclear Information System (INIS)

Fenton, D.E.

1987-01-01

This chapter on the coordination complexes of the alkali metals of group IIA starts with a historical perspective of their chemistry, from simple monodentate ligands, metal-β-diketonates to the macrocyclic polyethers which act as ligands to the alkali and akaline earth metals. Other macrocyclic ligands include quarterenes, calixarenes, porphyrins, phthalocyanines and chlorophylls. A section on the naturally occurring ionophores and carboxylic ionophores is included. (UK)

PNNL Development and Analysis of Material-Based Hydrogen Storage Systems for the Hydrogen Storage Engineering Center of Excellence

Energy Technology Data Exchange (ETDEWEB)

Brooks, Kriston P. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Alvine, Kyle J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Johnson, Kenneth I. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Klymyshyn, Nicholas A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Pires, Richard P. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Ronnebro, Ewa [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Simmons, Kevin L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Weimar, Mark R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Westman, Matthew P. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2016-02-29

The Hydrogen Storage Engineering Center of Excellence is a team of universities, industrial corporations, and federal laboratories with the mandate to develop lower-pressure, materials-based, hydrogen storage systems for hydrogen fuel cell light-duty vehicles. Although not engaged in the development of new hydrogen storage materials themselves, it is an engineering center that addresses engineering challenges associated with the currently available hydrogen storage materials. Three material-based approaches to hydrogen storage are being researched: 1) chemical hydrogen storage materials 2) cryo-adsorbents, and 3) metal hydrides. As a member of this Center, Pacific Northwest National Laboratory (PNNL) has been involved in the design and evaluation of systems developed with each of these three hydrogen storage materials. This report is a compilation of the work performed by PNNL for this Center.

Oxidative addition of C--H bonds in organic molecules to transition metal centers

International Nuclear Information System (INIS)

Bergman, R.G.

1989-04-01

Alkanes are among the most chemically inert organic molecules. They are reactive toward a limited range of reagents, such as highly energetic free radicals and strongly electrophilic and oxidizing species. This low reactivity is a consequence of the C--H bond energies in most saturated hydrocarbons. These values range from 90 to 98 kcal/mole for primary and secondary C--H bonds; in methane, the main constituent of natural gas, the C--H bond energy is 104 kcal/mole. This makes methane one of the most common but least reactive organic molecules in nature. This report briefly discusses the search for metal complexes capable of undergoing the C--H oxidative addition process allowing alkane chemistry to be more selective than that available using free radical reagents. 14 refs

Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces

DEFF Research Database (Denmark)

Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Rossmeisl, Jan

2012-01-01

In this work, we extend the activity volcano for oxygen reduction from the face-centered cubic (fcc) metal (111) facet to the (100) facet. Using density functional theory calculations, we show that the recent findings of constant scaling between OOH* and OH* holds on the fcc metal (100) facet......, as well. Using this fact, we show the existence of a universal activity volcano to describe oxygen reduction electrocatalysis with a minimum overpotential, ηmin = 0.37 ± 0.1 V. Specifically, we find that the (100) facet of Pt is found to bind oxygen intermediates too strongly and is not active for oxygen...... reduction reaction (ORR). In contrast, Au(100) is predicted to be more active than Au(111) and comparable in activity to Pt alloys. Using this activity volcano, we further predict that Au alloys that bind OH more strongly could display improved ORR activity on the (100) facet. We carry out a computational...

Performance of metallic fuels in liquid-metal fast reactors

International Nuclear Information System (INIS)

Seidel, B.R.; Walters, L.C.; Kittel, J.H.

1984-01-01

Interest in metallic fuels for liquid-metal fast reactors has come full circle. Metallic fuels are once again a viable alternative for fast reactors because reactor outlet temperature of interest to industry are well within the range where metallic fuels have demonstrated high burnup and reliable performance. In addition, metallic fuel is very tolerant of off-normal events of its high thermal conductivity and fuel behavior. Futhermore, metallic fuels lend themselves to compact and simplified reprocessing and refabrication technologies, a key feature in a new concept for deployment of fast reactors called the Integral Fast Reactor (IFR). The IFR concept is a metallic-fueled pool reactor(s) coupled to an integral-remote reprocessing and fabrication facility. The purpose of this paper is to review recent metallic fuel performance, much of which was tested and proven during the twenty years of EBR-II operation

Apoprotein Structure and Metal Binding Characterization of a de Novo Designed Peptide, α3DIV, that Sequesters Toxic Heavy Metals.

Science.gov (United States)

Plegaria, Jefferson S; Dzul, Stephen P; Zuiderweg, Erik R P; Stemmler, Timothy L; Pecoraro, Vincent L

2015-05-12

De novo protein design is a biologically relevant approach that provides a novel process in elucidating protein folding and modeling the metal centers of metalloproteins in a completely unrelated or simplified fold. An integral step in de novo protein design is the establishment of a well-folded scaffold with one conformation, which is a fundamental characteristic of many native proteins. Here, we report the NMR solution structure of apo α3DIV at pH 7.0, a de novo designed three-helix bundle peptide containing a triscysteine motif (Cys18, Cys28, and Cys67) that binds toxic heavy metals. The structure comprises 1067 NOE restraints derived from multinuclear multidimensional NOESY, as well as 138 dihedral angles (ψ, φ, and χ1). The backbone and heavy atoms of the 20 lowest energy structures have a root mean square deviation from the mean structure of 0.79 (0.16) Å and 1.31 (0.15) Å, respectively. When compared to the parent structure α3D, the substitution of Leu residues to Cys enhanced the α-helical content of α3DIV while maintaining the same overall topology and fold. In addition, solution studies on the metalated species illustrated metal-induced stability. An increase in the melting temperatures was observed for Hg(II), Pb(II), or Cd(II) bound α3DIV by 18-24 °C compared to its apo counterpart. Further, the extended X-ray absorption fine structure analysis on Hg(II)-α3DIV produced an average Hg(II)-S bond length at 2.36 Å, indicating a trigonal T-shaped coordination environment. Overall, the structure of apo α3DIV reveals an asymmetric distorted triscysteine metal binding site, which offers a model for native metalloregulatory proteins with thiol-rich ligands that function in regulating toxic heavy metals, such as ArsR, CadC, MerR, and PbrR.

Controlled coupling of NV defect centers to plasmonic and photonic nanostructures

Energy Technology Data Exchange (ETDEWEB)

Barth, Michael, E-mail: michael.barth@physik.hu-berlin.d [Institute of Physics, Humboldt-Universitaet zu Berlin, Hausvogteiplatz 5-7, D-10117 Berlin (Germany); Schietinger, Stefan; Schroeder, Tim; Aichele, Thomas; Benson, Oliver [Institute of Physics, Humboldt-Universitaet zu Berlin, Hausvogteiplatz 5-7, D-10117 Berlin (Germany)

2010-09-15

Nitrogen-vacancy (NV) defect centers in diamond have recently emerged as promising candidates for a number of applications in the fields of quantum optics and quantum information, such as single photon generation and spin qubit operations. The performance of these defect centers can strongly be enhanced through coupling to plasmonic and photonic nanostructures, such as metal particles and optical microcavities. Here, we demonstrate the controlled assembly of such hybrid structures via manipulation with scanning near-field probes. In particular, we investigate the plasmonic enhancement of the single photon emission through coupling to gold nanospheres as well as the coupling of diamond nanocrystals to the optical modes of microsphere resonators and photonic crystal cavities. These systems represent prototypes of fundamental nanophotonic/plasmonic elements and provide control on the generation and coherent transfer of photons on the level of a single quantum emitter.

Oxidized graphene as an electrode material for rechargeable metal-ion batteries – a DFT point of view

International Nuclear Information System (INIS)

Dobrota, Ana S.; Pašti, Igor A.; Skorodumova, Natalia V.

2015-01-01

Graphical abstract: - Abstract: In line with a growing interest in the use of graphene-based materials for energy storage applications and active research in the field of rechargeable metal-ion batteries we have performed a DFT based computational study of alkali metal atoms (Li, Na and K) interaction with an oxidized graphene. The presence of oxygen surface groups (epoxy and hydroxyl) alters the chemisorption properties of graphene. In particular, we observe that the epoxy groups are redox active and enhance the alkali metal adsorption energies by a factor of 2 or more. When an alkali metal atom interacts with hydroxyl-graphene the formation of metal-hydroxide is observed. In addition to a potential boost of metal ion storage capability, oxygen functional groups also prevent the precipitation of the metal phase. By simulating lithiation/de-lithiation process on epoxy-graphenes, it was concluded that the oxidized graphene can undergo structural changes during battery operation. Our results suggest that the content and the type of oxygen surface groups should be carefully tailored to maximize the performance of metal-ion batteries. This is mainly related to the control of the oxidation level in order to provide enough active centers for metal ion storage while preserving sufficient electrical conductivity

Metal compounds in zeolites as active components of chemisorption and catalysis. Quantum chemical approach

International Nuclear Information System (INIS)

Zhidomirov, G.M.

1996-01-01

A short review of possible catalitic active sites associated with various types of metal species in zoolite is presented. The structural and electronic peculiarity of aluminum ions in zeolite lattice and their distribution in the lattice are discussed on the basis of quantum chemical calculations in connection with the formation of Broensted activity of zeolites. Various molecular models of Lewis Acid Sites associated the extra-lattice oxide-hydroxide aluminum species have been investigated by means of density functional model cluster calculations using CO molecule as a probe. Probable ways of formation of the selective oxidation center in FeZSM-5 by decomposition of dinitrogen monoxide have been studied by ab-initio quantum chemical calculations. The immediate oxidizing site is reasonably represented by the binuclear iron-hydroxide cluster with peroxo-like fragment located between iron atoms. Various probable intermediates of the selective oxidation center formation resulted from interaction of a hydroperoxide molecule with a lattice titanium ion in titanium silicalite have been investigated by quantum chemical calculations. It was concluded that this reaction requires essential structural reconstruction in the vicinity of the titanium ion. Probability of this structural reconstruction is discussed. Possible reasons of an electron-deficient and electron-enriched state of metal particles entrapped in zoolite cavities are discussed. Also, various probable molecular models of such modified metal particles in zeolite are considered

Studies of Metal-Metal Bonded Compounds in Catalysis

Energy Technology Data Exchange (ETDEWEB)

Berry, John F. [Univ. of Wisconsin, Madison, WI (United States)

2018-01-19

The overall goals of this research are (1) to define the fundamental coordination chemistry underlying successful catalytic transformations promoted by metal-metal bonded compounds, and (2) to explore new chemical transformations that occur at metal-metal bonded sites that could lead to the discovery of new catalytic processes. Transformations of interest include metal-promoted reactions of carbene, nitrene, or nitrido species to yield products with new C–C and C–N bonds, respectively. The most promising suite of transition metal catalysts for these transformations is the set of metal-metal bonded coordination compounds of Ru and Rh of the general formula M₂(ligand)₄, where M = Ru or Rh and ligand = a monoanionic, bridging ligand such as acetate. Development of new catalysts and improvement of catalytic conditions have been stymied by a general lack of knowledge about the nature of highly reactive intermediates in these reactions, the knowledge that is to be supplied by this work. Our three specific objectives for this year have been (A) to trap, isolate, and characterize new reactive intermediates of general relevance to catalysis, (B) to explore the electronic structure and reactivity of these unusual species, and how these two properties are interrelated, and (C) to use our obtained mechanistic knowledge to design new catalysts with a focus on Earth-abundant first-row transition metal compounds.

Resistance to sulfur poisoning of Ni-based alloy with coinage (IB) metals

International Nuclear Information System (INIS)

Xu, Xiaopei; Zhang, Yanxing; Yang, Zongxian

2015-01-01

Highlights: • The effects of IB metal dopants on the S poisoning features of Ni are analyzed. • IB metal dopants can modify the surface electronic structure of Ni. • IB metal dopants can increase the S tolerance of Ni at an optimized concentration. • Au is a preferred dopant to increase the resistance to sulfur poisoning of Ni. - Abstract: The poisoning effects of S atom on the (1 0 0), (1 1 0) and (1 1 1) metal surfaces of pure Ni and Ni-based alloy with IB (coinage) metals (Cu, Ag, Au) are systematically studied. The effects of IB metal dopants on the S poisoning features are analyzed combining the density functional theory (DFT) results with thermodynamics data using the ab initio atomistic thermodynamic method. It is found that introducing IB doping metals into Ni surface can shift the d-band center downward from the Fermi level and weaken the adsorption of S on the (1 0 0) and (1 1 0) surfaces, and the S tolerance ability increases in the order of Ni, Cu/Ni, Ag/Ni and Au/Ni. Nevertheless, on the (1 1 1) surface, the S tolerance ability increases in the order of Ag/Ni (or Cu/Ni), Ni, and Au/Ni. When we increase the coverage of the IB metal dopants, we found that not only Au, but Cu and Ag can increase its S tolerance. We therefore propose that alloying can increase its S tolerance and alloying with Au would be a better way to increase the resistance to sulfur poisoning of the Ni anode as compared with the pure Ni and the Ag- or, Cu-doped Ni materials.

Nuclear fuel cycle head-end enriched uranium purification and conversion into metal

International Nuclear Information System (INIS)

Bonini, A.; Cabrejas, J.; Lio, L. de; Dell'Occhio, L.; Devida, C.; Dupetit, G.; Falcon, M.; Gauna, A.; Gil, D.; Guzman, G.; Neuringer, P.; Pascale, A.; Stankevicius, A.

1998-01-01

The CNEA (Comision Nacional de Energia Atomica - Argentina) operated two facilities at the Ezeiza Atomic Center which supply purified enriched uranium employed in the production of nuclear fuels. At one of those facilities, the Triple Height Laboratory scraps from the production of MTR type fuel elements (mainly out of specification U 3 O 8 plates or powder) are purified to nuclear grade. The purification is accomplished by a solvent extraction process. The other facility, the Enriched Uranium Laboratory produces 90% enriched uranium metal to be used in Mo 99 production (originally the uranium was used for the manufacture of MTR fuel elements made of aluminium-uranium alloy). This laboratory also provided metallic uranium with a lower enrichment (20%) for a first uranium-silicon testing fuel element, and in the near future it is going to recommence 20% enriched uranium related activities in order to provide the metal for the silicon-based fuel elements production (according to the policy of enrichment reduction for MTR reactors). (author)

Intense generation of respirable metal nanoparticles from a low-power soldering unit

Energy Technology Data Exchange (ETDEWEB)

Gómez, Virginia [Department of Chemical Engineering, Nanoscience Institute of Aragon (INA), 50018 Zaragoza (Spain); Irusta, Silvia [Department of Chemical Engineering, Nanoscience Institute of Aragon (INA), 50018 Zaragoza (Spain); Networking Biomedical Research Center of Bioengineering, Biomaterials and Nanomedicine (CIBER-BBN), 50018 Zaragoza (Spain); Balas, Francisco [Networking Biomedical Research Center of Bioengineering, Biomaterials and Nanomedicine (CIBER-BBN), 50018 Zaragoza (Spain); Instituto de Carboquímica – Consejo Superior de Investigaciones Científicas (ICB-CSIC), 50018 Zaragoza (Spain); Santamaria, Jesus, E-mail: Jesus.Santamaria@unizar.es [Department of Chemical Engineering, Nanoscience Institute of Aragon (INA), 50018 Zaragoza (Spain); Networking Biomedical Research Center of Bioengineering, Biomaterials and Nanomedicine (CIBER-BBN), 50018 Zaragoza (Spain)

2013-07-15

Highlights: • Intense generation of nanoparticles in the breathing range from a flux-soldering unit is detected. • Coagulation in the aerosol phase leads to 200-nm respirable nanoparticles up to 30 min after operation. • Nanoparticle concentration in the working environment depends on the presence of ambient air. • Metal-containing nanoparticles are collected in TEM grids and filters in the hundreds of nanometer range. -- Abstract: Evidence of intense nanoparticle generation from a low power (45 W) flux soldering unit is presented. This is a familiar device often used in daily life, including home repairs and school electronic laboratories. We demonstrate that metal-containing nanoparticles may reach high concentrations (ca. 10{sup 6} particles/cm{sup 3}) within the breathing range of the operator, with initial size distributions centered at 35–60 nm The morphological and chemical analysis of nanoparticle agglomerates collected on TEM grids and filters confirms their multiparticle structure and the presence of metals.

Intense generation of respirable metal nanoparticles from a low-power soldering unit

International Nuclear Information System (INIS)

Gómez, Virginia; Irusta, Silvia; Balas, Francisco; Santamaria, Jesus

2013-01-01

Highlights: • Intense generation of nanoparticles in the breathing range from a flux-soldering unit is detected. • Coagulation in the aerosol phase leads to 200-nm respirable nanoparticles up to 30 min after operation. • Nanoparticle concentration in the working environment depends on the presence of ambient air. • Metal-containing nanoparticles are collected in TEM grids and filters in the hundreds of nanometer range. -- Abstract: Evidence of intense nanoparticle generation from a low power (45 W) flux soldering unit is presented. This is a familiar device often used in daily life, including home repairs and school electronic laboratories. We demonstrate that metal-containing nanoparticles may reach high concentrations (ca. 10 6 particles/cm 3 ) within the breathing range of the operator, with initial size distributions centered at 35–60 nm The morphological and chemical analysis of nanoparticle agglomerates collected on TEM grids and filters confirms their multiparticle structure and the presence of metals

New metals

International Nuclear Information System (INIS)

Bergqvist, U.

1983-12-01

The aim of this report is to estimate the exposure to various metals and metal compounds and discuss the available information of the possible toxic effects of these metals and compounds. In the first section, some metals are defined as those with either a large or a fast increasing exposure to living organisms. The available information on toxicity is discussed in the second section. In the third section interesting metals are defined as compounds having a large exposure and an apparent insufficient knowledge of their possible toxic effects. Comments on each of these metals are also to be found in the third section. (G.B.)

Preparation and properties of chitosan-metal complex: Some factors influencing the adsorption capacity for dyes in aqueous solution.

Science.gov (United States)

Rashid, Sadia; Shen, Chensi; Yang, Jing; Liu, Jianshe; Li, Jing

2018-04-01

Chitosan-metal complexes have been widely studied in wastewater treatment, but there are still various factors in complex preparation which are collectively responsible for improving the adsorption capacity need to be further studied. Thus, this study investigates the factors affecting the adsorption ability of chitosan-metal complex adsorbents, including various kinds of metal centers, different metal salts and crosslinking degree. The results show that the chitosan-Fe(III) complex prepared by sulfate salts exhibited the best adsorption efficiency (100%) for various dyes in very short time duration (10min), and its maximum adsorption capacity achieved 349.22mg/g. The anion of the metal salt which was used in preparation played an important role to enhance the adsorption ability of chitosan-metal complex. SO 4 2- ions not only had the effect of crosslinking through electrostatic interaction with amine group of chitosan polymer, but also could facilitate the chelation of metal ions with chitosan polymer during the synthesis process. Additionally, the pH sensitivity and the sensitivity of ionic environment for chitosan-metal complex were analyzed. We hope that these factors affecting the adsorption of the chitosan-metal complex can help not only in optimizing its use but also in designing new chitosan-metal based complexes. Copyright © 2017. Published by Elsevier B.V.

Best practices in energy management: Experience with IAC assessments in the metals fabrication industry

International Nuclear Information System (INIS)

Clark, W.J.; Birkmire, L.K.

1999-01-01

The Industrial Technology and Energy Management (ITEM) division of the University City Science Center played a managerial role in founding and establishing the Energy Analysis and Diagnostic Center (EADC) program, now known as the Industrial Assessment Center (IAC) program. ITEM is responsible for the field management of 15 IACs in the western US. This DOE funded program utilizes teams of engineering faculty and students to conduct assessments of small to medium-size plants to identify cost savings by conserving energy, minimizing waste, and improving productivity. These assessments are provided at no direct cost to participating manufacturers, who are under no obligation to act on any recommendations. Centers managed by ITEM have conducted assessments in more than 700 plants in the metals fabrication industry (SIC 34). Recommendations made have the potential to reduce energy costs by about 10% on average. The average metals fabrication plant served achieved a 5.7% reduction in annual energy costs. These cost savings are accompanied by a reduction in energy usage of about 1.2 x 10 12 Btu/yr. Another benefit of the program is that it provides hands-on industrial experience and energy efficiency training for engineering students who will take these skills into industry. Since the program began more than 20 years ago, IACs have served less than 2% of the plants in this industry. To provide an effective means for plant managers to access and utilize the knowledge gained over the years ITEM has summarized recommendations that identify specific actions that plant management can take to save money

Breast milk metal ion levels in a young and active patient with a metal-on-metal hip prosthesis.

Science.gov (United States)

Nelis, Raymond; de Waal Malefijt, Jan; Gosens, Taco

2013-01-01

Metal-on-metal resurfacing arthroplasty of the hip has been used increasingly over the last 10 years in younger active patients. The dissolution of the metal wear particles results in measurable increases in cobalt and chromium ions in the serum and urine of patients with a metal-on-metal bearing. We measured the cobalt, chromium, and molybdenum ion levels in urine; serum; and breast milk in a young and active patient with a metal-on-metal hip prosthesis after a pathologic fracture of the femoral neck. Metal-on-metal hip prosthesis leads to increasing levels of molybdenum in breast milk in the short-term follow-up. There are no increasing levels of chromium and cobalt ions in breast milk. Besides the already known elevated concentrations in serum of chromium and cobalt after implantation of a metal-on-metal hip prosthesis, we found no increasing levels of chromium and cobalt in urine. Copyright © 2013 Elsevier Inc. All rights reserved.

In Situ Synthesis of Metal Nanoparticle Embedded Hybrid Soft Nanomaterials.

Science.gov (United States)

Divya, Kizhmuri P; Miroshnikov, Mikhail; Dutta, Debjit; Vemula, Praveen Kumar; Ajayan, Pulickel M; John, George

2016-09-20

The allure of integrating the tunable properties of soft nanomaterials with the unique optical and electronic properties of metal nanoparticles has led to the development of organic-inorganic hybrid nanomaterials. A promising method for the synthesis of such organic-inorganic hybrid nanomaterials is afforded by the in situ generation of metal nanoparticles within a host organic template. Due to their tunable surface morphology and porosity, soft organic materials such as gels, liquid crystals, and polymers that are derived from various synthetic or natural compounds can act as templates for the synthesis of metal nanoparticles of different shapes and sizes. This method provides stabilization to the metal nanoparticles by the organic soft material and advantageously precludes the use of external reducing or capping agents in many instances. In this Account, we exemplify the green chemistry approach for synthesizing these materials, both in the choice of gelators as soft material frameworks and in the reduction mechanisms that generate the metal nanoparticles. Established herein is the core design principle centered on conceiving multifaceted amphiphilic soft materials that possess the ability to self-assemble and reduce metal ions into nanoparticles. Furthermore, these soft materials stabilize the in situ generated metal nanoparticles and retain their self-assembly ability to generate metal nanoparticle embedded homogeneous organic-inorganic hybrid materials. We discuss a remarkable example of vegetable-based drying oils as host templates for metal ions, resulting in the synthesis of novel hybrid nanomaterials. The synthesis of metal nanoparticles via polymers and self-assembled materials fabricated via cardanol (a bioorganic monomer derived from cashew nut shell liquid) are also explored in this Account. The organic-inorganic hybrid structures were characterized by several techniques such as UV-visible spectroscopy, scanning electron microscopy (SEM), and

Understanding how cells allocate metals using metal sensors and metallochaperones.

Science.gov (United States)

Tottey, Stephen; Harvie, Duncan R; Robinson, Nigel J

2005-10-01

Each metalloprotein must somehow acquire the correct metal. We review the insights into metal specificity in cells provided by studies of ArsR-SmtB DNA binding, metal-responsive transcriptional repressors, and a bacterial copper chaperone. Cyanobacteria are the one bacterial group that have known enzymatic demand for cytoplasmic copper import. The copper chaperone and ATPases that supply cyanobacterial plastocyanin and cytochrome oxidase are reviewed, along with related ATPases for cobalt and zinc. These studies highlight the contributions of protein-protein interactions to metal speciation. Metal sensors and metallochaperones, along with metal transporters and metal-storage proteins, act in concert not only to supply the correct metals but also to withhold the wrong ones.

Study of defectiveness in orthosilicates of alkali earth metals by the method of radiospectroscopy

International Nuclear Information System (INIS)

Bikbau, M.Ya.; Akramov, R.

1978-01-01

With a view to investigating the defectiveness of the orthosilicates of alkali-earth metals, the spectra of the electronic paramagnetic resonance of γ-irradiated orthosilicates of Be, Mg, Ca, Sr and Ba have been examined. The spectra are obtained at 77 and 298 K. The maximum concentration and stability of paramagnetic centers is observed on the defects of the crystalline-optical structure of orthosilicates of Sr and Ba, as well as of β-Ca 2 SiO 4 . This is attributed to a great defectiveness of those compounds. On the basis of an analysis of the possible nature of electron and hole paramagnetic centers that are formed in the compounds examined by means of γ-irradiation, it has been suggested to form the electron centers of [M 2+ ]sub(n)sup(e) type. The formation of hole centers has been shown in aluminium used as addition

Speciation in Metal Toxicity and Metal-Based Therapeutics

Directory of Open Access Journals (Sweden)

Douglas M. Templeton

2015-04-01

Full Text Available Metallic elements, ions and compounds produce varying degrees of toxicity in organisms with which they come into contact. Metal speciation is critical to understanding these adverse effects; the adjectives “heavy” and “toxic” are not helpful in describing the biological properties of individual elements, but detailed chemical structures are. As a broad generalization, the metallic form of an element is inert, and the ionic salts are the species that show more significant bioavailability. Yet the salts and other chelates of a metal ion can give rise to quite different toxicities, as exemplified by a range of carcinogenic potential for various nickel species. Another important distinction comes when a metallic element is organified, increasing its lipophilicity and hence its ability to penetrate the blood brain barrier, as is seen, for example, with organic mercury and tin species. Some metallic elements, such as gold and platinum, are themselves useful therapeutic agents in some forms, while other species of the same element can be toxic, thus focusing attention on species interconversions in evaluating metal-based drugs. The therapeutic use of metal-chelating agents introduces new species of the target metal in vivo, and this can affect not only its desired detoxification, but also introduce a potential for further mechanisms of toxicity. Examples of therapeutic iron chelator species are discussed in this context, as well as the more recent aspects of development of chelation therapy for uranium exposure.

Liquid metal MHD research and development in Israel

International Nuclear Information System (INIS)

Branover, H.

1993-01-01

The study of liquid metal MHD in Israel commenced in 1973. Initially it was concentrated mainly on laminar flows influenced by external magnetic fields. In 1978 a liquid metal MHD energy conversion program was started. This program was developed at the Center for MHD Studies at Ben-Gurion University in Beer-Sheva, with the participation of specialists from the Technion, the Hebrew University of Jerusalem, Israel Atomic Energy Commission, and others. The program was sponsored initially by the Israel Ministry of Energy and Infrastructure, and later by the Ministry of Industry and Trade. Since 1980, Solmecs, a private commercial company has become a major factor in the development of liquid metal MHD in Israel. From the very beginning the program was based on broad international cooperation. A number of overseas institutions and individuals became participants in the program. Through extensive research and evaluation of a number of concepts of liquid metal MHD power generation systems, It was established that the most promising concept, demanding a relatively short period of development, is the gravitational system using heavy metals (lead, lead alloys) as the magneto-hydrodynamic fluid and steam or gases as thermodynamic fluids. This concept was chosen for further development and industrial application, and the program related to such systems was named the Etgar Program. The main directions of research and development activities have been defined as follows: investigations of physical phenomena, development of universal numerical code for parametric studies, optimization and design of the system, material studies, development of engineering components, building and testing of integrated small-scale Etgar type systems, economic evaluation of the system and comparison with conventional technologies, development of moderate scale industrial demonstration plant. At this time 6 items have been fully implemented and activities on the last item were started. (author)

Electron Spin Resonance Studies of Carbonic Anhydrase: Transition Metal Ions and Spin-Labeled Sulfonamides*

Science.gov (United States)

Taylor, June S.; Mushak, Paul; Coleman, Joseph E.

1970-01-01

Electron spin resonance (esr) spectra of Cu(II) and Co(II) carbonic anhydrase, and a spin-labeled sulfonamide complex of the Zn(II) enzyme, are reported. The coordination geometry of Cu(II) bound in the enzyme appears to have approximately axial symmetry. Esr spectra of enzyme complexes with metal-binding anions also show axial symmetry and greater covalency, in the order ethoxzolamide cyanide complex suggests the presence of two, and probably three, equivalent nitrogen ligands from the protein. Esr spectra of the Co(II) enzyme and its complexes show two types of Co(II) environment, one typical of the native enzyme and the 1:1 CN- complex, and one typical of a 2:1 CN- complex. Co(II) in the 2:1 complex appears to be low-spin and probably has a coordination number of 5. Binding of a spin-labeled sulfonamide to the active center immobilizes the free radical. The similarity of the esr spectra of spin-labeled Zn(II) and Co(II) carbonic anhydrases suggests that the conformation at the active center is similar in the two metal derivatives. PMID:4320976

Beneficial reuse `96: The fourth annual conference on the recycle and reuse of radioactive scrap metal

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-02-01

From October 22-24, 1996 the University of Tennessee`s Energy, Environment and Resources Center and the Oak Ridge National Laboratory`s Center for Risk Management cosponsored Beneficial Reuse `96: The Fourth Annual Conference on the Recycle and Reuse of Radioactive Materials. Along with the traditional focus on radioactive scrap metals, this year`s conference included a wide range of topics pertaining to naturally occurring radioactive materials (NORM), and contaminated concrete reuse applications. As with previous Beneficial Reuse conferences, the primary goal of this year`s conference was to bring together stakeholder representatives for presentations, panel sessions and workshops on significant waste minimization issues surrounding the recycle and reuse of contaminated metals and other materials. A wide range of industry, government and public stakeholder groups participated in this year`s conference. An international presence from Canada, Germany and Korea helped to make Beneficial Reuse `96 a well-rounded affair. Selected papers have been processed separately for inclusion in the Energy Science and Technology Database.

Novel condensation of Au-centered trigonal prisms in rare-earth-metal-rich tellurides: Er7Au2Te2 and Lu7Au2Te2.

Science.gov (United States)

Gupta, Shalabh; Corbett, John D

2010-07-14

A new monoclinic structure occurs for Er(7)Au(2)Te(2) according to X-ray diffraction analysis of single crystals grown at 1200 degrees C: C2/m, Z = 4, a = 17.8310(9) A, b = 3.9819(5) A, c = 16.9089(9) A, beta = 104.361(4) degrees. The isostructural Lu(7)Au(2)Te(2) also exists according to X-ray powder pattern means, a = 17.536(4) A, b = 3.9719(4) A, c = 16.695(2) A, beta = 104.33(1) degrees. The structure contains zigzag chains of condensed, Au-centered tricapped trigonal prisms (TCTP) of Er along c that also share basal faces along b to generate puckered sheets. Further bi-face-capping Er atoms between these generate the three dimensional network along a, with tellurium in cavities outlined by augmented trigonal prismatic Er polyhedra. Bonding analysis via LMTO-DFT methods reveal very significant Er-Au bonding interactions, as quantified by their energy-weighted Hamilton overlap populations (-ICOHP), approximately 49% of the total for all interactions. These and similar Er-Te contributions sharply contrast with the small Er-Er population, only approximately 14% of the total in spite of the high proportion of Er-Er contacts. The strong polar bonding of Er to the electronegative Au and Te leaves Er relatively oxidized, with many of its 5d states falling above the Fermi level and empty. The contradiction with customary representations of structures that highlight rare-earth metal clusters is manifest. The large Er-Au Hamilton overlap population is in accord with the strong bonding between early and late transition metals first noted by Brewer in 1973. The relationship of this structure to the more distorted orthorhombic (Imm2) structure type of neighboring Dy(7)Ir(2)Te(2) is considered.

Nanotoxicity: the toxicity research progress of metal and metal-containing nanoparticles.

Science.gov (United States)

Ding, Lingling; Liu, Zhidong; Aggrey, Mike Okweesi; Li, Chunhua; Chen, Jing; Tong, Ling

2015-01-01

Along with the exuberant development of nanotechnology, a large number of nanoformulations or non materials are successfully applied in the clinics, biomedicine, cosmetics and industry. Despite some unique advantages of nanoformulations, there exist potentially worrying toxic effects, particularly those related to metal and metal-containing nanoparticles (NPs). Although various researches have been conducted to assess the metallic and metal-containing nanoparticles toxic effects, only little is known about the toxicity expressive types and evaluation, reasons and mechanisms, influencing factors and research methods of metal and metal-containing nanotoxicity. Therefore, it is of importance to acquire a better understanding of metal and metal-containing nanoparticles toxicity for medical application. This review presents a summary on the metal and metal-containing nanoparticles toxicity research progress consulting relevant literature.

Heavy metals

OpenAIRE

Adriano, Domy; VANGRONSVELD, Jaco; Bolan, N.S.; Wenzel, W.W.

2005-01-01

- Sources of Metals in the Environment - Environmental Contamination - Retention and Dynamics of Metals in Soils - Adsorption - Complexation - Precipitation - Bioavailability–Natural Attenuation Interactions - Biological Response to Metals - Soil Remediation

Aluminum-centered tetrahedron-octahedron transition in advancing Al-Sb-Te phase change properties.

Science.gov (United States)

Xia, Mengjiao; Ding, Keyuan; Rao, Feng; Li, Xianbin; Wu, Liangcai; Song, Zhitang

2015-02-24

Group IIIA elements, Al, Ga, or In, etc., doped Sb-Te materials have proven good phase change properties, especially the superior data retention ability over popular Ge2Sb2Te5, while their phase transition mechanisms are rarely investigated. In this paper, aiming at the phase transition of Al-Sb-Te materials, we reveal a dominant rule of local structure changes around the Al atoms based on ab initio simulations and nuclear magnetic resonance evidences. By comparing the local chemical environments around Al atoms in respective amorphous and crystalline Al-Sb-Te phases, we believe that Al-centered motifs undergo reversible tetrahedron-octahedron reconfigurations in phase transition process. Such Al-centered local structure rearrangements significantly enhance thermal stability of amorphous phase compared to that of undoped Sb-Te materials, and facilitate a low-energy amorphization due to the weak links among Al-centered and Sb-centered octahedrons. Our studies may provide a useful reference to further understand the underlying physics and optimize performances of all IIIA metal doped Sb-Te phase change materials, prompting the development of NOR/NAND Flash-like phase change memory technology.

Metal transformation as a strategy for bacterial detoxification of heavy metals.

Science.gov (United States)

Essa, Ashraf M M; Al Abboud, Mohamed A; Khatib, Sayeed I

2018-01-01

Microorganisms can modify the chemical and physical characters of metals leading to an alteration in their speciation, mobility, and toxicity. Aqueous heavy metals solutions (Hg, Cd, Pb, Ag, Cu, and Zn) were treated with the volatile metabolic products (VMPs) of Escherichia coli Z3 for 24 h using aerobic bioreactor. The effect of the metals treated with VMPs in comparison to the untreated metals on the growth of E. coli S1 and Staphylococcus aureus S2 (local isolates) was examined. Moreover, the toxic properties of the treated and untreated metals were monitored using minimum inhibitory concentration assay. A marked reduction of the treated metals toxicity was recorded in comparison to the untreated metals. Scanning electron microscopy and energy dispersive X-ray analysis revealed the formation of metal particles in the treated metal solutions. In addition to heavy metals at variable ratios, these particles consisted of carbon, oxygen, sulfur, nitrogen elements. The inhibition of metal toxicity was attributed to the existence of ammonia, hydrogen sulfide, and carbon dioxide in the VMPs of E. coli Z3 culture that might responsible for the transformation of soluble metal ions into metal complexes. This study clarified the capability of E. coli Z3 for indirect detoxification of heavy metals via the immobilization of metal ions into biologically unavailable species. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stress and Reliability Analysis of a Metal-Ceramic Dental Crown

Science.gov (United States)

Anusavice, Kenneth J; Sokolowski, Todd M.; Hojjatie, Barry; Nemeth, Noel N.

1996-01-01

Interaction of mechanical and thermal stresses with the flaws and microcracks within the ceramic region of metal-ceramic dental crowns can result in catastrophic or delayed failure of these restorations. The objective of this study was to determine the combined influence of induced functional stresses and pre-existing flaws and microcracks on the time-dependent probability of failure of a metal-ceramic molar crown. A three-dimensional finite element model of a porcelain fused-to-metal (PFM) molar crown was developed using the ANSYS finite element program. The crown consisted of a body porcelain, opaque porcelain, and a metal substrate. The model had a 300 Newton load applied perpendicular to one cusp, a load of 30ON applied at 30 degrees from the perpendicular load case, directed toward the center, and a 600 Newton vertical load. Ceramic specimens were subjected to a biaxial flexure test and the load-to-failure of each specimen was measured. The results of the finite element stress analysis and the flexure tests were incorporated in the NASA developed CARES/LIFE program to determine the Weibull and fatigue parameters and time-dependent fracture reliability of the PFM crown. CARES/LIFE calculates the time-dependent reliability of monolithic ceramic components subjected to thermomechanical and/Or proof test loading. This program is an extension of the CARES (Ceramics Analysis and Reliability Evaluation of Structures) computer program.

Bacterial metal resistance genes and metal bioavailability in contaminated sediments

International Nuclear Information System (INIS)

Roosa, Stéphanie; Wattiez, Ruddy; Prygiel, Emilie; Lesven, Ludovic; Billon, Gabriel; Gillan, David C.

2014-01-01

In bacteria a metal may be defined as bioavailable if it crosses the cytoplasmic membrane to reach the cytoplasm. Once inside the cell, specific metal resistance systems may be triggered. In this research, specific metal resistance genes were used to estimate metal bioavailability in sediment microbial communities. Gene levels were measured by quantitative PCR and correlated to metals in sediments using five different protocols to estimate dissolved, particle-adsorbed and occluded metals. The best correlations were obtained with czcA (a Cd/Zn/Co efflux pump) and Cd/Zn adsorbed or occluded in particles. Only adsorbed Co was correlated to czcA levels. We concluded that the measurement of czcA gene levels by quantitative PCR is a promising tool which may complement the classical approaches used to estimate Cd/Zn/Co bioavailability in sediment compartments. - Highlights: • Metal resistance genes were used to estimate metal bioavailability in sediments. • Gene levels were correlated to metals using 5 different metal extraction protocols. • CzcA gene levels determined by quantitative PCR is a promising tool for Cd/Zn/Co. - Capsule Bacterial czcA is a potential biomarker of Cd, Zn and Co bioavailability in aquatic sediments as shown by quantitative PCR and sequential metal extraction

Graphite crystals grown within electromagnetically levitated metallic droplets

International Nuclear Information System (INIS)

Amini, Shaahin; Kalaantari, Haamun; Mojgani, Sasan; Abbaschian, Reza

2012-01-01

Various graphite morphologies were observed to grow within the electromagnetically levitated nickel–carbon melts, including primary flakes and spheres, curved surface graphite and eutectic flakes, as well as engulfed and entrapped particles. As the supersaturated metallic solutions were cooled within the electromagnetic (EM) levitation coil, the primary graphite flakes and spheres formed and accumulated near the periphery of the droplet due to EM circulation. The primary graphite islands, moreover, nucleated and grew on the droplet surface which eventually formed a macroscopic curved graphite crystal covering the entire liquid. Upon further cooling, the liquid surrounding the primary graphite went under a coupled eutectic reaction while the liquid in the center formed a divorced eutectic due to EM mixing. This brought about the formation of graphite fine flakes and agglomerated particles close to the surface and in the center of the droplet, respectively. The graphite morphologies, growth mechanisms, defects, irregularities and growth instabilities were interpreted with detailed optical and scanning electron microscopies.

Metal-in-metal localized surface plasmon resonance

Energy Technology Data Exchange (ETDEWEB)

Smith, G B; Earp, A A, E-mail: g.smith@uts.edu.au [Department of Physics and Advanced Materials and Institute of Nanoscale Technology, University of Technology, Sydney, PO Box 123, Broadway NSW 2007 (Australia)

2010-01-08

Anomalous strong resonances in silver and gold nanoporous thin films which conduct are found to arise from isolated metal nano-islands separated from the surrounding percolating metal network by a thin loop of insulator. This observed resonant optical response is modelled. The observed peak position is in agreement with the observed average dimensions of the silver core and insulator shell. As the insulating ring thickness shrinks, the resonance moves to longer wavelengths and strengthens. This structure is the Babinet's principle counterpart of dielectric core-metal shell nanoparticles embedded in dielectric. Like for the latter, tuning of resonant absorption is possible, but here the matrix reflects rather than transmits, and tuning to longer wavelengths is more practical. A new class of metal mirror occurring as a single thin layer is identified using the same resonances in dense metal mirrors. Narrow band deep localized dips in reflectance result.

Metal-in-metal localized surface plasmon resonance

Science.gov (United States)

Smith, G. B.; Earp, A. A.

2010-01-01

Anomalous strong resonances in silver and gold nanoporous thin films which conduct are found to arise from isolated metal nano-islands separated from the surrounding percolating metal network by a thin loop of insulator. This observed resonant optical response is modelled. The observed peak position is in agreement with the observed average dimensions of the silver core and insulator shell. As the insulating ring thickness shrinks, the resonance moves to longer wavelengths and strengthens. This structure is the Babinet's principle counterpart of dielectric core-metal shell nanoparticles embedded in dielectric. Like for the latter, tuning of resonant absorption is possible, but here the matrix reflects rather than transmits, and tuning to longer wavelengths is more practical. A new class of metal mirror occurring as a single thin layer is identified using the same resonances in dense metal mirrors. Narrow band deep localized dips in reflectance result.

A highly efficient surface plasmon polaritons excitation achieved with a metal-coupled metal-insulator-metal waveguide

Directory of Open Access Journals (Sweden)

Hongyan Yang

2014-12-01

Full Text Available We propose a novel metal-coupled metal-insulator-metal (MC-MIM waveguide which can achieve a highly efficient surface plasmon polaritons (SPPs excitation. The MC-MIM waveguide is formed by inserting a thin metal film in the insulator of an MIM. The introduction of the metal film, functioning as an SPPs coupler, provides a space for the interaction between SPPs and a confined electromagnetic field of the intermediate metal surface, which makes energy change and phase transfer in the metal-dielectric interface, due to the joint action of incomplete electrostatic shielding effect and SPPs coupling. Impacts of the metal film with different materials and various thickness on SPPs excitation are investigated. It is shown that the highest efficient SPPs excitation is obtained when the gold film thickness is 60 nm. The effect of refractive index of upper and lower symmetric dielectric layer on SPPs excitation is also discussed. The result shows that the decay value of refractive index is 0.3. Our results indicate that this proposed MC-MIM waveguide may offer great potential in designing a new SPPs source.

Plasmonic enhancement of a silicon-vacancy center in a nanodiamond crystal

Science.gov (United States)

Meng, Xiang; Liu, Shang; Dadap, Jerry I.; Osgood, Richard M.

2017-06-01

This work reports a rigorous and comprehensive three-dimensional electromagnetic computation to investigate and design photoluminescence enhancement from a single silicon-vacancy center (SVC) in a nanodiamond crystal embedded in various metallic nanoantennae, each having a different geometry. The study demonstrates how each antenna design enhances the photoluminescence of SVCs in diamond. In particular, our report discusses how the 2D or 3D curvature of the nanoantenna and the control of the local environment of the SVC can lead to significant field enhancement of its optical field. Our calculated optimal photoluminescence for each design enhances the emission intensity by 15 -300 × that of a single SVC without antenna. The enhancement mechanisms are investigated using four representative structures that can be fabricated under feasible and realistic growth conditions, i.e., spherical-, nanorod-, nanodisk-dimer, and bow-tie nanoantennae. These results demonstrate a method for rationally designing arbitrary metallic nanoantenna/emitter assemblies to achieve optimal SVC photoluminescence.

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

Science.gov (United States)

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

2013-11-25

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

Alkali metal-refractory metal biphase electrode for AMTEC

Science.gov (United States)

Williams, Roger M. (Inventor); Bankston, Clyde P. (Inventor); Cole, Terry (Inventor); Khanna, Satish K. (Inventor); Jeffries-Nakamura, Barbara (Inventor); Wheeler, Bob L. (Inventor)

1989-01-01

An electrode having increased output with slower degradation is formed of a film applied to a beta-alumina solid electrolyte (BASE). The film comprises a refractory first metal M.sup.1 such as a platinum group metal, suitably platinum or rhodium, capable of forming a liquid or a strong surface adsorption phase with sodium at the operating temperature of an alkali metal thermoelectric converter (AMTEC) and a second refractory metal insoluble in sodium or the NaM.sup.1 liquid phase such as a Group IVB, VB or VIB metal, suitably tungsten, molybdenum, tantalum or niobium. The liquid phase or surface film provides fast transport through the electrode while the insoluble refractory metal provides a structural matrix for the electrode during operation. A trilayer structure that is stable and not subject to deadhesion comprises a first, thin layer of tungsten, an intermediate co-deposited layer of tungsten-platinum and a thin surface layer of platinum.

Trends on 3d transition metal impurities in diamond

International Nuclear Information System (INIS)

Assali, L.V.C.; Machado, W.V.M.; Justo, J.F.

2009-01-01

We carried out a first principles investigation on the electronic properties and chemical trends of 3d transition metal related impurities in diamond. In terms of formation energy, the interstitial site is considerably more unfavorable than the substitutional or divacancy ones. Going from Ti to Ni, the 3d-related energy levels in the gap become deeper toward the valence band in all three sites. However, in the divacancy one, those levels cross with the divacancy-related ones, such that the electronic property of the center depends on the character of the highest occupied level.

The close binary frequency of Wolf-Rayet stars as a function of metallicity in M31 and M33

Energy Technology Data Exchange (ETDEWEB)

Neugent, Kathryn F.; Massey, Philip, E-mail: kneugent@lowell.edu, E-mail: phil.massey@lowell.edu [Lowell Observatory, 1400 West Mars Hill Road, Flagstaff, AZ 86001 (United States)

2014-07-01

Massive star evolutionary models generally predict the correct ratio of WC-type and WN-type Wolf-Rayet stars at low metallicities, but underestimate the ratio at higher (solar and above) metallicities. One possible explanation for this failure is perhaps single-star models are not sufficient and Roche-lobe overflow in close binaries is necessary to produce the 'extra' WC stars at higher metallicities. However, this would require the frequency of close massive binaries to be metallicity dependent. Here we test this hypothesis by searching for close Wolf-Rayet binaries in the high metallicity environments of M31 and the center of M33 as well as in the lower metallicity environments of the middle and outer regions of M33. After identifying ∼100 Wolf-Rayet binaries based on radial velocity variations, we conclude that the close binary frequency of Wolf-Rayets is not metallicity dependent and thus other factors must be responsible for the overabundance of WC stars at high metallicities. However, our initial identifications and observations of these close binaries have already been put to good use as we are currently observing additional epochs for eventual orbit and mass determinations.

Thiol-functionalization of metal-organic framework by a facile coordination-based postsynthetic strategy and enhanced removal of Hg2+ from water.

Science.gov (United States)

Ke, Fei; Qiu, Ling-Guang; Yuan, Yu-Peng; Peng, Fu-Min; Jiang, Xia; Xie, An-Jian; Shen, Yu-Hua; Zhu, Jun-Fa

2011-11-30

The presence of coordinatively unsaturated metal centers in metal-organic frameworks (MOFs) provides an accessible way to selectively functionalize MOFs through coordination bonds. In this work, we describe thiol-functionalization of MOFs by choosing a well known three-dimensional (3D) Cu-based MOF, i.e. [Cu(3)(BTC)(2)(H(2)O)(3)](n) (HKUST-1, BTC=benzene-1,3,5-tricarboxylate), by a facile coordination-based postsynthetic strategy, and demonstrate their application for removal of heavy metal ion from water. A series of [Cu(3)(BTC)(2)](n) samples stoichiometrically decorated with thiol groups has been prepared through coordination bonding of coordinatively unsaturated metal centers in HKUST-1 with -SH group in dithioglycol. The obtained thiol-functionalized samples were characterized by powder X-ray diffraction, scanning electron microscope, energy dispersive X-ray spectroscopy, infrared spectroscopy, and N(2) sorption-desorption isothermal. Significantly, the thiol-functionalized [Cu(3)(BTC)(2)](n) exhibited remarkably high adsorption affinity (K(d)=4.73 × 10(5)mL g(-1)) and high adsorption capacity (714.29 mg g(-1)) for Hg(2+) adsorption from water, while the unfunctionalized HKUST-1 showed no adsorption of Hg(2+) under the same condition. Copyright © 2011 Elsevier B.V. All rights reserved.

Plasma methods for metals recovery from metal-containing waste.

Science.gov (United States)

Changming, Du; Chao, Shang; Gong, Xiangjie; Ting, Wang; Xiange, Wei

2018-04-27

Metal-containing waste, a kind of new wastes, has a great potential for recycling and is also difficult to deal with. Many countries pay more and more attention to develop the metal recovery process and equipment of this kind of waste as raw material, so as to solve the environmental pollution and comprehensively utilize the discarded metal resources. Plasma processing is an efficient and environmentally friendly way for metal-containing waste. This review mainly discuss various metal-containing waste types, such as printed circuit boards (PCBs), red mud, galvanic sludge, Zircon, aluminium dross and incinerated ash, and the corresponding plasma methods, which include DC extended transferred arc plasma reactor, DC non-transferred arc plasma torch, RF thermal plasma reactor and argon and argon-hydrogen plasma jets. In addition, the plasma arc melting technology has a better purification effect on the extraction of useful metals from metal-containing wastes, a great capacity of volume reduction of waste materials, and a low leaching toxicity of solid slag, which can also be used to deal with all kinds of metal waste materials, having a wide range of applications. Copyright © 2018 Elsevier Ltd. All rights reserved.

Half-Metallic Ferromagnetism and Stability of Transition Metal Pnictides and Chalcogenides

Science.gov (United States)

Liu, Bang-Gui

It is highly desirable to explore robust half-metallic ferromagnetic materials compatible with important semiconductors for spintronic applications. A state-of-the-art full potential augmented plane wave method within the densityfunctional theory is reliable enough for this purpose. In this chapter we review theoretical research on half-metallic ferromagnetism and structural stability of transition metal pnictides and chalcogenides. We show that some zincblende transition metal pnictides are half-metallic and the half-metallic gap can be fairly wide, which is consistent with experiment. Systematic calculations reveal that zincblende phases of CrTe, CrSe, and VTe are excellent half-metallic ferromagnets. These three materials have wide half-metallic gaps, are low in total energy with respect to the corresponding ground-state phases, and, importantly, are structurally stable. Halfmetallic ferromagnetism is also found in wurtzite transition metal pnictides and chalcogenides and in transition-metal doped semiconductors as well as deformed structures. Some of these half-metallic materials could be grown epitaxially in the form of ultrathin .lms or layers suitable for real spintronic applications.

Annual report of the Tandem Accelerator Center, University of Tsukuba

International Nuclear Information System (INIS)

1989-07-01

This Annual Report covers the research activities and the technical developments of the Tandem Accelerator Center, University of Tsukuba, for the period from April 1988 to March 1989. Laborious work of refreshing 12UD has continued throughout the year, in parallel with the regular machine-time service. Almost 95% of the work has been completed by the end of March 1989. At the time of writing this manuscript, 12UD is running up modestly beyond 11.0MV, raising joyous murmur of pellet chains. She has recovered up to the hilt. In spite of the considerable time consumed by the refreshing, the total machine-time has exceeded 3,000 hours. Activities at the Center covered a wide area of research field, viz. 1) nuclear spectroscopy of transitional nuclei, 2) heavy ion fusion and fission processes, 3) polarization phenomena in nuclear reactions, 4) charge exchange process in atomic collisions, 5) application of energetic heavy ions to investigating solid-state physics, and 6) effect of ion-irradiation on the fatigue properties of metal. Theoretical work pertinent to the nuclear structure is also included in this report. Prospects for a project attempting to equip the Center with a crystal-ball spectrometer is, at least, not gloomy. First streaks of light seems to begin glimmering. (author)

Xenon Recovery at Room Temperature using Metal-Organic Frameworks

Energy Technology Data Exchange (ETDEWEB)

Elsaidi, Sameh K. [Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland WA 99352 USA; Chemistry Department, Faculty of Science, Alexandria University, P. O. Box 426 Ibrahimia Alexandria 21321 Egypt; Ongari, Daniele [Laboratory of Molecular Simulation, Institut des Sciences et Ingeénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Rue de l' Industrie 17 1951 Sion Valais Switzerland; Xu, Wenqian [X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne IL 60439 USA; Mohamed, Mona H. [Chemistry Department, Faculty of Science, Alexandria University, P. O. Box 426 Ibrahimia Alexandria 21321 Egypt; Haranczyk, Maciej [IMDEA Materials Institute, c/Eric Kandel 2 28906 Getafe, Madrid Spain; Thallapally, Praveen K. [Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland WA 99352 USA

2017-07-24

Xenon is known to be a very efficient anesthetic gas but its cost prohibits the wider use in medical industry and other potential applications. It has been shown that Xe recovery and recycle from anesthetic gas mixture can significantly reduce its cost as anesthetic. The current technology uses series of adsorbent columns followed by low temperature distillation to recover Xe, which is expensive to use in medical facilities. Herein, we propose much efficient and simpler system to recover and recycle Xe from simulant exhale anesthetic gas mixture at room temperature using metal organic frameworks. Among the MOFs tested, PCN-12 exhibits unprecedented performance with high Xe capacity, Xe/N2 and Xe/O2 selectivity at room temperature. The in-situ synchrotron measurements suggest the Xe is occupied in the small pockets of PCN-12 compared to unsaturated metal centers (UMCs). Computational modeling of adsorption further supports our experimental observation of Xe binding sites in PCN-12.

Xenon Recovery at Room Temperature using Metal-Organic Frameworks

Energy Technology Data Exchange (ETDEWEB)

Elsaidi, Sameh K. [Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland WA 99352 USA; Chemistry Department, Faculty of Science, Alexandria University, P. O. Box 426 Ibrahimia Alexandria 21321 Egypt; Ongari, Daniele [Laboratory of Molecular Simulation, Institut des Sciences et Ingeénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Rue de l' Industrie 17 1951 Sion Valais Switzerland; Xu, Wenqian [X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne IL 60439 USA; Mohamed, Mona H. [Chemistry Department, Faculty of Science, Alexandria University, P. O. Box 426 Ibrahimia Alexandria 21321 Egypt; Haranczyk, Maciej [IMDEA Materials Institute, c/Eric Kandel 2 28906 Getafe, Madrid Spain; Thallapally, Praveen K. [Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland WA 99352 USA

2017-07-24

Xenon is known to be a very efficient anesthetic gas but its cost prohibits the wider use in medical industry and other potential applications. It has been shown that Xe recovery and recycle from anesthetic gas mixture can significantly reduce its cost as anesthetic. The current technology uses series of adsorbent columns followed by low temperature distillation to recover Xe, which is expensive to use in medical facilities. Herein, we propose much efficient and simpler system to recover and recycle Xe from simulant exhale anesthetic gas mixture at room temperature using metal organic frameworks. Among the MOFs tested, PCN-12 exhibits unprecedented performance with high Xe capacity, Xe/O2, Xe/N2 and Xe/CO2 selectivity at room temperature. The in-situ synchrotron measurements suggest the Xe is occupied in the small pockets of PCN-12 compared to unsaturated metal centers (UMCs). Computational modeling of adsorption further supports our experimental observation of Xe binding sites in PCN-12.

Calculation of thermal stress condition in long metal cylinder under heating by continuous laser radiation

International Nuclear Information System (INIS)

Uglov, A.A.; Uglov, S.A.; Kulik, A.N.

1997-01-01

The method of determination of temperature field and unduced thermal stresses in long metallic cylinder under its heating by cw-laser normally distributed heat flux is offered. The graphically presented results of calculation show the stress maximum is placed behind of center of laser heat sport along its movement line on the cylinder surface

Architectural design criteria for f-block metal sequestering agents. 1997 annual progress report

International Nuclear Information System (INIS)

Hay, B.P.; Paine, R.T.; Roundhill, D.M.

1997-01-01

'The objective of this project is to provide the means to optimize ligand architecture for f-block metal recognition. The authors strategy builds on an innovative and successful molecular modeling approach in developing polyether ligand design criteria for the alkali and alkaline earth cations. The hypothesis underlying this proposal is that differences in metal ion binding with multidentate ligands bearing the same number and type of donor groups are primarily attributable to intramolecular steric factors. The authors propose quantifying these steric factors through the application of molecular mechanics models. The proposed research involves close integration of theoretical and experimental chemistry. The experimental work entails synthesizing novel ligands and experimentally determining structures and binding constants for metal ion complexation by series of ligands in which architecture is systematically varied. The theoretical work entails using electronic structure calculations to parameterize a molecular mechanics force field for a range of metal ions and ligand types. The resulting molecular mechanics force field will be used to predict low-energy structures for unidentate, bidentate, and multidentate ligands and their metal complexes through conformational searches. Results will be analyzed to assess the relative importance of several steric factors including optimal M-L length, optimal geometry at the metal center, optimal geometry at the donor atoms (complementarity), and conformation prior to binding (preorganization). An accurate set of criteria for the design of ligand architecture will be obtained from these results. These criteria will enable researchers to target ligand structures for synthesis and thereby dramatically reduce the time and cost associated with metal-specific ligand development.'

The First National Student Conference: NASA University Research Centers at Minority Institutions

Science.gov (United States)

Daso, Endwell O. (Editor); Mebane, Stacie (Editor)

1997-01-01

The conference includes contributions from 13 minority universities with NASA University Research Centers. Topics discussed include: leadership, survival strategies, life support systems, food systems, simulated hypergravity, chromium diffusion doping, radiation effects on dc-dc converters, metal oxide glasses, crystal growth of Bil3, science and communication on wheels, semiconductor thin films, numerical solution of random algebraic equations, fuzzy logic control, spatial resolution of satellite images, programming language development, nitric oxide in the thermosphere and mesosphere, high performance polyimides, crossover control in genetic algorithms, hyperthermal ion scattering, etc.

Recycling of Metals

DEFF Research Database (Denmark)

Damgaard, Anders; Christensen, Thomas Højlund

2011-01-01

Metals like iron and aluminium are produced from mineral ore and used for a range of products, some of which have very short lifetimes and thus constitute a major fraction of municipal waste. Packaging in terms of cans, foils and containers are products with a short lifetime. Other products like...... appliances, vehicles and buildings, containing iron and aluminium metals, have long lifetimes before they end up in the waste stream. The recycling of production waste and postconsumer metals has a long history in the metal industry. Some metal smelters are today entirely based on scarp metals. This chapter...... describes briefly how iron and aluminium are produced and how scrap metal is recycled in the industry. Quality requirements and use of recycled products are discussed, as are the resource and environmental issues of metal recycling. Copper and other metals are also found in waste but in much smaller...

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

Science.gov (United States)

Konsolakis, Michalis; Ioakeimidis, Zisis

2014-11-01

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

Magnetic susceptibility of 244Cm metal and 249Cf metal

International Nuclear Information System (INIS)

Fujita, D.K.; Parsons, T.C.; Edelstein, N.; Noe, M.; Peterson, J.R.

1975-07-01

The first magnetic susceptibility measurements made on the expanded fcc phase of 249 Cf metal are reported. Further measurements are needed on other Cf metal phases. Another measurement of the magnetic susceptibility of 244 Cm metal in a limited temperature range has been reported. The result does not agree with previously reported values. Further work is continuing on the synthesis of 244 Cm metal and 248 Cm metal and magnetic measurements on these samples. (auth)

Evaluation of Orthopedic Metal Artifact Reduction Application in Three-Dimensional Computed Tomography Reconstruction of Spinal Instrumentation: A Single Saudi Center Experience.

Science.gov (United States)

Ali, Amir Monir

2018-01-01

The aim of the study was to evaluate the commercially available orthopedic metal artifact reduction (OMAR) technique in postoperative three-dimensional computed tomography (3DCT) reconstruction studies after spinal instrumentation and to investigate its clinical application. One hundred and twenty (120) patients with spinal metallic implants were included in the study. All had 3DCT reconstruction examinations using the OMAR software after obtaining the informed consents and approval of the Institution Ethical Committee. The degree of the artifacts, the related muscular density, the clearness of intermuscular fat planes, and definition of the adjacent vertebrae were qualitatively evaluated. The diagnostic satisfaction and quality of the 3D reconstruction images were thoroughly assessed. The majority (96.7%) of 3DCT reconstruction images performed were considered satisfactory to excellent for diagnosis. Only 3.3% of the reconstructed images had rendered unacceptable diagnostic quality. OMAR can effectively reduce metallic artifacts in patients with spinal instrumentation with highly diagnostic 3DCT reconstruction images.

Catalytic production of metal carbonyls from metal oxides

Science.gov (United States)

Sapienza, Richard S.; Slegeir, William A.; Foran, Michael T.

1984-01-01

This invention relates to the formation of metal carbonyls from metal oxides and specially the formation of molybdenum carbonyl and iron carbonyl from their respective oxides. Copper is used here in admixed form or used in chemically combined form as copper molybdate. The copper/metal oxide combination or combined copper is utilized with a solvent, such as toluene and subjected to carbon monoxide pressure of 25 atmospheres or greater at about 150.degree.-260.degree. C. The reducing metal copper is employed in catalytic concentrations or combined concentrations as CuMoO.sub.4 and both hydrogen and water present serve as promoters. It has been found that the yields by this process have been salutary and that additionally the catalytic metal may be reused in the process to good effect.

Process to separate alkali metal salts from alkali metal reacted hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Gordon, John Howard; Alvare, Javier; Larsen, Dennis; Killpack, Jeff

2017-06-27

A process to facilitate gravimetric separation of alkali metal salts, such as alkali metal sulfides and polysulfides, from alkali metal reacted hydrocarbons. The disclosed process is part of a method of upgrading a hydrocarbon feedstock by removing heteroatoms and/or one or more heavy metals from the hydrocarbon feedstock composition. This method reacts the oil feedstock with an alkali metal and an upgradant hydrocarbon. The alkali metal reacts with a portion of the heteroatoms and/or one or more heavy metals to form an inorganic phase containing alkali metal salts and reduced heavy metals, and an upgraded hydrocarbon feedstock. The inorganic phase may be gravimetrically separated from the upgraded hydrocarbon feedstock after mixing at a temperature between about 350.degree. C. to 400.degree. C. for a time period between about 15 minutes and 2 hours.

Pulse Radiolysis Studies of Temperature Dependent Electron Transfers among Redox Centers in ba(3)-Cytochrome c Oxidase from Thermus thermophilus

DEFF Research Database (Denmark)

Farver, Ole; Wherland, Scot; Antholine, William E

2010-01-01

The functioning of cytochrome c oxidases involves orchestration of long-range electron transfer (ET) events among the four redox active metal centers. We report the temperature dependence of electron transfer from the Cu(A)(r) site to the low-spin heme-(a)b(o) site, i.e., Cu(A)(r) + heme-a(b)(o) ......The functioning of cytochrome c oxidases involves orchestration of long-range electron transfer (ET) events among the four redox active metal centers. We report the temperature dependence of electron transfer from the Cu(A)(r) site to the low-spin heme-(a)b(o) site, i.e., Cu(A)(r) + heme...... in cytochrome ba(3) had no effect on the rate of this reaction whereas the II-Met160Leu Cu(A)-mutation was slower by an amount corresponding to a decreased driving force of ∼0.06 eV. The structures support the presence of a common, electron-conducting "wire" between Cu(A) and heme-a(b). The transfer...

Immunoglobulin classes, metal binding proteins, and trace metals in ...

African Journals Online (AJOL)

, IgA and IgM), metal binding proteins (Transferrin, Caeruloplasmin, Alpha-2- Macroglobulin and Haptoglobin) and nutritionally essential trace metals/heavy metals (Zn, Fe, Se, Cu, Mg, Cd and Pb) in Nigerian cassava processors using single ...

A bird’s eye view on the flat and conic band world of the honeycomb and Kagome lattices: towards an understanding of 2D metal-organic frameworks electronic structure

Science.gov (United States)

Barreteau, C.; Ducastelle, F.; Mallah, T.

2017-11-01

We present a thorough tight-binding analysis of the band structure of a wide variety of lattices belonging to the class of honeycomb and Kagome systems including several mixed forms combining both lattices. The band structure of these systems are made of a combination of dispersive and flat bands. The dispersive bands possess Dirac cones (linear dispersion) at the six corners (K points) of the Brillouin zone although in peculiar cases Dirac cones at the center of the zone (Γ point) appear. The flat bands can be of different nature. Most of them are tangent to the dispersive bands at the center of the zone but some, for symmetry reasons, do not hybridize with other states. The objective of our work is to provide an analysis of a wide class of so-called ligand-decorated honeycomb Kagome lattices that are observed in a 2D metal-organic framework where the ligand occupy honeycomb sites and the metallic atoms the Kagome sites. We show that the p x -p y graphene model is relevant in these systems and there exists four types of flat bands: Kagome flat (singly degenerate) bands, two kinds of ligand-centered flat bands (A2 like and E like, respectively doubly and singly degenerate) and metal-centered (three fold degenerate) flat bands.

Theoretical investigation of the thermodynamic properties of metallic thin films

International Nuclear Information System (INIS)

Hung, Vu Van; Phuong, Duong Dai; Hoa, Nguyen Thi; Hieu, Ho Khac

2015-01-01

The thermodynamic properties of metallic thin films with face-centered cubic structure at ambient conditions were investigated using the statistical moment method including the anharmonicity effects of thermal lattice vibrations. The analytical expressions of Helmholtz free energy, lattice parameter, linear thermal expansion coefficient, specific heats at the constant volume and constant pressure were derived in terms of the power moments of the atomic displacements. Numerical calculations of thermodynamic properties have been performed for Au and Al thin films and compared with those of bulk metals. This research proposes that thermodynamic quantities of thin films approach the values of bulk when the thickness of thin film is about 70 nm. - Highlights: • Thermodynamic properties of thin films were investigated using the moment method. • Expressions of Helmholtz energy, expansion coefficient, specific heats were derived. • Calculations for Au, Al thin films were performed and compared with those of bulks

Theoretical investigation of the thermodynamic properties of metallic thin films

Energy Technology Data Exchange (ETDEWEB)

Hung, Vu Van [Vietnam Education Publishing House, 81 Tran Hung Dao, Hanoi (Viet Nam); Phuong, Duong Dai [Hanoi National University of Education, 136 Xuan Thuy, Hanoi (Viet Nam); Hoa, Nguyen Thi [University of Transport and Communications, Lang Thuong, Dong Da, Hanoi (Viet Nam); Hieu, Ho Khac, E-mail: hieuhk@duytan.edu.vn [Institute of Research and Development, Duy Tan University, K7/25 Quang Trung, Danang (Viet Nam)

2015-05-29

The thermodynamic properties of metallic thin films with face-centered cubic structure at ambient conditions were investigated using the statistical moment method including the anharmonicity effects of thermal lattice vibrations. The analytical expressions of Helmholtz free energy, lattice parameter, linear thermal expansion coefficient, specific heats at the constant volume and constant pressure were derived in terms of the power moments of the atomic displacements. Numerical calculations of thermodynamic properties have been performed for Au and Al thin films and compared with those of bulk metals. This research proposes that thermodynamic quantities of thin films approach the values of bulk when the thickness of thin film is about 70 nm. - Highlights: • Thermodynamic properties of thin films were investigated using the moment method. • Expressions of Helmholtz energy, expansion coefficient, specific heats were derived. • Calculations for Au, Al thin films were performed and compared with those of bulks.

Plasma metallization

International Nuclear Information System (INIS)

Crowther, J.M.

1997-09-01

Many methods are currently used for the production of thin metal films. However, all of these have drawbacks associated with them, for example the need for UHV conditions, high temperatures, exotic metal precursors, or the inability to coat complex shaped objects. Reduction of supported metal salts by non-isothermal plasma treatment does not suffer from these drawbacks. In order to produce and analyse metal films before they become contaminated, a plasma chamber which could be attached directly to a UHV chamber with XPS capability was designed and built. This allowed plasma treatment of supported metal salts and surface analysis by XPS to be performed without exposure of the metal film to the atmosphere. Non-equilibrium plasma treatment of Nylon 66 supported gold(lll) chloride using hydrogen as the feed gas resulted in a 95% pure gold film, the remaining 5% of the film being carbon. If argon or helium were used as the feed gases during plasma treatment the resultant gold films were 100% pure. Some degree of surface contamination of the films due to plasma treatment was observed but was easily removed by argon ion cleaning. Hydrogen plasma reduction of glass supported silver(l) nitrate and palladium(ll) acetate films reveals that this metallization technique is applicable to a wide variety of metal salts and supports, and has also shown the ability of plasma reduction to retain the complex 'fern-like' structures seen for spin coated silver(l) nitrate layers. Some metal salts are susceptible to decomposition by X-rays. The reduction of Nylon 66 supported gold(lll) chloride films by soft X-rays to produce nanoscopic gold particles has been studied. The spontaneous reduction of these X-ray irradiated support gold(lll) chloride films on exposure to the atmosphere to produce gold rich metallic films has also been reported. (author)

Manganese(II), iron(II), and mixed-metal metal-organic frameworks based on chains with mixed carboxylate and azide bridges: magnetic coupling and slow relaxation.

Science.gov (United States)

Wang, Yan-Qin; Yue, Qi; Qi, Yan; Wang, Kun; Sun, Qian; Gao, En-Qing

2013-04-15

Mn(II) and Fe(II) compounds derived from azide and the zwitterionic 1-carboxylatomethylpyridinium-4-carboxylate ligand are isomorphous three-dimensional metal-organic frameworks (MOFs) with the sra net, in which the metal ions are connected into anionic chains by mixed (μ-1,1-azide)bis(μ-carboxylate) triple bridges and the chains are cross-linked by the cationic backbones of the zwitterionic ligands. The Mn(II) MOFs display typical one-dimensional antiferromagnetic behavior. In contrast, with one more d electron per metal center, the Fe(II) counterpart shows intrachain ferromagnetic interactions and slow relaxation of magnetization attributable to the single-chain components. The activation energies for magnetization reversal in the infinite- and finite-chain regimes are Δτ1 = 154 K and Δτ2 = 124 K, respectively. Taking advantage of the isomorphism between the Mn(II) and Fe(II) MOFs, we have prepared a series of mixed-metal Mn(II)(1-x)Fe(II)(x) MOFs with x = 0.41, 0.63, and 0.76, which intrinsically feature random isotropic/anisotropic sites and competing antiferromagnetic-ferromagnetic interactions. The materials show a gradual antiferromagnetic-to-ferromagnetic evolution in overall behaviors as the Fe(II) content increases, and the Fe-rich materials show complex relaxation processes that may arise for mixed SCM and spin-glass mechanisms. A general trend is that the activation energy and the blocking temperature increase with the Fe(II) content, emphasizing the importance of anisotropy for slow relaxation of magnetization.

‘… a metal conducts and a non-metal doesn't’

Science.gov (United States)

Edwards, P. P.; Lodge, M. T. J.; Hensel, F.; Redmer, R.

2010-01-01

In a letter to one of the authors, Sir Nevill Mott, then in his tenth decade, highlighted the fact that the statement ‘… a metal conducts, and a non-metal doesn’t’ can be true only at the absolute zero of temperature, T=0 K. But, of course, experimental studies of metals, non-metals and, indeed, the electronic and thermodynamic transition between these canonical states of matter must always occur above T=0 K, and, in many important cases, for temperatures far above the absolute zero. Here, we review the issues—theoretical and experimental—attendant on studies of the metal to non-metal transition in doped semiconductors at temperatures close to absolute zero (T=0.03 K) and fluid chemical elements at temperatures far above absolute zero (T>1000 K). We attempt to illustrate Mott’s insights for delving into such complex phenomena and experimental systems, finding intuitively the dominant features of the science, and developing a coherent picture of the different competing electronic processes. A particular emphasis is placed on the idea of a ‘Mott metal to non-metal transition’ in the nominally metallic chemical elements rubidium, caesium and mercury, and the converse metallization transition in the nominally non-metal elements hydrogen and oxygen. We also review major innovations by D. A. Goldhammer (Goldhammer 1913 Dispersion und absorption des lichtes) and K. F. Herzfeld (Herzfeld 1927 Phys. Rev. 29, 701–705. (doi:10.1103/PhysRev.29.701)) in a pre-quantum theory description of the metal–non-metal transition, which emphasize the pivotal role of atomic properties in dictating the metallic or non-metallic status of the chemical elements of the periodic table under ambient and extreme conditions; a link with Pauling’s ‘metallic orbital’ is also established here. PMID:20123742

The Production of Uranium Metal by Metal Hydrides Incorporated

Energy Technology Data Exchange (ETDEWEB)

Alexander, P. P.

1943-01-01

Metal Hydrides Incorporated was a pioneer in the production of uranium metal on a commercial scale and supplied it to all the laboratories interested in the original research, before other methods for its production were developed. Metal Hydrides Inc. supplied the major part of the metal for the construction of the first experimental pile which, on December 2, 1942, demonstrated the feasibility of the self-sustaining chain reaction and the release of atomic energy.

Applicability of fiber model in seismic response analysis for center-clamp type bushings on transformers

International Nuclear Information System (INIS)

Miyagawa, Yoshinori; Sato, Hiroaki

2015-01-01

A bushing is a device for insulation and support of a conductor. Especially it is called center-clamp type when it is connected with a metal holder through clamping force. As a consequence of damage of center-clamp type bushings in Tohoku Earthquake in 2011, refinement of the response analysis method and review of the seismic design procedure became necessary. In the present report, the fiber model, which can evaluate non-linear behavior in the section subjected to axial force and bending moment, was implemented to the CRIEPI's finite element analysis program 'Mastrd' considering following characteristics of center-clamp type bushings. a) The gasket section between a porcelain tube and a metal holder has a torus shape. b) Springs around the top of the bushing give clamping force, but they lock in excessive base rotation. c) The gasket does not resist against tension. d) Local resistance against compression due to bending increases in use of very thin gaskets. The developed program was verified through comparison with the shaking table test result for real bushings whose voltage classes were 154 kV and 275 kV. Deformation indices as rotation angle and base opening due to bending were influenced by damping conditions. Though there was not the condition which brought about remarkable underestimation, reduction of damping for a fiber model element was preferable for safety. On the other hand, bending moment was consistent with experimental results because it tended not to fluctuate in the non-linear region. (author)

Utility industry evaluation of the metal fuel facility and metal fuel performance for liquid metal reactors

International Nuclear Information System (INIS)

Burstein, S.; Gibbons, J.P.; High, M.D.; O'Boyle, D.R.; Pickens, T.A.; Pilmer, D.F.; Tomonto, J.R.; Weinberg, C.J.

1990-02-01

A team of utility industry representatives evaluated the liquid metal reactor metal fuel process and facility conceptual design being developed by Argonne National Laboratory (ANL) under Department of Energy sponsorship. The utility team concluded that a highly competent ANL team was making impressive progress in developing high performance advanced metal fuel and an economic processing and fabrication technology. The utility team concluded that the potential benefits of advanced metal fuel justified the development program, but that, at this early stage, there are considerable uncertainties in predicting the net overall economic benefit of metal fuel. Specific comments and recommendations are provided as a contribution towards enhancing the development program. 6 refs

π-face donation from the aromatic N-substituent of N-heterocyclic carbene ligands to metal and its role in catalysis

KAUST Repository

Credendino, Raffaele; Falivene, Laura; Cavallo, Luigi

2012-01-01

excellently correlate with the experimental ΔE 1/2 potentials, offering a handle to rationalize the experimental findings. Analysis of the HOMO of the complexes before oxidation suggests that electron-donating Y groups destabilize the metal centered HOMO

Predicting Metal Speciation & Bioavailability via Estimation of Metal-Organic Thermodynamic Properties

Science.gov (United States)

Prasad, A.; Howells, A. E.; Shock, E.

2017-12-01

The biological fate of any metal depends on its chemical form in the environment. Arsenic for example, is extremely toxic in the form of inorganic As+3 but completely benign in the organic form of arsenobetaine. Thus, given an exhaustive set of reactions and their equilibrium constants (logK), the bioavailability of any metal can be obtained for blood plasma, hydrothermal fluids or any system of interest. While many data exist for metal-inorganic ligands, logK data covering the temperature range of life for metal-organic complexes are sparse. Hence, we decided to estimate metal-organic logK values from correlations with the commonly available values of ligand pKa. Metal ion specific correlations were made with ligands classified according to their electron donor atoms, denticity and other chemical factors. While this approach has been employed before (Carbonaro et al. 2007, GCA 71, 3958-3968), new correlations were developed that provide estimates even when no metal-organic logK is available. In addition, we have used the same methods to make estimates of metal-organic entropy of association (ΔaS), which can provide logK for any temperature of biological relevance. Our current correlations employ logK and ΔaS data from 30 metal ions (like the biologically relevant Fe+3 & Zn+2) and 74 ligands (like formate and ethylenediamine), which can be expanded to estimate the metal-ligand reaction properties for these 30 metal ions with a possibly limitless number of ligands that may belong to our categories of ligands. With the help of such data, copper speciation was obtained for a defined growth medium for methanotrophs employed by Morton et al. (2000, AEM 66, 1730-1733) that agrees with experimental measurements showing that the free metal ion may not be the bioavailable form in all conditions. These results encourage us to keep filling the gaps in metal-organic logK data and continue finding relationships between biological responses (like metal-accumulation ratios

Modeling Adsorption Based Filters (Bio-remediation of Heavy Metal Contaminated Water)

Science.gov (United States)

McCarthy, Chris

I will discuss kinetic models of adsorption, as well as models of filters based on those mechanisms. These mathematical models have been developed in support of our interdisciplinary lab group, which is centered at BMCC/CUNY (City University of New York). Our group conducts research into bio-remediation of heavy metal contaminated water via filtration. The filters are constructed out of biomass, such as spent tea leaves. The spent tea leaves are available in large quantities as a result of the industrial production of tea beverages. The heavy metals bond with the surfaces of the tea leaves (adsorption). The models involve differential equations, stochastic methods, and recursive functions. I will compare the models' predictions to data obtained from computer simulations and experimentally by our lab group. Funding: CUNY Collaborative Incentive Research Grant (Round 12); CUNY Research Scholars Program.

The correlation between acoustic and magnetic properties in the long working metal boiler drum with the parameters of the electron microscope

Energy Technology Data Exchange (ETDEWEB)

Ababkov, Nikolai, E-mail: n.ababkov@rambler.ru; Smirnov, Alexander, E-mail: galvas.kem@gmail.com [T.F. Gorbachev Kuzbass State Technical University, Vesennjaja str 28, Kemerovo, 650000 Russian Federation (Russian Federation)

2016-01-15

The present paper presents comparative analysis of measurement results of acoustic and magnetic properties in long working metal of boiler drums and the results obtained by methods of electronic microscopy. The structure of the metal sample from the fracture zone to the base metal (metal working sample long) and the center of the base metal before welding (weld metal sample) was investigated by electron microscopy. Studies performed by spectral acoustic, magnetic noise and electron microscopic methods were conducted on the same plots and the same samples of long working and weld metal of high-pressure boiler drums. The analysis of research results showed high sensitivity of spectral-acoustic and magnetic-noise methods to definition changes of microstructure parameters. Practical application of spectral-acoustic and magnetic noise NDT method is possible for the detection of irregularities and changes in structural and phase state of the long working and weld metal of boiler drums, made of a special molybdenum steel (such as 20M). The above technique can be used to evaluate the structure and physical-mechanical properties of the long working metal of boiler drums in the energy sector.

Evaluation of heavy metals in the process of composting organic waste of coca leaves

Directory of Open Access Journals (Sweden)

Apaza-Condori Emma Eva

2015-11-01

Full Text Available The present study is to evaluate the total concentrations of the heavy metals in waste compost samples from coca leaf. This work was carried out Kallutaca Experimental Center, Biofertilizers module Career Agricultural Engineering at the Public University of El Alto, La Paz municipality of Laja. Posed treatments were: T1 (+ Yogurt Coca wastes; T2 (Coca wastes + whey; T3 (Coca wastes + yeast and T4 (Control. The design was completely randomized with 4 treatments and 3 repetitions. The concentration of heavy metals (cadmium, copper, nickel, lead, mercury and chromium; they were categorized into Class A, for the four treatments according to the classifications established by Moreno & Moral (2008.

Pressure-induced magnetic collapse and metallization of molecular oxygen: The ζ-O2 phase

International Nuclear Information System (INIS)

Serra, S.; Chiarotti, G.; Scandolo, S.; Tosatti, E.

1998-01-01

The behavior of solid oxygen in the pressure range between 5-116 GPa is studied by ab-initio simulations, showing a spontaneous phase transformation from the antiferromagnetic insulating δ-O 2 phase to a non-magnetic, metallic molecular phase. The calculated static structure factor of this phase is in excellent agreement with X-ray diffraction data in the metallic ζ-O 2 phase above 96 GPa. We thus propose that ζ-O 2 should be base centered monoclinic with space group C2/m and 4 molecules per cell, suggesting a re-indexing of the experimental diffraction peaks. Physical constraints on the intermediate-pressure ε - O 2 phase are also obtained. (author)

Ionothermal Synthesis and Magnetic Studies of Novel Two-Dimensional Metal-Formate Frameworks

International Nuclear Information System (INIS)

Calderone, P.; Feygenson, M.; Forster, P.M.; Borkowski, L.A.; Teat, S.J.; Aronson, M.C.; Parise, J.B.

2011-01-01

Five novel two-dimensional frameworks containing formate-bridged metal-centered octahedra are synthesized ionothermally from two ionic liquids previously unused as solvents in hybrid synthesis, 2-hydroxyethylammonium (HEA) formate, and 1-hydroxy-3-proplyammonium (HPA) formate. Templating effects of the cation from each ionic liquid drive the formation of different structures. [NH 3 C 2 H 4 OH] 2 [M(CHO 2 ) 4 ] (1: M = Co, 2: M = Ni) exhibit the same stoichiometry and connectivity as their manganese analogue (3: M = Mn), but the manganese form exhibits a different topology from 1 and 2. [NH 3 C 3 H6OH][M(CHO 2 ) 3 (H 2 O)] (4: M = Co, 5: M = Mn) were synthesized using the HPA formate ionic liquid with a metal-formate connectivity related to those of 1-3. Canted antiferromagnetic ordering occurs at low temperatures (1: T N = 7.0 K, 2: T N = 4.6 K, 3: T N = 8.0 K, 4: T N = 7.0 K, 5: T N = 9.2 K), similar to the magnetic properties previously reported for other metal-formate hybrid materials.

Creation of near-infrared emitting optical center related to nickel–silicon impurity complex in nanodiamond grains

International Nuclear Information System (INIS)

Tóth, S.; Himics, L.; Koós, M.

2016-01-01

Nanodiamond grains having intensive light emission in the near-infrared region even at room temperature carry an important application potential. Advantages of light emitting optical centers formed in nanodiamond grains are the emission concentrated into a narrow band and that they are mostly single photon emitter. Transition metal related impurity centers formed in nanodiamond grains exhibit these favorable properties. In this work we report on the creation of Ni–Si impurity related complex defect center in nanodiamond grains under microwave plasma assisted chemical vapor deposition (MW CVD) growth process. This complex center accounts for the previously undocumented fluorescence system with zero phonon line (ZPL) emission at 865 nm (1.433 eV) and band width of 1.5 nm (2.4 meV) at room temperature. By varying deposition conditions the Ni–Si impurity related complex defect center was formed in nanodiamond grains of 80–200 nm average sizes. Some variation of ZPL peak position and line width have been detected in nanodiamond grains prepared at different conditions, as well as in numerous nanodiamond grains prepared at the same conditions. The variations of local stress field may explain the spread of ZPL spectral parameters.

Creation of near-infrared emitting optical center related to nickel–silicon impurity complex in nanodiamond grains

Energy Technology Data Exchange (ETDEWEB)

Tóth, S., E-mail: toth.sara@wigner.mta.hu; Himics, L.; Koós, M.

2016-08-15

Nanodiamond grains having intensive light emission in the near-infrared region even at room temperature carry an important application potential. Advantages of light emitting optical centers formed in nanodiamond grains are the emission concentrated into a narrow band and that they are mostly single photon emitter. Transition metal related impurity centers formed in nanodiamond grains exhibit these favorable properties. In this work we report on the creation of Ni–Si impurity related complex defect center in nanodiamond grains under microwave plasma assisted chemical vapor deposition (MW CVD) growth process. This complex center accounts for the previously undocumented fluorescence system with zero phonon line (ZPL) emission at 865 nm (1.433 eV) and band width of 1.5 nm (2.4 meV) at room temperature. By varying deposition conditions the Ni–Si impurity related complex defect center was formed in nanodiamond grains of 80–200 nm average sizes. Some variation of ZPL peak position and line width have been detected in nanodiamond grains prepared at different conditions, as well as in numerous nanodiamond grains prepared at the same conditions. The variations of local stress field may explain the spread of ZPL spectral parameters.

Chemistry and physics at liquid alkali metal/solid metal interfaces

International Nuclear Information System (INIS)

Barker, M.G.

1977-01-01

This paper describes the chemistry of processes which take place at the interface between liquid alkali metals and solid metal surfaces. A brief review of wetting data for liquid sodium is given and the significance of critical wetting temperatures discussed on the basis of an oxide-film reduction mechanism. The reactions of metal oxides with liquid metals are outlined and a correlation with wetting data established. The transfer of dissolved species from the liquid metal across the interface to form solid phases on the solid metal surface is well recognised. The principal features of such processes are described and a simple thermodynamic explanation is outlined. The reverse process, the removal of solid material into solution, is also considered. (author)

Flexible Reactive Berm (FRBerm) for Removal of Heavy Metals from Runoff Water

Science.gov (United States)

2016-10-01

socks used in the construction industry with an additional metal-sorbing amendment added to the sand. The results of treatability testing are presented...reactive filter barrier should be placed immediately behind the cement target trough. For maintenance of the center range, the layer closest to the hill...using oxides – A review. Environmental Pollution, 172, 9-22. Larson, S., B. Tardy, M. Beverly, A. Hearn, M. Thompson, and G. Williams. 2004. Topical

Copper Disk Manufactured at the Space Optics Manufacturing and Technology Center

Science.gov (United States)

2001-01-01

This photograph shows Wes Brown, Marshall Space Flight Center's (MSFC's) lead diamond tuner, an expert in the science of using diamond-tipped tools to cut metal, inspecting the mold's physical characteristics to ensure the uniformity of its more than 6,000 grooves. This king-size copper disk, manufactured at the Space Optics Manufacturing and Technology Center (SOMTC) at MSFC, is a special mold for making high resolution monitor screens. This master mold will be used to make several other molds, each capable of forming hundreds of screens that have a type of lens called a fresnel lens. Weighing much less than conventional optics, fresnel lenses have multiple concentric grooves, each formed to a precise angle, that together create the curvature needed to focus and project images. The MSFC leads NASA's space optics manufacturing technology development as a technology leader for diamond turning. The machine used to manufacture this mold is among many one-of-a-kind pieces of equipment of MSFC's SOMTC.

Microfocus study of metal distribution and speciation in tissue extracted from revised metal on metal hip implants

Energy Technology Data Exchange (ETDEWEB)

Hart, Alister J [Department of Orthopaedic Surgery, Imperial College and Imperial College Healthcare NHS Trust, Charing Cross Hospital Campus, Fulham Palace Rd, London W6 8RF (United Kingdom); Sandison, Ann [Department of Histopathology, Imperial College and Imperial College Healthcare NHS Trust, Charing Cross Hospital Campus, Fulham Palace Rd, London W6 8RF (United Kingdom); Quinn, Paul; Mosselmans, J Frederick W [Science Division, Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxon, OX11 0DE (United Kingdom); Sampson, Barry [Department of Clinical Biochemistry, Imperial College and Imperial College Healthcare NHS Trust, Charing Cross Hospital Campus, Fulham Palace Rd, London W6 8RF (United Kingdom); Atkinson, Kirk D [8 Nuclear Department Defence Academy College of Management and Technology HMS Sultan Military Road Gosport PO12 3BY (United Kingdom); Skinner, John A [Department of Orthopaedics, Royal National Orthopaedic Hospital, HA7 4LP (United Kingdom); Goode, Angela [Dept of Materials, Imperial College London, SW7 2AZ (United Kingdom); Powell, Jonathan J, E-mail: Paul.Quinn@diamond.ac.u [Medical Research Council Human Nutrition Research Centre, Cambridge CB1 9NL (United Kingdom)

2009-11-15

Unexplained tissue inflammation in metal-on-metal hip replacements is suspected to be caused by implant-derived nanoparticles. The aim of this study was to investigate the nature of the metal particles in tissue surrounding metal-on-metal (MOM) hips that has been extracted during revision. Mapping of tissue surrounding the failed MOM hips was performed using microfocus X-ray Fluorescence (XRF). This revealed mainly Cr which was localized to the cellular regions. There was co-localisation of Co, were present, to areas of high Cr abundance. XANES of the tissue and appropriate standards revealed that the most common species were Cr(III) and Co(II). EXAFS analysis of the tissue and various metal standards revealed that the most abundant implant-related species was Cr(III) phosphate. Different tissue preparation methods, including frozen sectioning, were examined but were found not to affect the distribution or speciation of the metals in the tissue.

Microfocus study of metal distribution and speciation in tissue extracted from revised metal on metal hip implants

International Nuclear Information System (INIS)

Hart, Alister J; Sandison, Ann; Quinn, Paul; Mosselmans, J Frederick W; Sampson, Barry; Atkinson, Kirk D; Skinner, John A; Goode, Angela; Powell, Jonathan J

2009-01-01

Unexplained tissue inflammation in metal-on-metal hip replacements is suspected to be caused by implant-derived nanoparticles. The aim of this study was to investigate the nature of the metal particles in tissue surrounding metal-on-metal (MOM) hips that has been extracted during revision. Mapping of tissue surrounding the failed MOM hips was performed using microfocus X-ray Fluorescence (XRF). This revealed mainly Cr which was localized to the cellular regions. There was co-localisation of Co, were present, to areas of high Cr abundance. XANES of the tissue and appropriate standards revealed that the most common species were Cr(III) and Co(II). EXAFS analysis of the tissue and various metal standards revealed that the most abundant implant-related species was Cr(III) phosphate. Different tissue preparation methods, including frozen sectioning, were examined but were found not to affect the distribution or speciation of the metals in the tissue.

Amorphous metal composites

International Nuclear Information System (INIS)

Byrne, M.A.; Lupinski, J.H.

1984-01-01

This patent discloses an improved amorphous metal composite and process of making the composite. The amorphous metal composite comprises amorphous metal (e.g. iron) and a low molecular weight thermosetting polymer binder. The process comprises placing an amorphous metal in particulate form and a thermosetting polymer binder powder into a container, mixing these materials, and applying heat and pressure to convert the mixture into an amorphous metal composite

Semi-metallic polymers

DEFF Research Database (Denmark)

Bubnova, Olga; Khan, Zia Ullah; Wang, Hui

2014-01-01

Polymers are lightweight, flexible, solution-processable materials that are promising for low-cost printed electronics as well as for mass-produced and large-area applications. Previous studies demonstrated that they can possess insulating, semiconducting or metallic properties; here we report...... that polymers can also be semi-metallic. Semi-metals, exemplified by bismuth, graphite and telluride alloys, have no energy bandgap and a very low density of states at the Fermi level. Furthermore, they typically have a higher Seebeck coefficient and lower thermal conductivities compared with metals, thus being...... a Fermi glass to a semi-metal. The high Seebeck value, the metallic conductivity at room temperature and the absence of unpaired electron spins makes polymer semi-metals attractive for thermoelectrics and spintronics....

Crystallochemistry of rhenium compounds with metal-metal bonds

International Nuclear Information System (INIS)

Koz'min, P.A.; Surazhskaya, M.D.

1980-01-01

A review is presented including a brief description of atomic structure of 59 coordination rhenium compounds with metal-metal bond. The most important bond lengths and valent angles are presented for each compound. The dependence of rhenium-rhenium bond length on its multiplicity is discussed and possible causes of deviations from this dependence (namely, axial ligand presence, steric repulsion of ligands) are considered. On the basis of qualitative comparison of electronegativity of ligands in dimer compounds with quarternary bond of rhenium-rhenium a supposition is made on the influence of formal charge of atomic group and summary electro-negativity of ligands on the possibility of the metal-metal bond formation

Magnetic resonance imaging of metal artifact reduction sequences in the assessment of metal-on-metal hip prostheses

Directory of Open Access Journals (Sweden)

Aboelmagd SM

2014-05-01

Full Text Available Sharief M Aboelmagd, Paul N Malcolm, Andoni P Toms Department of Radiology, Norfolk and Norwich University Hospital National Health Service Trust, Norwich, UK Abstract: Recent developments in metal artifact reduction techniques in magnetic resonance (MR have, in large part, been stimulated by the advent of soft tissue complications associated with modern metal-on-metal total hip replacements. Metallic orthopedic implants can result in severe degradation of MR images because ferromagnetic susceptibility causes signal loss, signal pile-up, geometric distortion, and failure of fat suppression. There are several approaches to controlling these susceptibility artifacts. Standard fast spin echo sequences can be adapted by modifying echo times, matrix, receiver bandwidth, slice thickness, and echo trains to minimize frequency encoding misregistration. Short tau inversion recovery and 2-point Dixon techniques are both more resistant to susceptibility artifacts than spectral fat suppression. A number of dedicated metal artifact reduction sequences are now available commercially. The common approach of these multispectral techniques is to generate three dimensional datasets from which the final images are reconstructed. Frequency encoding misregistration is controlled using a variety of techniques, including specific resonant frequency acquisition, view-angle tilting, and phase encoding. Metal artifact reduction MR imaging has been the key to understanding the prevalence, severity, and prognosis of adverse reactions to metal debris in metal-on-metal hip replacements. Conventional radiographs are typically normal or demonstrate minimal change and are unable to demonstrate the often extensive soft tissue abnormalities, which include necrosis, soft tissue masses and fluid collections, myositis, muscle atrophy, tendon avulsions, and osteonecrosis. These MR findings correlate poorly with clinical and serological measures of disease, and therefore MR imaging is

Geochemical disturbance of soil cover in the nonferrous mining centers of the Selenga River basin.

Science.gov (United States)

Timofeev, Ivan V; Kosheleva, Natalia E

2017-08-01

The anthropogenic geochemical transformation of soil cover in large nonferrous mining centers of the Selenga River basin was assessed. The results of the geochemical survey of 2010-2012 revealed the spatial distribution patterns and abundances of 18 hazardous heavy metals and metalloids in the soils of Erdenet (Mongolia) and Zakamensk (Buryat republic, Russian Federation). In both cities, mining activities disturbed soil cover which accumulates Mo, Cu, As, Sb, W in Erdenet and Bi, W, Cd, Be, Pb, Mo, Sb in Zakamensk. Maximum accumulation of elements in Erdenet is restricted to the industrial zone. In Zakamensk, it has spread on ½ of the territory with the degree of multielemental pollution exceeding the extremely dangerous level by 16 times. The effect of mining centers on the state of the river system is local and does not spread to the Selenga River. Downstream from Erdenet, an artificial pool intercepts heavy metal and metalloid flows of the Erdenetii-Gol River. By contrast, downstream from the tailing dumps of the Dzhida tungsten-molybdenum plant the concentrations of ore elements W and Mo and their accessories Bi and Cd in the Modonkul River exceed background values by 146, 20, 57, and 21 times, respectively, decreasing by an order of magnitude 30 km downstream.

Thin films of metal-organic compounds and metal nanoparticle

Indian Academy of Sciences (India)

Thin films of metal-organic compounds and metal nanoparticle-embedded polymers for nonlinear optical applications. S Philip Anthony Shatabdi Porel D ... Thin films based on two very different metal-organic systems are developed and some nonlinear optical applications are explored. A family of zinc complexes which ...

Recycle and reuse of radioactive scrap metals within the department of energy

International Nuclear Information System (INIS)

Adams, V.; Murphie, W.; Gresalfi, M.

2000-01-01

The United States Department of Energy (DOE) National Center of Excellence for Metals Recycle (NMR) is pursuing recycle and reuse alternatives to burial of radioactive scrap metal. This approach is being implemented in a safe and environmentally sound manner, while significantly lowering dis-positioning cost and accelerating cleanup activities. This paper will define the NMR's success to date in promoting safe and cost effective recycle and reuse strategies for DOE's excess metals, through the use of case studies. The paper will also present actual volumes of metal moved by DOE into restricted and unrestricted uses since 1997. In addition, this paper will discuss the principle underlying the Three Building Decommissioning and Decontamination (D and D) Project in Oak Ridge, Tennessee. In January 2000, the Secretary of Energy placed a moratorium on the unrestricted release of volumetrically contaminated metals from the DOE sites. Pursuant to that moratorium, the Secretary also established a ''Re-Use and Recycling Task Force'' to conduct a review of DOE policies regarding the management and release of all materials for recycle and reuse from DOE facilities. This task force was charged to develop a set of recommendations to ensure the protection of public health and the environment, openness and public trust, and fiscal responsibility. This paper will present an overview of the DOE's present range of recycle and reuse alternatives to disposal, as practiced by the NMR, and discuss the policy and issues associated with the task force mission. (authors)

Improved oxidation resistance of group VB refractory metals by Al+ ion implantation

International Nuclear Information System (INIS)

Hampikian, J.M.

1996-01-01

Aluminum ion implantation of vanadium, niobium, and tantalum improved the metals' oxidation resistances at 500 C and 735 C. Implanted vanadium oxidized only to one-third the extent of unimplanted vanadium when exposed at 500 C to air. The oxidative weight gains of implanted niobium and tantalum proved negligible when measured at 500 C and for times sufficient to fully convert the untreated metals to their pentoxides. At 735 C, implantation of vanadium only slightly retarded its oxidation, while oxidative weight gains of niobium and tantalum were reduced by factors of 3 or more. Implanted niobium exhibited weight gain in direct proportion to oxidation time squared at 735 C. Microstructural examination of the metals implanted with selected fluences of the 180 kV aluminum ions showed the following. The solubility limit of aluminum is extended by implantation, the body centered cubic (bcc) phases being retained to ∼60 at. pct Al in all three metals. The highest fluence investigated, 2.4 x 10 22 ions/m 2 , produced an ∼400-nm layer of VAl 3 beneath the surface of vanadium, and ∼300-nm layers of an amorphous phase containing ∼70 at. pct Al beneath the niobium and tantalum surfaces. All three metals, implanted to this fluence and annealed at 600 C, contained tri-aluminides, intermetallic compounds known for their oxidation resistances. Specimens implanted to this fluence were thus selected for the oxidation measurements

The tribology of metal-on-metal total hip replacements.

Science.gov (United States)

Scholes, S C; Unsworth, A

2006-02-01

Total hip surgery is an effective way of alleviating the pain and discomfort caused by diseased or damaged joints. However, in the majority of cases, these joints have a finite life. The main reason for failure is osteolysis (bone resorption). It is well documented that an important cause of osteolysis, and therefore the subsequent loosening and failure of conventional metal- or ceramic-on-ultra-high molecular weight polyethylene joints, is the body's immunological response to the polyethylene wear particles. To avoid this, interest has been renewed in metal-on-metal joints. The intention of this paper is to review the studies that have taken place within different laboratories to determine the tribological performance of new-generation metal-on-metal total hip replacements. These types of joint offer a potential solution to enhance the longevity of prosthetic hip systems; however, problems may arise owing to the effects of metal ion release, which are, as yet, not fully understood.

Surface sediment chemistry in the Olympic Games 2004 Sailing Center (Saronikos Gulf

Directory of Open Access Journals (Sweden)

A.P. KARAGEORGIS

2003-06-01

Full Text Available Construction of the Olympic Games 2004 Sailing Center is planned in the Saronikos Gulf, in the area of Agios Kosmas. A multi-disciplinary base-line study was carried out to provide background levels of inorganic and organic pollutants before the construction. Two shallow reefs (water depth 2-3 m are the predominant features in the area’s underwater topography. The reef consists of solid rock formations and pebbles, whereas sandy sediments cover predominantly the remaining seabed. Some pockets of fine-grained sand were identified within the existing marina. Sedimentary heavy metal contents were found to be low, showing only slight heavy metal enrichment, attributed mainly to heavy mineral abundance in the area. A small enrichment for lead could be related to anthropogenic sources. Patterns of low concentrations were observed for organic carbon and organic nitrogen. Conversely, the sediment petroleum hydrocarbon content was found to be relatively high, implying anthropogenic pollution related to ship effluents and increased marine traffic.

Physically based multiscale-viscoplastic model for metals and steel alloys: Theory and computation

Science.gov (United States)

Abed, Farid H.

The main requirement of large deformation problems such as high-speed machining, impact, and various primarily metal forming, is to develop constitutive relations which are widely applicable and capable of accounting for complex paths of deformation. Achieving such desirable goals for material like metals and steel alloys involves a comprehensive study of their microstructures and experimental observations under different loading conditions. In general, metal structures display a strong rate- and temperature-dependence when deformed non-uniformly into the inelastic range. This effect has important implications for an increasing number of applications in structural and engineering mechanics. The mechanical behavior of these applications cannot be characterized by classical (rate-independent) continuum theories because they incorporate no 'material length scales'. It is therefore necessary to develop a rate-dependent (viscoplasticity) continuum theory bridging the gap between the classical continuum theories and the microstructure simulations. Physically based vicoplasticity models for different types of metals (body centered cubic, face centered cubic and hexagonal close-packed) and steel alloys are derived in this work for this purpose. We adopt a multi-scale, hierarchical thermodynamic consistent framework to construct the material constitutive relations for the rate-dependent behavior. The concept of thermal activation energy, dislocations interactions mechanisms and the role of dislocations dynamics in crystals are used in the derivation process taking into consideration the contribution of the plastic strain evolution of dislocation density to the flow stress of polycrystalline metals. Material length scales are implicitly introduced into the governing equations through material rate-dependency (viscosity). The proposed framework is implemented into the commercially well-known finite element software ABAQUS. The finite element simulations of material

Silicone metalization

Energy Technology Data Exchange (ETDEWEB)

Maghribi, Mariam N. (Livermore, CA); Krulevitch, Peter (Pleasanton, CA); Hamilton, Julie (Tracy, CA)

2008-12-09

A system for providing metal features on silicone comprising providing a silicone layer on a matrix and providing a metal layer on the silicone layer. An electronic apparatus can be produced by the system. The electronic apparatus comprises a silicone body and metal features on the silicone body that provide an electronic device.

Importance of semicore states in GW calculations for simulating accurately the photoemission spectra of metal phthalocyanine molecules.

Science.gov (United States)

Umari, P; Fabris, S

2012-05-07

The quasi-particle energy levels of the Zn-Phthalocyanine (ZnPc) molecule calculated with the GW approximation are shown to depend sensitively on the explicit description of the metal-center semicore states. We find that the calculated GW energy levels are in good agreement with the measured experimental photoemission spectra only when explicitly including the Zn 3s and 3p semicore states in the valence. The main origin of this effect is traced back to the exchange term in the self-energy GW approximation. Based on this finding, we propose a simplified approach for correcting GW calculations of metal phthalocyanine molecules that avoids the time-consuming explicit treatment of the metal semicore states. Our method allows for speeding up the calculations without compromising the accuracy of the computed spectra.

Implantation and Stability of Metallic Fiducials Within Pulmonary Lesions

International Nuclear Information System (INIS)

Kupelian, Patrick A.; Forbes, Alan; Willoughby, Twyla R. M.S.; Wallace, Karen; Manon, Rafael R.; Meeks, Sanford L.; Herrera, Luis; Johnston, Alan; Herran, Juan J.

2007-01-01

Purpose: To report and describe implantation techniques and stability of metallic fiducials in lung lesions to be treated with external beam radiotherapy. Methods and Materials: Patients undergoing radiation therapy for small early-stage lung cancer underwent implantation with small metallic markers. Implantation was either transcutaneous under computed tomographic (CT) or fluoroscopic guidance or transbronchial with the superDimension/Bronchus system (radiofrequency signal-based bronchoscopy guidance related to CT images). Results: Implantation was performed transcutaneously in 15 patients and transbronchially in 8 patients. Pneumothorax occurred with eight of the 15 transcutaneous implants, six of which required chest tube placement. None of the patients who underwent transbronchial implantation developed pneumothorax. Successfully inserted markers were all usable during gated image-guided radiotherapy. Marker stability was determined by observing the variation in gross target volume (GTV) centroid relative to the marker on repeated CT scans. Average three-dimensional variation in the GTV center relative to the marker was 2.6 ± 1.3 (SD) mm, and the largest variation along any anatomic axis for any patient was <5 mm. Average GTV volume decrease during the observation period was 34% ± 23%. Gross tumor volumes do not appear to shrink uniformly about the center of the tumor, but rather the tumor shapes deform substantially throughout treatment. Conclusions: Transbronchial marker placement is less invasive than transcutaneous placement, which is associated with high pneumothorax rates. Although marker geometry can be affected by tumor shrinkage, implanted markers are stable within tumors throughout the treatment duration regardless of implantation method

Nuclear safety research collaborations between the U.S. and Russian Federation International Nuclear Safety Centers

International Nuclear Information System (INIS)

Hill, D. J.; Braun, J. C.; Klickman, A. E.; Bougaenko, S. E.; Kabonov, L. P.; Kraev, A. G.

2000-01-01

The Russian Federation Ministry for Atomic Energy (MINATOM) and the US Department of Energy (USDOE) have formed International Nuclear Safety Centers to collaborate on nuclear safety research. USDOE established the US Center (ISINSC) at Argonne National Laboratory (ANL) in October 1995. MINATOM established the Russian Center (RINSC) at the Research and Development Institute of Power Engineering (RDIPE) in Moscow in July 1996. In April 1998 the Russian center became a semi-independent, autonomous organization under MINATOM. The goals of the center are to: Cooperate in the development of technologies associated with nuclear safety in nuclear power engineering; Be international centers for the collection of information important for safety and technical improvements in nuclear power engineering; and Maintain a base for fundamental knowledge needed to design nuclear reactors. The strategic approach is being used to accomplish these goals is for the two centers to work together to use the resources and the talents of the scientists associated with the US Center and the Russian Center to do collaborative research to improve the safety of Russian-designed nuclear reactors. The two centers started conducting joint research and development projects in January 1997. Since that time the following ten joint projects have been initiated: INSC databases--web server and computing center; Coupled codes--Neutronic and thermal-hydraulic; Severe accident management for Soviet-designed reactors; Transient management and advanced control; Survey of relevant nuclear safety research facilities in the Russian Federation; Computer code validation for transient analysis of VVER and RBMK reactors; Advanced structural analysis; Development of a nuclear safety research and development plan for MINATOM; Properties and applications of heavy liquid metal coolants; and Material properties measurement and assessment. Currently, there is activity in eight of these projects. Details on each of these

Investigation of machining damage and tool wear resulting from drilling powder metal aluminum alloy

Energy Technology Data Exchange (ETDEWEB)

Fell, H.A. [Lockheed Martin Energy Systems, Inc., Oak Ridge, TN (United States)

1997-05-01

This report documents the cutting of aluminum powder metallurgy (PM) parts for the North Carolina Manufacturing Extension Partnership. The parts, an aluminum powder metal formulation, were supplied by Sinter Metals Inc., of Conover, North Carolina. The intended use of the alloy is for automotive components. Machining tests were conducted at Y-12 in the machine shop of the Skills Demonstration Center in Building 9737. Testing was done on June 2 and June 3, 1997. The powder metal alloy tested is very abrasive and tends to wear craters and produce erosion effects on the chip washed face of the drills used. It also resulted in huge amounts of flank wear and degraded performance on the part of most drills. Anti-wear coatings on drills seemed to have an effect. Drills with the coating showed less wear for the same amount of cutting. The usefulness of coolants and lubricants in reducing tool wear and chipping/breakout was not investigated.

Formation of H a - hydrogen centers upon additive coloration of alkaline-earth fluoride crystals

Science.gov (United States)

Radzhabov, E. A.; Egranov, A. V.; Shendrik, R. Yu.

2017-06-01

The mechanism of coloration of alkaline-earth fluoride crystals CaF2, SrF2, and BaF2 in calcium vapors in an autoclave with a cold zone is studied. It was found that the pressure in the autoclave upon constant evacuation by a vacuum pump within the temperature range of 500-800°C increases due to evaporation of metal calcium. In addition to the optical-absorption bands of color centers in the additively colored undoped crystals or to the bands of divalent ions in the crystals doped with rare-earth Sm, Yb, and Tm elements, there appear intense bands in the vacuum ultraviolet region at 7.7, 7.0, and 6.025 eV in CaF2, SrF2, and BaF2, respectively. These bands belong to the Ha - hydrogen centers. The formation of hydrogen centers is also confirmed by the appearance of the EPR signal of interstitial hydrogen atoms after X-ray irradiation of the additively colored crystals. Grinding of the outer edges of the colored crystals leads to a decrease in the hydrogen absorption-band intensity with depth to complete disappearance. The rate of hydrogen penetration inside the crystal is lower than the corresponding rate of color centers (anion vacancies) by a factor of tens. The visible color density of the outer regions of the hydrogen-containing crystals is several times lower than that of the inner region due to the competition between the color centers and hydrogen centers.

Metallation of protoporphyrins used as fluorescent chemo sensor for imidazole recognition

International Nuclear Information System (INIS)

Panpae, Kornvalai; Krikrutthee, Chaiwat; Porntaweethum, Phumthan; Weerachiwcharnchai, Panya; Chenwittayayos, Aekapoj

2008-01-01

Metalloporphyrin Complexes play significant roles in many biological and catalytic systems. The diversity of their functions is due in part to the variety of metals that bind in the pocket of the porphyrin ring system. Two kinds of metalloporphyrin derivatives, Cu (II) and Zn (II) protoporphyrins (PP) were microscale synthesized and characterized by spectroscopic methods and magnetic measurements. A PP ligand bound to each metal center in a tetradentate fashion including four amine nitrogen atoms in the equatorial planes. These complexes were found to recognize imidazolyl groups of histidine and histamine derivatives as guest molecules by coordination and additional non-covalent interactions. These added analytes displace the selective fluorescent indicator, which when released to the solution displays its full fluorescence. Thus, analyte recognition is signaled by the sharp appearance of the fluorescence of the indicators. The binding affinities to histidine and histamine were investigated and accounted for different complexation properties. Moreover, we demonstrated that careful choice of a fluorescent indicator with tuned affinity toward the receptor can provide discrimination in sensing of a desired substrate and the role that the metal coordination plays on the hypochromic shift and loss of fluorescence distincted characteristics of hypsoporphyrins were also discussed. (author)

The nonmetal-metal transition in solutions of metals in molten salts

International Nuclear Information System (INIS)

Tosi, M.P.

1997-04-01

Solutions of metals in molten salts present a rich phenomenology: localization of electrons in disordered ionic media, activated electron transport increasing with metal concentration towards a nonmetal-metal (NM-M) transition, and liquid-liquid phase separation. A brief review of progress in the study of these systems is given in this article, with main focus on the NM-M transition. After recalling the known NM-M behaviour of the component elements in the case of expanded fluid alkali metals and mercury and of solid halogens under pressure, the article focuses on liquid metal - molten salt solutions and traces the different NM-M behaviours of the alkalis in their halides and of metals added to polyvalent metal halides. (author). 51 refs, 2 figs

Architectural design criteria for f-block metal ion sequestering agents. 1998 annual progress report

International Nuclear Information System (INIS)

Dixon, D.A.; Hay, B.P.; Paine, R.T.; Raymond, K.N.; Rogers, R.D.; Roundhill, D.M.

1998-01-01

'The objective of this project is to provide a means to optimize ligand architecture for f-block metal recognition. The authors strategy builds on an innovative and successful molecular modeling approach in developing polyether ligand design criteria for the alkali and alkaline earth cations. The hypothesis underlying this proposal is that differences in metal ion binding with multidentate ligands bearing the same number and type of donor groups are primarily attributable to intramolecular steric factors. They propose quantifying these steric factors through the application of molecular mechanics models. The research involves close integration of theoretical and experimental chemistry. The experimental work entails synthesizing novel ligands and experimentally determining structures and binding constants for metal ion complexation by series of ligands in which architecture is systematically varied. The theoretical work entails using electronic structure calculations to parameterize a molecular mechanics force field for a range of metal ions and ligand types. The resulting molecular mechanics force field will be used to predict low energy structures for unidentate, bidentate, and multidentate ligands and their metal complexes through conformational searches. Results will be analyzed to assess the relative importance of several steric factors including optimal M-L length, optimal geometry at the metal center, optimal geometry at the donor atoms (complementarity), and conformation prior to binding (preorganization). An accurate set of criteria for the design of ligand architecture will be obtained from these results. These criteria will enable researchers to target ligand structures for synthesis and thereby dramatically reduce the time and cost associated with metal-specific ligand development.'

Near-infrared dichroism of a mesogenic transition metal complex and its solubility in nematic hosts

International Nuclear Information System (INIS)

Marshall, K.L.; Jacobs, S.D.

1987-01-01

A transition metal complex possessing the nematic phase, bis (p-n-butylstyryl-1, 2-dithiolato) nickel, was synthesized and its optical properties and solubility in the nematic hosts K15 and MBBA were investigated. The metal complex displayed a high solubility in both host materials (up to 10% wt/wt) and a strong near-infrared absorption band centered at 860 nm. A blocking extinction of greater than OD = 3 was obtained with a 100 micron pathlength of a 0.5% wt/wt mixture of the nematic metal complex in K15, suggesting its usefulness for passive blocking of near infrared radiation. A 24 micron thick, homogeneously aligned guest-host cell containing a 1% wt/wt mixture of the metal complex in K15 possessed a contrast ratio of nearly 5:1 and a blocking extinction of OD = 3.5 at 860 nm, demonstrating for the first time the existence of near-infrared dichroism in this class of materials. The solubility and blocking extinction of the mesogenic metal complex in K15 was considerably superior to the non-mesogenic near ir laser dye bis(dimethylaminodithiobenzil) nickel in the same host. An interaction of the nematic metal complex in mixtures with MBBA which resulted in the creation of a new absorption band at 1050 nm was also observed. 21 refs., 9 figs

Heavy metal movement in metal-contaminated soil profiles

Energy Technology Data Exchange (ETDEWEB)

Li, Zhenbin; Shuman, L.M. [Univ. of Georgia, Griffin, GA (United States)

1996-10-01

Heavy metal movement in soil profiles is a major environmental concern because even slow transport through the soil may eventually lead to deterioration of groundwater quality. In this study, three metal-contaminated soil (Fuquay, Dothan, and Clarendon) were selected from cropland were a high-metal flue dust had been applied annually for 6 years to raise soil pH, with application ending 4 years before sampling. One uncontaminated soil (Tifton) from the same physiographic area was also sampled as a control. Soil samples were collected in 15-cm increments from the surface to 105 cm in depth. Total contents of Zn, Cd, and Pb in the soils samples were determined. To better understand metal movement in relation to metal fractions in the soil profile, soil samples were also extracted sequentially for exchangeable (EXC), organic matter (OM), Mn oxide (MNO), amorphous Fe oxide (AFEO), crystalline Fe oxide (CFEO), and residual (RES) fractions. 35 refs., 6 figs., 2 tabs.

Novel Metals and Metal Complexes as Platforms for Cancer Therapy

OpenAIRE

Frezza, Michael; Hindo, Sarmad; Chen, Di; Davenport, Andrew; Schmitt, Sara; Tomco, Dajena; Dou, Q. Ping

2010-01-01

Metals are essential cellular components selected by nature to function in several indispensable biochemical processes for living organisms. Metals are endowed with unique characteristics that include redox activity, variable coordination modes, and reactivity towards organic substrates. Due to their reactivity, metals are tightly regulated under normal conditions and aberrant metal ion concentrations are associated with various pathological disorders, including cancer. For these reasons, coo...

The Alchemist’s Approach to Metal Poisoning: Transforming the Metal Burden

Directory of Open Access Journals (Sweden)

Wayne Briner

2014-06-01

Full Text Available Metal poisoning is a global problem with humans being exposed to a wide range of metals in varying doses and varying time frames. Traditionally, treatment involves removal of the toxic source or chelation therapy. An intermediate approach is needed. This review outlines the argument for the use of essential metal supplementation as a strategy to induce metallothionein expression and displace the toxic metal from important biological systems, improving the metal burden of the patient. Specific recommendations are given for supplementation with calcium, zinc and vitamin E as a broad strategy to improve the status of those exposed to toxic metals.

21 CFR 888.3550 - Knee joint patellofemorotibial polymer/metal/metal constrained cemented prosthesis.

Science.gov (United States)

2010-04-01

... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Knee joint patellofemorotibial polymer/metal/metal... § 888.3550 Knee joint patellofemorotibial polymer/metal/metal constrained cemented prosthesis. (a) Identification. A knee joint patellofemorotibial polymer/metal/metal constrained cemented prosthesis is a device...

Infrared plasmonic nano-lasers based on Metal Insulator Metal waveguides

NARCIS (Netherlands)

Hill, M.T.

2010-01-01

We will present our latest results on metal-insulator-metal waveguide devices, in particular reducing the dimensions of devices and distributed feedback lasers. Also we will examine potential useful applications for metal nano-lasers.

High capacity V-based metal hydride electrodes for rechargeable batteries

OpenAIRE

Yang, Heng; Weadock, Nicholas J.; Tan, Hongjin; Fultz, Brent

2017-01-01

We report the successful development of Ti_(29)V_(62−x)Ni_9Cr_x (x = 0, 6, 12) body centered cubic metal hydride (MH) electrodes by addressing vanadium corrosion and dissolution in KOH solutions. By identifying oxygen as the primary source of corrosion and eliminating oxygen with an Ar-purged cell, the Cr-free Ti_(29)V_(62)Ni_9 alloy electrode achieved a maximum capacity of 594 mAh g^(-1), double the capacity of commercial AB_5 MH electrodes. With coin cells designed to minimize oxygen evolut...

No association between pseudotumors, high serum metal-ion levels and metal hypersensitivity in large-head metal-on-metal total hip arthroplasty at 5-7-year follow-up

DEFF Research Database (Denmark)

Hjorth, Mette Holm; Stilling, Maiken; Soballe, Kjeld

2015-01-01

-ion concentrations were measured, metal allergy and atopic dermatitis were evaluated, and the questionnaires of the Oxford Hip Score (OHS), Harris Hip Score (HHS) and the Short-Form Health Survey (SF-36) were completed. RESULTS: Pseudotumors were found in eight patients, but they were asymptomatic and their serum...... pseudotumor formation, serum metal-ion levels, metal patch test reactivity, and atopic dermatitis. However, clinicians should be aware of asymptomatic pseudotumors, and we advise further exploration into the mechanisms involved in the pathogenesis of pseudotumors.......OBJECTIVE: The relationship between metal wear debris, pseudotumor formation and metal hypersensitivity is complex and not completely understood. The purpose of this study was to assess the prevalence of pseudotumor formation in a consecutive series of metal-on-metal (MoM) total hip arthroplasty...

Advances in metal forming expert system for metal forming

CERN Document Server

Hingole, Rahulkumar Shivajirao

2015-01-01

This comprehensive book offers a clear account of the theory and applications of advanced metal forming. It provides a detailed discussion of specific forming processes, such as deep drawing, rolling, bending extrusion and stamping. The author highlights recent developments of metal forming technologies and explains sound, new and powerful expert system techniques for solving advanced engineering problems in metal forming. In addition, the basics of expert systems, their importance and applications to metal forming processes, computer-aided analysis of metalworking processes, formability analysis, mathematical modeling and case studies of individual processes are presented.

Which Factors Determine Metal Accumulation in Agricultural Soils in the Severely Human-Coupled Ecosystem?

Science.gov (United States)

Xu, Li; Cao, Shanshan; Wang, Jihua; Lu, Anxiang

2016-05-17

Agricultural soil is typically an important component of urban ecosystems, contributing directly or indirectly to the general quality of human life. To understand which factors influence metal accumulation in agricultural soils in urban ecosystems is becoming increasingly important. Land use, soil type and urbanization indicators all account for considerable differences in metal accumulation in agricultural soils, and the interactions between these factors on metal concentrations were also examined. Results showed that Zn, Cu, and Cd concentrations varied significantly among different land use types. Concentrations of all metals, except for Cd, were higher in calcareous cinnamon soil than in fluvo-aquic soil. Expansion distance and road density were adopted as urbanization indicators, and distance from the urban center was significantly negatively correlated with concentrations of Hg, and negatively correlated with concentrations of Zn, and road density was positively correlated with Cd concentrations. Multivariate analysis of variance indicated that Hg concentration was significantly influenced by the four-way interaction among all factors. The results in this study provide basic data to support the management of agricultural soils and to help policy makers to plan ahead in Beijing.

Ferrous and common nonferrous metals industries and associated scrap metals: a review

International Nuclear Information System (INIS)

Mautz, E.W.

1975-11-01

Literature on the common metals industries, scrap metal relationships, and transportation aspects has been reviewed as background information in a study to determine the feasibility of a portable melting facility for radioactively contaminated metals. This report draws substantially on government-sponsored studies. Aluminum, copper, iron and steel, and nickel metal industries are discussed from the viewpoints of the general industry characteristics, primary metal production processes, and secondary metal processing aspects. 46 references, 10 tables

Metallurgical features of the formation of a solid-phase metal joint upon electric-circuit heating

Science.gov (United States)

Latypov, R. A.; Bulychev, V. V.; Zybin, I. N.

2017-06-01

The thermodynamic conditions of formation of a joint between metals using the solid-phase methods of powder metallurgy, welding, and deposition of functional coatings upon electric-current heating of the surfaces to be joined are studied. Relations are obtained to quantitatively estimate the critical sizes of the circular and linear active centers that result in the formation of stable bonding zones.

Source of atmospheric heavy metals in winter in Foshan, China.

Science.gov (United States)

Tan, Ji-Hua; Duan, Jing-Chun; Ma, Yong-Liang; Yang, Fu-Mo; Cheng, Yuan; He, Ke-Bin; Yu, Yong-Chang; Wang, Jie-Wen

2014-09-15

Foshan is a ceramics manufacturing center in the world and the most polluted city in the Pearl River Delta (PRD) in southern China measured by the levels of atmospheric heavy metals. PM2.5 samples were collected in Foshan in winter 2008. Among the 22 elements and ions analyzed, 7 heavy metals (Zn, V, Mn, Cu, As, Cd and Pb) were studied in depth for their levels, spatiotemporal variations and sources. The ambient concentrations of the heavy metals were much higher than the reported average concentrations in China. The levels of Pb (675.7 ± 378.5 ng/m(3)), As (76.6 ± 49.1 ng/m(3)) and Cd (42.6 ± 45.2 ng/m(3)) exceeded the reference values of NAAQS (GB3095-2012) and the health guidelines of the World Health Organization. Generally, the levels of atmospheric heavy metals showed spatial distribution as: downtown site (CC, Chancheng District)>urban sites (NH and SD, Nanhai and Shunde Districts)>rural site (SS, Shanshui District). Two sources of heavy metals, the ceramic and aluminum industries, were identified during the sampling period. The large number of ceramic manufactures was responsible for the high levels of atmospheric Zn, Pb and As in Chancheng District. Transport from an aluminum industry park under light north-west winds contributed high levels of Cd to the SS site (Shanshui District). The average concentration of Cd under north-west wind was 220 ng/m(3), 20.5 times higher than those under other wind directions. The high daily maximum enrichment factors (EFs) of Cd, Pb, Zn, As and Cu at all four sites indicated extremely high contamination by local emissions. Back trajectory analysis showed that the heavy metals were also closely associated with the pathway of air mass. A positive matrix factorization (PMF) method was applied to determine the source apportionment of these heavy metals. Five factors (industry including the ceramic industry and coal combustion, vehicle emissions, dust, transportation and sea salt) were identified and industry was the most

Bees as Bioindicators of Environmental Pollution with Metals in an Urban Area

Directory of Open Access Journals (Sweden)

Mirosław Skorbiłowicz

2018-05-01

Full Text Available The commonness of metal contamination, even at considerable distances from industrial centers and intensively used economic areas, has become the interest of many researchers. The issue of evaluating the state of the environment with the help of living organisms has become a very important part in the control of the natural environment. Honey bee (Apis mellifera L is a good bioindicator as it is inextricably linked to the natural environment in which it lives. The aim of the research, and at the same time the main assumption of the study, was to evaluate the effectiveness of honeybees (Apis mellifera L as bioindicators for the presence of Cu, Cr, Zn, Mn, Fe in the urban area (example of Bialystok city. The study includes pilot studies covering three sampling periods (March, June and September 2015. Analyses of metals were made by ASA method. The results showed the presence of Cu, Cr Zn, Mn and Fe in all bees samples. An increased content of Cr in bees was also found, which may be the result of the presence of this element in the environment (air, soil, water, plants, pollen and in the impregnation agent applied to protect wooden elements of the bee hive. The research showed seasonal variation of metals in bees bodies. The main sources of studied metals in bee samples seem to be motorization, industry, and municipal economy within the urban area. Statistical calculations showed a common origin of majority of studied metals. Bee studies for metals contents can be an important element of a bio-monitoring of changing natural environment as a consequence of anthropogenic activity.

Thiol-functionalization of metal-organic framework by a facile coordination-based postsynthetic strategy and enhanced removal of Hg2+ from water

International Nuclear Information System (INIS)

Ke, Fei; Qiu, Ling-Guang; Yuan, Yu-Peng; Peng, Fu-Min; Jiang, Xia; Xie, An-Jian; Shen, Yu-Hua; Zhu, Jun-Fa

2011-01-01

Highlights: ► A novel type of functionalized MOF for heavy metal removal. ► Functionalization of MOF by a facile coordination-based postsynthetic strategy. ► Thiol-functionalization of MOF has been realized for the first time. ► Enhanced removal of Hg 2+ by thiol-functionalized MOFs. - Abstract: The presence of coordinatively unsaturated metal centers in metal-organic frameworks (MOFs) provides an accessible way to selectively functionalize MOFs through coordination bonds. In this work, we describe thiol-functionalization of MOFs by choosing a well known three-dimensional (3D) Cu-based MOF, i.e. [Cu 3 (BTC) 2 (H 2 O) 3 ] n (HKUST-1, BTC = benzene-1,3,5-tricarboxylate), by a facile coordination-based postsynthetic strategy, and demonstrate their application for removal of heavy metal ion from water. A series of [Cu 3 (BTC) 2 ] n samples stoichiometrically decorated with thiol groups has been prepared through coordination bonding of coordinatively unsaturated metal centers in HKUST-1 with –SH group in dithioglycol. The obtained thiol-functionalized samples were characterized by powder X-ray diffraction, scanning electron microscope, energy dispersive X-ray spectroscopy, infrared spectroscopy, and N 2 sorption–desorption isothermal. Significantly, the thiol-functionalized [Cu 3 (BTC) 2 ] n exhibited remarkably high adsorption affinity (K d = 4.73 × 10 5 mL g −1 ) and high adsorption capacity (714.29 mg g −1 ) for Hg 2+ adsorption from water, while the unfunctionalized HKUST-1 showed no adsorption of Hg 2+ under the same condition.

Light metal production

Science.gov (United States)

Fan, Qinbai

2016-04-19

An electrochemical process for the production of light metals, particularly aluminum. Such a process involves contacting a light metal source material with an inorganic acid to form a solution containing the light metal ions in high concentration. The solution is fed to an electrochemical reactor assembly having an anode side containing an anode and a cathode side containing a cathode, with anode side and the cathode side separated by a bipolar membrane, with the solution being fed to the anode side. Light metal ions are electrochemically transferred through the bipolar membrane to the cathode side. The process further involves reducing the light metal ions to light metal powder. An associated processing system is also provided.

Cone Penetrometer for Subsurface Heavy Metals Detection. Semiannual report, November 1, 1996--March 31, 1997

International Nuclear Information System (INIS)

Grisanti, Ames A.; Timpe, Ronald C.; Foster, H.J.; Eylands, Kurt E.; Crocker, Charlene R.

1997-01-01

Surface and subsurface contamination of soils by heavy metals, including Pb, Cr, Cu, Zn, and Cd, has become an area of concern for many industrial and government organizations (1). Conventional sampling and analysis techniques for soil provide a high degree of sensitivity and selectivity for individual analytes. However, obtaining a representative sampling and analysis from a particular site using conventional techniques is time consuming and costly (2). Additionally, conventional methods are difficult to implement in the field for in situ and/or real-time applications. Therefore, there is a need for characterization and monitoring techniques for heavy metals in soils which allow cost-effective, rapid, in situ measurements. Laser-induced breakdown spectroscopy (LIBS) has been used to successfully measure metals content in a variety of matrices (3-15) including soil (16,17). Under the Department of Energy (DOE) Federal Energy Technology Center (FETC) Industry Program, Science ampersand Engineering Associates (SEA) is developing a subsurface cone penetrometer (CPT) probe for heavy metals detection that employs LIBS (18). The LIES-CPT unit is to be applied to in situ, real-time sampling and analysis of heavy metals in soil. As part of its contract with DOE FETC, SEA is scheduled to field test its LIBS-CPT system in September 1997

Cone Penetrometer for Subsurface Heavy Metals Detection. Semiannual report, November 1, 1996--March 31, 1997

Energy Technology Data Exchange (ETDEWEB)

Grisanti, Ames A.; Timpe, Ronald C.; Foster, H.J.; Eylands, Kurt E.; Crocker, Charlene R.

1997-12-31

Surface and subsurface contamination of soils by heavy metals, including Pb, Cr, Cu, Zn, and Cd, has become an area of concern for many industrial and government organizations (1). Conventional sampling and analysis techniques for soil provide a high degree of sensitivity and selectivity for individual analytes. However, obtaining a representative sampling and analysis from a particular site using conventional techniques is time consuming and costly (2). Additionally, conventional methods are difficult to implement in the field for in situ and/or real-time applications. Therefore, there is a need for characterization and monitoring techniques for heavy metals in soils which allow cost-effective, rapid, in situ measurements. Laser-induced breakdown spectroscopy (LIBS) has been used to successfully measure metals content in a variety of matrices (3-15) including soil (16,17). Under the Department of Energy (DOE) Federal Energy Technology Center (FETC) Industry Program, Science {ampersand} Engineering Associates (SEA) is developing a subsurface cone penetrometer (CPT) probe for heavy metals detection that employs LIBS (18). The LIES-CPT unit is to be applied to in situ, real-time sampling and analysis of heavy metals in soil. As part of its contract with DOE FETC, SEA is scheduled to field test its LIBS-CPT system in September 1997.

Structure alterations in Al-Y-based metallic glasses with La and Ni addition

Energy Technology Data Exchange (ETDEWEB)

Shi, X. M.; Wang, X. D., E-mail: wangxd@zju.edu.cn, E-mail: jiangjz@zju.edu.cn; Yu, Q.; Cao, Q. P.; Jiang, J. Z., E-mail: wangxd@zju.edu.cn, E-mail: jiangjz@zju.edu.cn [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Zhang, D. X. [State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310027 (China); Zhang, J.; Hu, T. D. [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing (China); Lai, L. H.; Xie, H. L.; Xiao, T. Q. [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201203 (China)

2016-03-21

The atomic structures of Al{sub 89}Y{sub 11}, Al{sub 90}Y{sub 6.5}La{sub 3.5}, and Al{sub 82.8}Y{sub 6.07}Ni{sub 8}La{sub 3.13} metallic glasses have been studied by using high energy X-ray diffraction, X-ray absorption fine structure combined with the ab initio molecular dynamics and reverse Monte Carlo simulations. It is demonstrated that the partial replacement of Y atoms by La has limited improvement of the glass forming ability (GFA), although La atoms reduce the ordering around Y atoms and also the fractions of icosahedron-like polyhedra centered by Al atoms. In contrast, Ni atoms can significantly improve the GFA, which are inclined to locate in the shell of polyhedra centered by Al, Y, and La atoms, mainly forming Ni-centered icosahedron-like polyhedra to enhance the spatial connectivity between clusters and suppress the crystallization.

Drosophila melanogaster Models of Metal-Related Human Diseases and Metal Toxicity.

Science.gov (United States)

Calap-Quintana, Pablo; González-Fernández, Javier; Sebastiá-Ortega, Noelia; Llorens, José Vicente; Moltó, María Dolores

2017-07-06

Iron, copper and zinc are transition metals essential for life because they are required in a multitude of biological processes. Organisms have evolved to acquire metals from nutrition and to maintain adequate levels of each metal to avoid damaging effects associated with its deficiency, excess or misplacement. Interestingly, the main components of metal homeostatic pathways are conserved, with many orthologues of the human metal-related genes having been identified and characterized in Drosophila melanogaster . Drosophila has gained appreciation as a useful model for studying human diseases, including those caused by mutations in pathways controlling cellular metal homeostasis. Flies have many advantages in the laboratory, such as a short life cycle, easy handling and inexpensive maintenance. Furthermore, they can be raised in a large number. In addition, flies are greatly appreciated because they offer a considerable number of genetic tools to address some of the unresolved questions concerning disease pathology, which in turn could contribute to our understanding of the metal metabolism and homeostasis. This review recapitulates the metabolism of the principal transition metals, namely iron, zinc and copper, in Drosophila and the utility of this organism as an experimental model to explore the role of metal dyshomeostasis in different human diseases. Finally, a summary of the contribution of Drosophila as a model for testing metal toxicity is provided.

Workplace and occupational health: The first metal evaluation using nuclear and analytical techniques in the State of Minas Gerais, Brazil

International Nuclear Information System (INIS)

Barros Correia Menezes, M.A. de; Vilhena Schayer Sabino, C. de; Melo Mattos, S.V. de; Santos Filho, S.; Diniz, E.

1998-01-01

Belo Horizonte, the capital of the State of Minas Gerais and its neighbourhood are the second industrial center of Brazil, concentrating many industries in several areas mainly metal refining and transformation. There are no registers about the level of metal concentration in the environmental air in the industry, nor even of the level of workers' contamination. The overall objective of this Project is to make a survey of the exposures to metals related to occupational diseases in galvanizing industry, which is responsible for the majority of occurrences of occupational diseases. The survey will be accomplished using as bio-indicators hair, nails, blood, urine, and individual air filters. These matrixes will indicate the incorporation of metals and the exposure level. The analytical techniques that will be applied are the neutron activation joined to related non nuclear analytical techniques, such as atomic absorption. (author)

Resistance to He{sup 2+} irradiation damage in metallic glass Ta{sub 38}Ni{sub 62}

Energy Technology Data Exchange (ETDEWEB)

Hou, Wenjing [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Mei, Xianxiu, E-mail: xxmei@dlut.edu.cn [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Zhang, Xiaonan; Wang, Yingmin; Qiang, Jianbing [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Sun, Jianrong [Institute of Modern Physics, The Chinese Academy of Sciences, Lanzhou 730000 (China); Wang, Younian [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China)

2016-10-15

Highlights: • Metallic glass Ta{sub 38}Ni{sub 62} irradiated by different fluence of He{sup 2+} remained amorphous. • The helium bubble layer appeared at the end of ion range 1.01 μm away from surface. • Helium bubbles were larger in the layer center and reduced to top and bottom sides. • No significant damage appeared in the surface of metallic glass Ta{sub 38}Ni{sub 62}. • Ta{sub 38}Ni{sub 62} better resisted to He{sup 2+} irradiation than W and V{sub 87.5}Cr{sub 4.17}Ti{sub 4.17}Nb{sub 4.17}. - Abstract: Metallic glass Ta{sub 38}Ni{sub 62} strips, metallic W, and V{sub 87.5}Cr{sub 4.17}Ti{sub 4.17}Nb{sub 4.17} alloy were irradiated using a 500 keV He{sup 2+} ion beam at different fluence to compare the metallic glass resistance to irradiation. Metallic glass Ta{sub 38}Ni{sub 62} remained amorphous at different He{sup 2+} irradiation fluence. Transmission electron microscopy analysis revealed the presence of helium bubbles at the end of the range of helium ions in the metallic glass. No significant damage resulted in the metallic glass surface, and the root mean square roughness increased nonlinearly with the increase in fluence. At 1 × 10{sup 18} ions/cm{sup 2}, metallic W appeared in larger sunken areas on the surface and V{sub 87.5}Cr{sub 4.17}Ti{sub 4.17}Nb{sub 4.17} alloy experienced multi-layer flaking. The metallic glass Ta{sub 38}Ni{sub 62} resistance to He{sup 2+} ion beam irradiation was better than that of metallic W, and that of the V{sub 87.5}Cr{sub 4.17}Ti{sub 4.17}Nb{sub 4.17} alloy was the poorest.

Direct Metal Laser Sintering: A Digitised Metal Casting Technology

OpenAIRE

Venkatesh, K. Vijay; Nandini, V. Vidyashree

2013-01-01

Dental technology is undergoing advancements at a fast pace and technology is being imported from various other fields. One such imported technology is direct metal laser sintering technology for casting metal crowns. This article will discuss the process of laser sintering for making metal crowns and fixed partial dentures with a understanding of their pros and cons.

Direct metal laser sintering: a digitised metal casting technology.

Science.gov (United States)

Venkatesh, K Vijay; Nandini, V Vidyashree

2013-12-01

Dental technology is undergoing advancements at a fast pace and technology is being imported from various other fields. One such imported technology is direct metal laser sintering technology for casting metal crowns. This article will discuss the process of laser sintering for making metal crowns and fixed partial dentures with a understanding of their pros and cons.

Application of a mixed metal oxide catalyst to a metallic substrate

Science.gov (United States)

Sevener, Kathleen M. (Inventor); Lohner, Kevin A. (Inventor); Mays, Jeffrey A. (Inventor); Wisner, Daniel L. (Inventor)

2009-01-01

A method for applying a mixed metal oxide catalyst to a metallic substrate for the creation of a robust, high temperature catalyst system for use in decomposing propellants, particularly hydrogen peroxide propellants, for use in propulsion systems. The method begins by forming a prepared substrate material consisting of a metallic inner substrate and a bound layer of a noble metal intermediate. Alternatively, a bound ceramic coating, or frit, may be introduced between the metallic inner substrate and noble metal intermediate when the metallic substrate is oxidation resistant. A high-activity catalyst slurry is applied to the surface of the prepared substrate and dried to remove the organic solvent. The catalyst layer is then heat treated to bind the catalyst layer to the surface. The bound catalyst layer is then activated using an activation treatment and calcinations to form the high-activity catalyst system.

Metal flows of the circumgalactic medium, and the metal budget in galactic haloes

Science.gov (United States)

Muratov, Alexander L.; Kereš, Dušan; Faucher-Giguère, Claude-André; Hopkins, Philip F.; Ma, Xiangcheng; Anglés-Alcázar, Daniel; Chan, T. K.; Torrey, Paul; Hafen, Zachary H.; Quataert, Eliot; Murray, Norman

2017-07-01

We present an analysis of the flow of metals through the circumgalactic medium (CGM) in the Feedback in Realistic Environments (FIRE) simulations of galaxy formation, ranging from isolated dwarfs to L* galaxies. We find that nearly all metals produced in high-redshift galaxies are carried out in winds that reach 0.25Rvir. When measured at 0.25Rvir the metallicity of outflows is slightly higher than the interstellar medium (ISM) metallicity. Many metals thus reside in the CGM. Cooling and recycling from this reservoir determine the metal budget in the ISM. The outflowing metal flux decreases by a factor of ˜2-5 between 0.25Rvir and Rvir. Furthermore, outflow metallicity is typically lower at Rvir owing to dilution of the remaining outflow by metal-poor material swept up from the CGM. The inflow metallicity at Rvir is generally low, but outflow and inflow metallicities are similar in the inner halo. At low redshift, massive galaxies no longer generate outflows that reach the CGM, causing a divergence in CGM and ISM metallicity. Dwarf galaxies continue to generate outflows, although they preferentially retain metal ejecta. In all but the least massive galaxy considered, a majority of the metals are within the halo at z = 0. We measure the fraction of metals in CGM, ISM and stars, and quantify the thermal state of CGM metals in each halo. The total amount of metals in the low-redshift CGM of two simulated L* galaxies is consistent with estimates from the Cosmic Origin Spectrograph haloes survey, while for the other two it appears to be lower.

The Precarious Question of Black Cultural Centers Versus Multicultural Centers.

Science.gov (United States)

Princes, Carolyn D. W.

This paper discusses the role of black cultural centers on university campuses, focusing on whether black cultural centers or multicultural centers best meet the needs of an increasingly diverse student body and society. It examines the historical role of black cultural centers as vehicles to promote educational opportunity, student retention, and…

Mechanistic aspects of dinitrogen cleavage and hydrogenation to produce ammonia in catalysis and organometallic chemistry: relevance of metal hydride bonds and dihydrogen.

Science.gov (United States)

Jia, Hong-Peng; Quadrelli, Elsje Alessandra

2014-01-21

Dinitrogen cleavage and hydrogenation by transition-metal centers to produce ammonia is central in industry and in Nature. After an introductory section on the thermodynamic and kinetic challenges linked to N2 splitting, this tutorial review discusses three major classes of transition-metal systems (homogeneous, heterogeneous and biological) capable of achieving dissociation and hydrogenation of dinitrogen. Molecular complexes, solid-state Haber-Bosch catalytic systems, silica-supported tantalum hydrides and nitrogenase will be discussed. Emphasis is focused on the reaction mechanisms operating in the process of dissociation and hydrogenation of dinitrogen, and in particular on the key role played by metal hydride bonds and by dihydrogen in such reactions.

Reduction of metal oxides in metal carbide fusion superheated with plasma

Energy Technology Data Exchange (ETDEWEB)

Hedai, L

1981-01-01

A significant part of metals is capable of binding a high quantity of carbon in the form of carbide. The carbide fusion produced as a result of smelting and superheating, metal carbides with the use of plasma might be a medium to be utilized for the reduction of different metal oxides, whilst also the original carbide structure of the metal carbides will be reduced to metallic structure. The experiments conducted by making use of plasma equipment, of 20, 55 and 100 kW performances are described. On the basis of the results of the experiments performed, the following statements are to be made. The oxide reductions taking place in the metal carbide fusion might also be carried out in open-hearth furnaces, because reducing atmosphere is not necessitated during this procedure. The quantity of energy required is basically defined by the energy needed for smelting and superheating the metal carbide. The method for producing the metal described may be mainly applied for the allied production of high-purity steels as well as for that of ferro-alloys.

Neutron irradiation effects on magnetic properties of Fe-based ferromagnetic metallic glasses

International Nuclear Information System (INIS)

Miglierini, M.; Nasu, Saburo; Skorvanek, I.; Sitek, J.

1992-01-01

Transmission 57 Fe Moessbauer spectroscopy, J-H quasistatic hysteresis loop and AC susceptibility measurements are used to study effects of neutron irradiation on magnetic properties of Fe-based-ferromagnetic metallic glasses. Elastic stress centers are produced during the process of neutron irradiation as a result of atom mixing. Rearrangement of the atoms causes changes in the average value of the hyperfine field distribution and orientation of the net magnetic moment. They are shown to depend on the composition of the investigated samples. Cr-doped metallic glasses depict transition from the ferromagnetic to paramagnetic state at room temperature after neutron irradiation implying changes in the Curie temperature. The presence of Ni in the samples reduces the effects of radiation damage as revealed also from position lifetime data. Possible sources of a radiation damage are discussed using the results of γ-ray spectroscopy. (author)

Neutron irradiation effects on magnetic properties of Fe-based ferromagnetic metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Miglierini, M.; Nasu, Saburo (Osaka Univ., Toyonaka (Japan). Faculty of Science); Skorvanek, I.; Sitek, J.

1992-04-01

Transmission {sup 57}Fe Moessbauer spectroscopy, J-H quasistatic hysteresis loop and AC susceptibility measurements are used to study effects of neutron irradiation on magnetic properties of Fe-based-ferromagnetic metallic glasses. Elastic stress centers are produced during the process of neutron irradiation as a result of atom mixing. Rearrangement of the atoms causes changes in the average value of the hyperfine field distribution and orientation of the net magnetic moment. They are shown to depend on the composition of the investigated samples. Cr-doped metallic glasses depict transition from the ferromagnetic to paramagnetic state at room temperature after neutron irradiation implying changes in the Curie temperature. The presence of Ni in the samples reduces the effects of radiation damage as revealed also from position lifetime data. Possible sources of a radiation damage are discussed using the results of {gamma}-ray spectroscopy. (author).

Metal artifact reduction method using metal streaks image subtraction

International Nuclear Information System (INIS)

Pua, Rizza D.; Cho, Seung Ryong

2014-01-01

Many studies have been dedicated for metal artifact reduction (MAR); however, the methods are successful to varying degrees depending on situations. Sinogram in-painting, filtering, iterative method are some of the major categories of MAR. Each has its own merits and weaknesses. A combination of these methods or hybrid methods have also been developed to make use of the different benefits of two techniques and minimize the unfavorable results. Our method focuses on the in-paitning approach and a hybrid MAR described by Xia et al. Although in-painting scheme is an effective technique in reducing the primary metal artifacts, a major drawback is the reintroduction of new artifacts that can be caused by an inaccurate interpolation process. Furthermore, combining the segmented metal image to the corrected nonmetal image in the final step of a conventional inpainting approach causes an issue of incorrect metal pixel values. Our proposed method begins with a sinogram in-painting approach and ends with an image-based metal artifact reduction scheme. This work provides a simple, yet effective solution for reducing metal artifacts and acquiring the original metal pixel information. The proposed method demonstrated its effectiveness in a simulation setting. The proposed method showed image quality that is comparable to the standard MAR; however, quantitatively more accurate than the standard MAR

Do constructed wetlands remove metals or increase metal bioavailability?

Science.gov (United States)

Xu, Xiaoyu; Mills, Gary L

2018-07-15

The H-02 wetland was constructed to treat building process water and storm runoff water from the Tritium Processing Facility on the Department of Energy's Savannah River Site (Aiken, SC). Monthly monitoring of copper (Cu) and zinc (Zn) concentrations and water quality parameters in surface waters continued from 2014 to 2016. Metal speciation was modeled at each sampling occasion. Total Cu and Zn concentrations released to the effluent stream were below the NPDES limit, and the average removal efficiency was 65.9% for Cu and 71.1% for Zn. The metal-removal processes were found out to be seasonally regulated by sulfur cycling indicated by laboratory and model results. High temperature, adequate labile organic matter, and anaerobic conditions during the warm months (February to August) favored sulfate reduction that produced sulfide minerals to significantly remove metals. However, the dominant reaction in sulfur cycling shifted to sulfide oxidation during the cool months (September to next March). High concentrations of metal-organic complexes were observed, especially colloidal complexes of metal and fulvic acid (FA), demonstrating adsorption to organic matter became the primary process for metal removal. Meanwhile, the accumulation of metal-FA complexes in the wetland system will cause negative effects to the surrounding environment as they are biologically reactive, highly bioavailable, and can be easily taken up and transferred to ecosystems by trophic exchange. Copyright © 2018 Elsevier Ltd. All rights reserved.

Impact of repeated single-metal and multi-metal pollution events on soil quality.

Science.gov (United States)

Burges, Aritz; Epelde, Lur; Garbisu, Carlos

2015-02-01

Most frequently, soil metal pollution results from the occurrence of repeated single-metal and, above all, multi-metal pollution events, with concomitant adverse consequences for soil quality. Therefore, in this study, we evaluated the impact of repeated single-metal and multi-metal (Cd, Pb, Cu, Zn) pollution events on soil quality, as reflected by the values of a variety of soil microbial parameters with potential as bioindicators of soil functioning. Specifically, parameters of microbial activity (potentially mineralizable nitrogen, β-glucosidase and acid phosphatase activity) and biomass (fungal and bacterial gene abundance by RT-qPCR) were determined, in the artificially metal-polluted soil samples, at regular intervals over a period of 26 weeks. Similarly, we studied the evolution over time of CaCl2-extractable metal fractions, in order to estimate metal bioavailability in soil. Different metals showed different values of bioavailability and relative bioavailability ([metal]bio/[metal]tot) in soil throughout the experiment, under both repeated single-metal and multi-metal pollution events. Both repeated Zn-pollution and multi-metal pollution events led to a significant reduction in the values of acid phosphatase activity, and bacterial and fungal gene abundance, reflecting the negative impact of these repeated events on soil microbial activity and biomass, and, hence, soil quality. Copyright © 2014 Elsevier Ltd. All rights reserved.

Inhalable desert dust, urban emissions, and potentially biotoxic metals in urban Saharan-Sahelian air

Science.gov (United States)

Garrison, Virginia H.; Majewski, Michael S.; Konde, Lassana; Wolf, Ruth E.; Otto, Richard D.; Tsuneoka, Yutaka

2014-01-01

Saharan dust incursions and particulates emitted from human activities degrade air quality throughout West Africa, especially in the rapidly expanding urban centers in the region. Particulate matter (PM) that can be inhaled is strongly associated with increased incidence of and mortality from cardiovascular and respiratory diseases and cancer. Air samples collected in the capital of a Saharan–Sahelian country (Bamako, Mali) between September 2012 and July 2013 were found to contain inhalable PM concentrations that exceeded World Health Organization (WHO) and US Environmental Protection Agency (USEPA) PM2.5 and PM10 24-h limits 58 – 98% of days and European Union (EU) PM10 24-h limit 98% of days. Mean concentrations were 1.2-to-4.5 fold greater than existing limits. Inhalable PM was enriched in transition metals, known to produce reactive oxygen species and initiate the inflammatory response, and other potentially bioactive and biotoxic metals/metalloids. Eroded mineral dust composed the bulk of inhalable PM, whereas most enriched metals/metalloids were likely emitted from oil combustion, biomass burning, refuse incineration, vehicle traffic, and mining activities. Human exposure to inhalable PM and associated metals/metalloids over 24-h was estimated. The findings indicate that inhalable PM in the Sahara–Sahel region may present a threat to human health, especially in urban areas with greater inhalable PM and transition metal exposure.

Characteristics of laser ultrasound interaction with multi-layered dissimilar metals adhesive interface by numerical simulation

Energy Technology Data Exchange (ETDEWEB)

Zhang, Kuanshuang, E-mail: zkuanshuang@buaa.edu.cn [School of Mechanical Engineering and Automation, BeiHang University, Beijing 100191 (China); Collaborative Innovation Center of Advanced Aero-Engine, Beijing 100191 (China); Zhou, Zhenggan; Zhou, Jianghua; Sun, Guangkai [School of Mechanical Engineering and Automation, BeiHang University, Beijing 100191 (China); Collaborative Innovation Center of Advanced Aero-Engine, Beijing 100191 (China)

2015-10-30

Highlights: • We investigate laser generated ultrasound in multi-layered adhesive structure. • We find the difference of waveforms with different probe points. • Probe points and frequency range influence characterization of the damage interface. • Reflection coefficients of longitudinal waves can quantify the void defect. - Abstract: The characteristics of laser-generated ultrasonic wave interaction with multi-layered dissimilar metals adhesive interface are investigated by finite element method (FEM). The physical model of laser-generated ultrasonic wave in the multi-layered dissimilar metals adhesive structure is built. The surface temperature evolution with different laser power densities is analyzed to obtain the parameters of pulsed laser with thermoelastic regime. The differences of laser ultrasonic waves with different center frequencies measured at the center of laser irradiation would verify the interfacial features of adhesive structures. The optimum frequency range and probe point would be beneficial for the detection of the small void defect. The numerical results indicate that the different frequency range and probe points would evidently influence the identification and quantitative characterization of the small void defect. The research findings would lay a foundation for testing interfacial integrity.

Characteristics of laser ultrasound interaction with multi-layered dissimilar metals adhesive interface by numerical simulation

International Nuclear Information System (INIS)

Zhang, Kuanshuang; Zhou, Zhenggan; Zhou, Jianghua; Sun, Guangkai

2015-01-01

Highlights: • We investigate laser generated ultrasound in multi-layered adhesive structure. • We find the difference of waveforms with different probe points. • Probe points and frequency range influence characterization of the damage interface. • Reflection coefficients of longitudinal waves can quantify the void defect. - Abstract: The characteristics of laser-generated ultrasonic wave interaction with multi-layered dissimilar metals adhesive interface are investigated by finite element method (FEM). The physical model of laser-generated ultrasonic wave in the multi-layered dissimilar metals adhesive structure is built. The surface temperature evolution with different laser power densities is analyzed to obtain the parameters of pulsed laser with thermoelastic regime. The differences of laser ultrasonic waves with different center frequencies measured at the center of laser irradiation would verify the interfacial features of adhesive structures. The optimum frequency range and probe point would be beneficial for the detection of the small void defect. The numerical results indicate that the different frequency range and probe points would evidently influence the identification and quantitative characterization of the small void defect. The research findings would lay a foundation for testing interfacial integrity.

Radiolytic and photochemical reduction of carbon dioxide in solution catalyzed by transition metal complexes with some selected macrocycles

International Nuclear Information System (INIS)

Grodkowski, J.

2004-01-01

The main goal of the work presented in this report is an explanation of the mechanism of carbon dioxide (CO 2 ) reduction catalyzed by transition metal complexes with some selected macrocycles. The catalytic function of two electron exchange centers in the reduction of CO 2 , an inner metal and a macrocycle ring, was defined. Catalytic effects of rhodium, iron and cobalt porphyrins, cobalt and iron phthalocyanines and corroles as well as cobalt corrins have been investigated. CO 2 reduction by iron ions without presence of macrocycles and also in presence of copper compounds in aqueous solutions have been studied as well

Metal-core@metal oxide-shell nanomaterials for gas-sensing applications: a review

Energy Technology Data Exchange (ETDEWEB)

Mirzaei, A.; Janghorban, K.; Hashemi, B. [Shiraz University, Department of Materials Science and Engineering (Iran, Islamic Republic of); Neri, G., E-mail: gneri@unime.it [University of Messina, Department of Electronic Engineering, Chemistry and Industrial Engineering (Italy)

2015-09-15

With an ever-increasing number of applications in many advanced fields, gas sensors are becoming indispensable devices in our daily life. Among different types of gas sensors, conductometric metal oxide semiconductor (MOS) gas sensors are found to be the most appealing for advanced applications in the automotive, biomedical, environmental, and safety sectors because of the their high sensitivity, reduced size, and low cost. To improve their sensing characteristics, new metal oxide-based nanostructures have thus been proposed in recent years as sensing materials. In this review, we extensively review gas-sensing properties of core@ shell nanocomposites in which metals as the core and metal oxides as the shell structure, both of nanometer sizes, are assembled into a single metal@metal oxide core–shell. These nanostructures not only combine the properties of both noble metals and metal oxides, but also bring unique synergetic functions in comparison with single-component materials. Up-dated achievements in the synthesis and characterization of metal@metal oxide core–shell nanostructures as well as their use in MOS sensors are here reported with the main objective of providing an overview about their gas-sensing properties.

Comparison of interface structure of BCC metallic (Fe, V and Nb) films on MgO (100) substrate

Energy Technology Data Exchange (ETDEWEB)

Du, J.L. [State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Zhang, L.Y. [State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an, 710049 (China); Fu, E.G., E-mail: efu@pku.edu.cn [State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Ding, X., E-mail: dingxd@mail.xjtu.edu.cn [State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an, 710049 (China); Yu, K.Y., E-mail: kyyu@cup.edu.cn [Department of Materials Science and Engineering, China University of Petroleum, Beijing 102249 (China); Wang, Y.G. [State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Wang, Y.Q.; Baldwin, J.K. [Experimental Physical Sciences Directorate, Los Alamos National Laboratory, Los Alamos, NM 87544 (United States); Wang, X.J. [State Key Laboratory of Advanced Optical Communication Systems and Networks, Peking University, Beijing 100871 (China); Xu, P. [Department of Chemistry, Harbin Institute of Technology, Harbin, Heilongjiang, 150001 (China)

2017-07-15

Highlights: • The difference of BCC metal/MgO(100) interface configuration with various lattice mismatches is identified by experiments and simulations in terms of dislocations and work of separation. • The strength of bonds along interface is found to be the fundamental factor to determine the interface configurations between BCC metal and MgO substrate. • The combination of experiments and simulations shows that the O-atop model is the actual match type between BCC metal and MgO substrate. - Abstract: This study systematically investigates the interface structure of three body-centered-cubic (BCC) metallic (Fe, V and Nb) films grown on MgO(100) substrates through experiments and simulations. Orientation relationships of their interfaces with the different lattice mismatches exhibit cube-on-cube configurations. The misfit dislocations at these three interfaces exhibit different characteristics. High resolution TEM (HRTEM), combined with first principle calculations, demonstrates the O-atop match type between metal atoms and MgO substrates for the first time. The fundamental mechanism in determining the interface configuration is discussed in terms of the work of separation and delocalization of atomic charge density.

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

Energy Technology Data Exchange (ETDEWEB)

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

2009-10-15

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

Literature survey on metal waste form for metallic waste from electrorefiners for the electrometallurgical treatment of spent metallic fuels

International Nuclear Information System (INIS)

Nishimura, Tomohiro

2003-01-01

This report summarizes the recent results of the metal waste form development activities at the Argonne National Laboratory in the USA for high-level radioactive metallic waste (stainless-steel (SS) cladding hulls, zirconium (Zr), noble-metal fission products (NMFPs), etc.) from electrorefiners for the electrometallurgical treatment of spent metallic fuels. Their main results are as follows: (1) SS- 15 wt.% Zr- ∼4 wt.% NMFPs alloy was selected as the metal waste form, (2) metallurgical data, properties, long-term corrosion data, etc. of the alloy have been collected, (3) 10-kg ingots have been produced in hot tests and a 60-kg production machine is under development. The following research should be made to show the feasibility of the metal waste form in Japan: (1) degradation assessment of the metal waste form in Japanese geological repository environments, and (2) clarification of the maximum allowable contents of NMFPs. (author)

CSER 94-014: Storage of metal-fuel loaded EBR-II casks in concrete vault on PFP grounds

International Nuclear Information System (INIS)

Hess, A.L.

1994-01-01

A criticality safety evaluation is presented to permit EBR-2 spent fuel casks loaded with metallic fuel rods to be stored in an 8-ft diameter, cylindrical concrete vault inside the PFP security perimeter. The specific transfer of three casks with Pu alloy fuel from the Los Alamos Molten Plutonium Reactor Experiment from the burial grounds to the vault is thus covered. Up to seven casks may be emplaced in the casing with 30 inches center to center spacing. Criticality safety is assured by definitive packaging rules which keep the fissile medium dry and at a low effective volumetric density

PREPARATION OF METAL OXIDE POWDERS FROM METAL LOADED VERSATIC ACID

OpenAIRE

KAKIHATA, Takayuki; USAMI, Kensuke; YAMAMOTO, Hideki; SHIBATA, Junji

1998-01-01

A production process for metal oxide powders was developed using a solvent extraction method. Versatic Acid 10 and D2EHPA solutions containing copper, zinc and nickel were used for a precipitation-stripping process, where oxalic acid was added to the solution as a precipitation reagent.Copper, zinc and nickel oxalates were easily formed in an aqueous phase, and 99.9% of precipitation was obtained for each metal during this process. These metal oxalates were easily converted to metal oxides by...

Enhanced photoluminescence from single nitrogen-vacancy defects in nanodiamonds coated with metal-phenolic networks

OpenAIRE

Bray, Kerem; Previdi, Rodolfo; Gibson, Brant C.; Shimoni, Olga; Aharonovich, Igor

2015-01-01

Fluorescent nanodiamonds are attracting major attention in the field of bio-sensing and biolabeling. In this work we demonstrate a robust approach to surface functionalize individual nanodiamonds with metal-phenolic networks that enhance the photoluminescence from single nitrogen vacancy (NV) centers. We show that single NV centres in the coated nanodiamonds also exhibit shorter lifetimes, opening another channel for high resolution sensing. We propose that the nanodiamond encapsulation suppr...

Epidemiological analysis of common influence of low doses of ionizing radiation, heavy metals and pesticides

International Nuclear Information System (INIS)

Shestopalov, V.M.; Naboka, M.V.

1997-01-01

Comparison of ecological danger of substances of a chemical and radiating nature on the territory of Chernobyl's exhaust of Kyiv area is conducted. Epidemiological analysis, is conducted in accordance with ''Methodological recommendations for radioecological assessment of territories by mapping''. Influence on children's morbity of 27 factors contamination of an environment (radiocesium, heavy metals, pesticides and fertilizer) was investigated. Analysis has shown, that the influence from all investigated ecological factors reaches 30-40%, differing in different zones of supervision. The influence of radioactive factors in the Northern part of Kyiv test site, is 6 times greater than the risk caused by heavy metals and agrochemical pollution. A greater influence of heavy metals was found in the center of the Kyiv test site. The result of our research on the territory of Chernobyl's exhaust shows that there exist factors of different nature which influence on human health is significant and create combinations dangerous for health. (author)

Size-segregated concentration of heavy metals in an urban aerosol of the Balkans region (Belgrade

Directory of Open Access Journals (Sweden)

Đorđević D.

2013-04-01

Full Text Available This work focuses on the heavy metals contents of the size-segregated urban aerosol of the continental area of Balkans. The distribution of nano/micron heavy metals in the size-segregated urban aerosol of Belgrade center was studied during the summer–autumn of 2008. The particle size distribution in the size ranges Dp ≤ 0.49 μm, 0.49 ≤ Dp ≤ 0.95 μm, 0.95 ≤ Dp ≤ 1.5 μm, 1.5 ≤ Dp ≤ 3.0 μm, 3.0 ≤ Dp ≤ 7.2 μm and Dp ≥ 7.2 μm was measured. The aerosol samples were submitted to gravimetric and chemical analyses. The obtained mean mass concentration of the PM fractions was in accordance with an urban aerosol distribution. The aerosol mass concentrations were determined by gravimetric measurements (mGM and, for heavy metals analyzed by ICP/MS.

Solid-liquid interface free energies of pure bcc metals and B2 phases

Science.gov (United States)

Wilson, S. R.; Gunawardana, K. G. S. H.; Mendelev, M. I.

2015-04-01

The solid-liquid interface (SLI) free energy was determined from molecular dynamics (MD) simulation for several body centered cubic (bcc) metals and B2 metallic compounds (space group: P m 3 ¯ m ; prototype: CsCl). In order to include a bcc metal with a low melting temperature in our study, a semi-empirical potential was developed for Na. Two additional synthetic "Na" potentials were also developed to explore the effect of liquid structure and latent heat on the SLI free energy. The obtained MD data were compared with the empirical Turnbull, Laird, and Ewing relations. All three relations are found to predict the general trend observed in the MD data for bcc metals obtained within the present study. However, only the Laird and Ewing relations are able to predict the trend obtained within the sequence of "Na" potentials. The Laird relation provides the best prediction for our MD data and other MD data for bcc metals taken from the literature. Overall, the Laird relation also agrees well with our B2 data but requires a proportionality constant that is substantially different from the bcc case. It also fails to explain a considerable difference between the SLI free energies of some B2 phases which have nearly the same melting temperature. In contrast, this difference is satisfactorily described by the Ewing relation. Moreover, the Ewing relation obtained from the bcc dataset also provides a reasonable description of the B2 data.

Evaluation of complexing agents and column temperature in ion chromatographic separation of alkali metals, alkaline earth metals and transition metals ion

International Nuclear Information System (INIS)

Kelkar, Anoop; Pandey, Ashish; Name, Anil B.; Das, D.K.; Behere, P.G.; Mohd Afzal

2015-01-01

The aim of ion chromatography method development is the resolution of all metal ions of interests. Resolution can be improved by changing the selectivity. Selectivity in chromatography can be altered by changes in mobile phase (eg eluent type, eluent strength) or through changes in stationary phase. Temperature has been used in altering the selectivity of particularly in reversed phase liquid chromatography and ion exchange chromatography. Present paper describe the retention behaviour of alkali metals, alkaline earth metals and transition metal ions on a silica based carboxylate function group containing analyte column. Alkali metals, alkaline earth metals and transition metal ions were detected by ion conductivity and UV-VIS detectors respectively

Acetabular bone density and metal ions after metal-on-metal versus metal-on-polyethylene total hip arthroplasty; short-term results

NARCIS (Netherlands)

Zijlstra, Wierd P.; van der Veen, Hugo C.; van den Akker-Scheek, Inge; Zee, Mark J. M.; Bulstra, Sjoerd K.; van Raay, Jos J. A. M.

Information on periprosthetic acetabular bone density is lacking for metal-on-metal total hip arthroplasties. These bearings use cobalt-chromium instead of titanium acetabular components, which could lead to stress shielding and hence periprosthetic bone loss. Cobalt and chromium ions have

An overview of IPPE research on liquid metal fast reactor thermohydraulics

International Nuclear Information System (INIS)

Sorokin, A. P.; Efanov, A. D.; Zhukov, A. V.; Bogoslovskaia, G. P.

2003-01-01

The paper presents brief information on the most significant researches in the fields of liquid metal hydrodynamics and heat transfer performed in the State Scientific Center of Russian Federation 'Institute for Physics and Power Engineering' named after A.I.Leypunski applied to sodium-cooled fast reactors. Experimental methods for studying liquid metal thermohydraulics and applied measurement techniques are overviewed briefly in the paper. Some results of fundamental thermohydraulic investigations, such as quasi-universal character of velocity and temperature profile in liquid metals, if considered normally to the channel wall etc. are presented. Specific features of heat transfer in liquid metal cooled fuel subassembly are mentioned, among them there are: high level of coolant temperature; significant influence of an interchannel exchange on velocity and temperature distribution; an availability of contact thermal resistance; large azimuthal non-uniformity of velocity and temperature; 'conjugate' problem of heat transfer in combined geometry of fuel pin; an absence of stabilization of heat transfer in non-standard channels; an influence of non-uniform heat generation. Special attention is given to the temperature fields in fuel subassembly subjected to deformation because of radioactive swelling and creeping, as well as in case of blockage of a part of subassembly cross section. Some results of thermohydraulic investigation are demonstrated for intermediate heat exchangers, pressurized head collectors. Also the developed methods and codes of thermohydraulic calculations applied to fast reactor core are considered: subchannel approach, porous body model

The Behavior and Effects of the Noble Metals in the DWPF Melter System

International Nuclear Information System (INIS)

Smith, M.E.; Bickford, D.F.

1997-01-01

Governments worldwide have committed to stabilization of high-level nuclear waste (HLW) by vitrification to a durable glass form for permanent disposal. All of these nuclear wastes contain the fission-product noble metals: ruthenium, rhodium, and palladium. SRS wastes also contain natural silver from iodine scrubbers. Closely associated with the noble metals are the fission products selenium and tellurium which are chemical analogs of sulfur and which combine with noble metals to influence their behavior and properties. Experience has shown that these melt insoluble metals and their compounds tend to settle to the floor of Joule-heated ceramic melters. In fact, almost all of the major research and production facilities have experienced some operational problem which can be associated with the presence of dense accumulations of these relatively conductive metals and/or their compounds. In most cases, these deposits have led to a loss of production capability, in some cases, to the point that melter operation could not continue. HLW nuclear waste vitrification facilities in the United States are the Department of Energy's Defense Waste Processing Facility (DWPF) at the Savannah River Site, the planned Hanford Waste Vitrification Plant (HWVP) at the Hanford Site and the operating West Valley Demonstration Project (WVDP) at West Valley, NY. The Integrated DWPF Melter System (IDMS) is a vitrification test facility at the Savannah River Technology Center (SRTC). It was designed and constructed to provide an engineering-scale representation of the DWPF melter and its associated feed preparation and off-gas treatment systems. An extensive noble metals testing program was begun in 1990. The objectives of this task were to explore the effects of the noble metals on the DWPF melter feed preparation and waste vitrification processes. This report focuses on the vitrification portion of the test program

Conducting metal oxide and metal nitride nanoparticles

Science.gov (United States)

DiSalvo, Jr., Francis J.; Subban, Chinmayee V.

2017-12-26

Conducting metal oxide and nitride nanoparticles that can be used in fuel cell applications. The metal oxide nanoparticles are comprised of for example, titanium, niobium, tantalum, tungsten and combinations thereof. The metal nitride nanoparticles are comprised of, for example, titanium, niobium, tantalum, tungsten, zirconium, and combinations thereof. The nanoparticles can be sintered to provide conducting porous agglomerates of the nanoparticles which can be used as a catalyst support in fuel cell applications. Further, platinum nanoparticles, for example, can be deposited on the agglomerates to provide a material that can be used as both an anode and a cathode catalyst support in a fuel cell.

Bibliographies on radiation chemistry. 9. Metal ions and complexes. Part A: Cobalt, rhodium, iridium

Energy Technology Data Exchange (ETDEWEB)

Hoffman, M Z; Ross, A B

1986-01-01

The one-electron oxidation and reduction of metal ions and complexes can yield species in unusual oxidation states, and ligand-radicals coordinated to the central metal. These often unstable species can be mechanistically important intermediates in thermal, photochemical, and electrochemical reactions involving metal-containing substances. Their generation via radiolysis provides an alternate means of characterizing them using kinetic and spectroscopic techniques. We hope these bibliographies on the radiation chemistry of metal ions and complexes, presented according to periodic groups, will prove useful to researchers in metallo-redox chemistry. These bibliographies contain only primary literature sources; reviews are not included. However, a list of general review articles on the radiation chemistry of metal ions and complexes is presented here in the first section which covers cobalt, rhodium and iridium, Group 9 in the new IUPAC notation. Additional parts of the bibliography are planned, covering other periodic groups. Part A of the bibliography was prepared by a search of the Radiation Chemistry Data Center Bibliographic Data Base (RCDCbib) through January 1986 for papers on rhodium, iridium and cobalt compounds, and radiolysis (both continuous and pulsed). Papers in which the use of metal compounds was incidental to the primary objective of the study were excluded. Excluded also were publications in unrefereed and obscure sources such as meeting proceedings, internal reports, dissertations, and patents. The majority of the studies in the resultant compilation deal with experiments performed on solutions, mainly aqueous, although a substantial fraction is devoted to solid-state esr measurements. The references are listed in separate sections for each of the metals, and are presented in approximate chronological order.

Metal and nutrient dynamics in decomposing tree litter on a metal contaminated site

International Nuclear Information System (INIS)

Van Nevel, Lotte; Mertens, Jan; Demey, Andreas; De Schrijver, An; De Neve, Stefaan; Tack, Filip M.G.; Verheyen, Kris

2014-01-01

In a forest on sandy, metal polluted soil, we examined effects of six tree species on litter decomposition rates and accompanied changes in metal (Cd, Zn) and nutrient (base cations, N, C) amounts. Decomposition dynamics were studied by means of a litterbag experiment lasting for 30 months. The decomposition peak occurred within the first year for all tree species, except for aspen. During litter decomposition, high metal litter types released part of their accumulated metals, whereas low metal litter types were characterized by a metal enrichment. Base cations, N and C were released from all litter types. Metal release from contaminated litter might involve risks for metal dispersion towards the soil. On the other hand, metal enrichment of uncontaminated litter may be ecologically relevant as it can be easily transported or serve as food source. - Highlights: • Litter decomposition peak occurred within the first year for all tree species, except for aspen. • Base cations, N and C were released from all litter types during decomposition. • Cd and Zn were released from the high metal litter types. • Low metal litter types were characterized by a net Cd and Zn enrichment. • Metal and nutrient releases were reflected in topsoil characteristics. - Litter decomposition rates, as well as enrichment and release dynamics of metals and nutrients in decomposing litter were divergent under the different tree species

Studies on the optimization of deformation processed metal metal matrix composites

Energy Technology Data Exchange (ETDEWEB)

Ellis, Tim W. [Iowa State Univ., Ames, IA (United States)

1994-01-04

A methodology for the production of deformation processed metal metal matrix composites from hyper-eutectic copper-chromium alloys was developed. This methodology was derived from a basic study of the precipitation phenomena in these alloys encompassing evaluation of microstructural, electrical, and mechanical properties. The methodology developed produces material with a superior combination of electrical and mechanical properties compared to those presently available in commercial alloys. New and novel alloying procedures were investigated to extend the range of production methods available for these material. These studies focused on the use of High Pressure Gas Atomization and the development of new containment technologies for the liquid alloy. This allowed the production of alloys with a much more refined starting microstructure and lower contamination than available by other methods. The knowledge gained in the previous studies was used to develop two completely new families of deformation processed metal metal matrix composites. These composites are based on immissible alloys with yttrium and magnesium matrices and refractory metal reinforcement. This work extends the physical property range available in deformation processed metal metal matrix composites. Additionally, it also represents new ways to apply these metals in engineering applications.

Heavy metals in fish from the Aleutians: Interspecific and locational differences

Energy Technology Data Exchange (ETDEWEB)

Burger, Joanna, E-mail: burger@biology.rutgers.edu [Division of Life Sciences, Rutgers University, 604 Allison Road, Piscataway, NJ (United States); Environmental and Occupational Health Sciences Institute, Rutgers University, Piscataway, NJ (United States); Consortium for Risk Evaluation with Stakeholder Participation, Vanderbilt University, Nashville, TN 37235 (United States); Gochfeld, Michael [Environmental and Occupational Health Sciences Institute, Rutgers University, Piscataway, NJ (United States); Consortium for Risk Evaluation with Stakeholder Participation, Vanderbilt University, Nashville, TN 37235 (United States); Environmental and Occupational Medicine, Rutgers-Robert Wood Johnson Medical School, Piscataway, NJ 08854 (United States); Jeitner, Christian; Pittfield, Taryn [Division of Life Sciences, Rutgers University, 604 Allison Road, Piscataway, NJ (United States); Environmental and Occupational Health Sciences Institute, Rutgers University, Piscataway, NJ (United States); Consortium for Risk Evaluation with Stakeholder Participation, Vanderbilt University, Nashville, TN 37235 (United States); Donio, Mark [Division of Life Sciences, Rutgers University, 604 Allison Road, Piscataway, NJ (United States)

2014-05-01

The objectives of this study were to examine levels of arsenic, cadmium, lead, mercury and selenium in edible tissue of seven species of marine fish collected from several Aleutian islands (in 2004) to determine: (1) interspecific differences, (2) locational differences (among Aleutian Islands), (3) size-related differences in any metal levels within a species, and (4) potential risk to the fish or to predators on the fish, including humans. We also compared metals levels to those of three other fish species previously examined in detail, as well as examining metals in the edible tissue of octopus (Octopus dofleini). Octopus did not have the highest levels of any metal. There were significant interspecific differences in all metal levels among the fish species, although the differences were less than an order of magnitude, except for arsenic (mean of 19,500 ppb in Flathead sole, Hippoglossoides elassodon). Significant intraisland variation occurred among the four sites on Amchitka, but there was not a consistent pattern. There were significant interisland differences for some metals and species. Mercury levels increased significantly with size for several species; lead increased significantly for only one fish species; and cadmium and selenium decreased significantly with size for halibut (Hippoglossus stenolepis). The Alaskan Department of Health and Social Services supports unrestricted consumption of most Alaskan fish species for all people, including pregnant women. Most mean metal concentrations were well below the levels known to adversely affect the fish themselves, or predators that consume them (including humans), except for mercury in three fish species (mean levels just below 0.3 ppm), and arsenic in two fish species. However, even at low mercury levels, people who consume fish almost daily will exceed guideline values from the Centers for Disease Control and the Environmental Protection Agency. - Highlights: • Cadmium, lead, mercury and selenium

Heavy metals in fish from the Aleutians: Interspecific and locational differences

International Nuclear Information System (INIS)

Burger, Joanna; Gochfeld, Michael; Jeitner, Christian; Pittfield, Taryn; Donio, Mark

2014-01-01

The objectives of this study were to examine levels of arsenic, cadmium, lead, mercury and selenium in edible tissue of seven species of marine fish collected from several Aleutian islands (in 2004) to determine: (1) interspecific differences, (2) locational differences (among Aleutian Islands), (3) size-related differences in any metal levels within a species, and (4) potential risk to the fish or to predators on the fish, including humans. We also compared metals levels to those of three other fish species previously examined in detail, as well as examining metals in the edible tissue of octopus (Octopus dofleini). Octopus did not have the highest levels of any metal. There were significant interspecific differences in all metal levels among the fish species, although the differences were less than an order of magnitude, except for arsenic (mean of 19,500 ppb in Flathead sole, Hippoglossoides elassodon). Significant intraisland variation occurred among the four sites on Amchitka, but there was not a consistent pattern. There were significant interisland differences for some metals and species. Mercury levels increased significantly with size for several species; lead increased significantly for only one fish species; and cadmium and selenium decreased significantly with size for halibut (Hippoglossus stenolepis). The Alaskan Department of Health and Social Services supports unrestricted consumption of most Alaskan fish species for all people, including pregnant women. Most mean metal concentrations were well below the levels known to adversely affect the fish themselves, or predators that consume them (including humans), except for mercury in three fish species (mean levels just below 0.3 ppm), and arsenic in two fish species. However, even at low mercury levels, people who consume fish almost daily will exceed guideline values from the Centers for Disease Control and the Environmental Protection Agency. - Highlights: • Cadmium, lead, mercury and selenium

Grenade Range Management Using Lime for Dual Role of Metals Immobilization and Explosives Transformation Treatability

Science.gov (United States)

2006-11-01

Development and Engineering Command, Armament Research, Development and Engineering Center, Picatinny Arsenal , NJ 07806-5000 1. ABSTRACT: The importance...2001) and the FRTR (2006) are enhanced bioremediation and phytoremediation . The length of time and the effects of climate on cleanup are...cementitious reaction that stabilizes the metals in the soil. They found that lead, arsenic , mercury, and iron concentrations were very low in the leachate

Soil, Groundwater, Surface Water, and Sediments of Kennedy Space Center, Florida: Background Chemical and Physical Characteristics

Science.gov (United States)

Shmalzer, Paul A.; Hensley, Melissa A.; Mota, Mario; Hall, Carlton R.; Dunlevy, Colleen A.

2000-01-01

This study documented background chemical composition of soils, groundwater, surface; water, and sediments of Kennedy Space Center. Two hundred soil samples were collected, 20 each in 10 soil classes. Fifty-one groundwater wells were installed in 4 subaquifers of the Surficial Aquifer and sampled; there were 24 shallow, 16 intermediate, and 11 deep wells. Forty surface water and sediment samples were collected in major watershed basins. All samples were away from sites of known contamination. Samples were analyzed for organochlorine pesticides, aroclors, chlorinated herbicides, polycyclic aromatic hydrocarbons (PAH), total metals, and other parameters. All aroclors (6) were below detection in all media. Some organochlorine pesticides were detected at very low frequencies in soil, sediment, and surface water. Chlorinated herbicides were detected at very low frequencies in soil and sediments. PAH occurred in low frequencies in soiL, shallow groundwater, surface water, and sediments. Concentrations of some metals differed among soil classes, with subaquifers and depths, and among watershed basins for surface water but not sediments. Most of the variation in metal concentrations was natural, but agriculture had increased Cr, Cu, Mn, and Zn.

Nanoporous metal-carbon composite

Science.gov (United States)

Worsley, Marcus A.; Satcher, Joe; Kucheyev, Sergei; Charnvanichborikarn, Supakit; Colvin, Jeffrey; Felter, Thomas; Kim, Sangil; Merrill, Matthew; Orme, Christine

2017-12-19

Described here is a metal-carbon composite, comprising (a) a porous three-dimensional scaffold comprising one or more of carbon nanotubes, graphene and graphene oxide, and (b) metal nanoparticles disposed on said porous scaffold, wherein the metal-carbon composite has a density of 1 g/cm.sup.3 or less, and wherein the metal nanoparticles account for 1 wt. % or more of the metal-carbon composite. Also described are methods for making the metal-carbon composite.

The Sounds of Metal

DEFF Research Database (Denmark)

Grund, Cynthia M.

2015-01-01

Two, I propose that this framework allows for at least a theoretical distinction between the way in which extreme metal – e.g. black metal, doom metal, funeral doom metal, death metal – relates to its sound as music and the way in which much other music may be conceived of as being constituted...

Metal enrichment in the Fermi bubbles as a probe of their origin

Science.gov (United States)

Inoue, Yoshiyuki; Nakashima, Shinya; Tahara, Masaya; Kataoka, Jun; Totani, Tomonori; Fujita, Yutaka; Sofue, Yoshiaki

2015-06-01

The Fermi bubbles are gigantic gamma-ray structures in our Galaxy. The physical origin of the bubbles is still under debate. The leading scenarios can be divided into two categories. One is nuclear star-forming activity similar to extragalactic starburst galaxies and the other is past active galactic nucleus (AGN)-like activity of the Galactic center supermassive black hole. In this letter, we propose that metal abundance measurements will provide an important clue to probe their origin. Based on a simple spherically symmetric bubble model, we find that the generated metallicity and abundance patterns of the bubbles' gas strongly depend on assumed star formation or AGN activities. Star formation scenarios predict higher metallicities and abundance ratios of [O/Fe] and [Ne/Fe] than AGN scenarios do because of supernovae ejecta. Furthermore, the resultant abundance depends on the gamma-ray emission process because different mass injection histories are required for the different gamma-ray emission processes due to the acceleration and cooling time scales of non-thermal particles. Future X-ray missions such as ASTRO-H and Athena will give a clue to probe the origin of the bubbles through abundance measurements with their high energy resolution instruments.

Uranium recovering from slags generated in the metallic uranium by magnesiothermic reduction