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Sample records for surface metal site

Pollution distribution of heavy metals in surface soil at an informal electronic-waste recycling site.

Science.gov (United States)

Fujimori, Takashi; Takigami, Hidetaka

2014-02-01

We studied distribution of heavy metals [lead (Pb), copper (Cu) and zinc (Zn)] in surface soil at an electronic-waste (e-waste) recycling workshop near Metro Manila in the Philippines to evaluate the pollution size (spot size, small area or the entire workshop), as well as to assess heavy metal transport into the surrounding soil environment. On-site length-of-stride-scale (~70 cm) measurements were performed at each surface soil point using field-portable X-ray fluorescence (FP-XRF). The surface soil at the e-waste recycling workshop was polluted with Cu, Zn and Pb, which were distributed discretely in surface soil. The site was divided into five areas based on the distance from an entrance gate (y-axis) of the e-waste recycling workshop. The three heavy metals showed similar concentration gradients in the y-axis direction. Zn, Pb and Cu concentrations were estimated to decrease to half of their maximum concentrations at ~3, 7 and 7 m from the pollution spot, respectively, inside the informal e-waste recycling workshop. Distance from an entrance may play an important role in heavy metal transport at the soil surface. Using on-site FP-XRF, we evaluated the metal ratio to characterise pollution features of the solid surface. Variability analysis of heavy metals revealed vanishing surficial autocorrelation over metre ranges. Also, the possibility of concentration prediction at unmeasured points using geostatistical kriging was evaluated, and heavy metals had a relative "small" pollution scales and remained inside the original workshop compared with toxic organohalogen compounds. Thus, exposure to heavy metals may directly influence the health of e-waste workers at the original site rather than the surrounding habitat and environmental media.
Highly Dense Isolated Metal Atom Catalytic Sites

DEFF Research Database (Denmark)

Chen, Yaxin; Kasama, Takeshi; Huang, Zhiwei

2015-01-01

-ray diffraction. A combination of electron microscopy images with X-ray absorption spectra demonstrated that the silver atoms were anchored on five-fold oxygen-terminated cavities on the surface of the support to form highly dense isolated metal active sites, leading to excellent reactivity in catalytic oxidation......Atomically dispersed noble-metal catalysts with highly dense active sites are promising materials with which to maximise metal efficiency and to enhance catalytic performance; however, their fabrication remains challenging because metal atoms are prone to sintering, especially at a high metal...... loading. A dynamic process of formation of isolated metal atom catalytic sites on the surface of the support, which was achieved starting from silver nanoparticles by using a thermal surface-mediated diffusion method, was observed directly by using in situ electron microscopy and in situ synchrotron X...
[Adsorption of heavy metals on the surface of birnessite relationship with its Mn average oxidation state and adsorption sites].

Science.gov (United States)

Wang, Yan; Tan, Wen-Feng; Feng, Xiong-Han; Qiu, Guo-Hong; Liu, Fan

2011-10-01

Adsorption characteristics of mineral surface for heavy metal ions are largely determined by the type and amount of surface adsorption sites. However, the effects of substructure variance in manganese oxide on the adsorption sites and adsorption characteristics remain unclear. Adsorption experiments and powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) were combined to examine the adsorption characteristics of Pb2+, Cu2+, Zn2+ and Cd2+ sequestration by birnessites with different Mn average oxidation state (AOS), and the Mn AOS dependent adsorption sites and adsorption characteristics. The results show that the maximum adsorption capacity of Pb2+, Cu2+, Zn2+ and Cd2+ increased with increasing birnessite Mn AOS. The adsorption capacity followed the order of Pb2+ > Cu2+ > Zn2+ > Cd2+. The observations suggest that there exist two sites on the surface of birnessite, i. e., high-binding-energy site (HBE site) and low-binding-energy site (LBE site). With the increase of Mn AOS for birnessites, the amount of HBE sites for heavy metal ions adsorption remarkably increased. On the other hand, variation in the amount of LBE sites was insignificant. The amount of LBE sites is much more than those of HBE sites on the surface of birnessite with low Mn AOS. Nevertheless, both amounts on the surface of birnessite with high Mn AOS are very close to each other. Therefore, the heavy metal ions adsorption capacity on birnessite is largely determined by the amount of HBE sites. On birnessite surface, adsorption of Cu2+, Zn2+, and Cd2+ mostly occurred at HBE sites. In comparison with Zn2+ and Cd2+, more Cu2+ adsorbed on the LBW sites. Pb2+ adsorption maybe occupy at both LBE sites and HBE sites simultaneously.
Heavy metal contamination of surface soil in electronic waste dismantling area: site investigation and source-apportionment analysis.

Science.gov (United States)

Jinhui Li; Huabo Duan; Pixing Shi

2011-07-01

The dismantling and disposal of electronic waste (e-waste) in developing countries is causing increasing concern because of its impacts on the environment and risks to human health. Heavy-metal concentrations in the surface soils of Guiyu (Guangdong Province, China) were monitored to determine the status of heavy-metal contamination on e-waste dismantling area with a more than 20 years history. Two metalloids and nine metals were selected for investigation. This paper also attempts to compare the data among a variety of e-waste dismantling areas, after reviewing a number of heavy-metal contamination-related studies in such areas in China over the past decade. In addition, source apportionment of heavy metal in the surface soil of these areas has been analysed. Both the MSW open-burning sites probably contained invaluable e-waste and abandoned sites formerly involved in informal recycling activities are the new sources of soil-based environmental pollution in Guiyu. Although printed circuit board waste is thought to be the main source of heavy-metal emissions during e-waste processing, requirement is necessary to soundly manage the plastic separated from e-waste, which mostly contains heavy metals and other toxic substances.
Redox-active on-surface polymerization of single-site divalent cations from pure metals by a ketone-functionalized phenanthroline

Energy Technology Data Exchange (ETDEWEB)

Skomski, Daniel; Tempas, Christopher D.; Bukowski, Gregory S.; Smith, Kevin A.; Tait, Steven L., E-mail: tait@indiana.edu [Department of Chemistry, Indiana University, 800 E. Kirkwood Ave., Bloomington, Indiana 47405 (United States)

2015-03-14

Metallic iron, chromium, or platinum mixing with a ketone-functionalized phenanthroline ligand on a single crystal gold surface demonstrates redox activity to a well-defined oxidation state and assembly into thermally stable, one dimensional, polymeric chains. The diverging ligand geometry incorporates redox-active sub-units and bi-dentate binding sites. The gold surface provides a stable adsorption environment and directs growth of the polymeric chains, but is inert with regard to the redox chemistry. These systems are characterized by scanning tunnelling microscopy, non-contact atomic force microscopy, and X-ray photoelectron spectroscopy under ultra-high vacuum conditions. The relative propensity of the metals to interact with the ketone group is examined, and it is found that Fe and Cr more readily complex the ligand than Pt. The formation and stabilization of well-defined transition metal single-sites at surfaces may open new routes to achieve higher selectivity in heterogeneous catalysts.
Analyzing relationships between surface perturbations and local chemical reactivity of metal sites: Alkali promotion of O2 dissociation on Ag(111)

Science.gov (United States)

Xin, Hongliang; Linic, Suljo

2016-06-01

Many commercial heterogeneous catalysts are complex structures that contain metal active sites promoted by multiple additives. Developing fundamental understanding about the impact of these perturbations on the local surface reactivity is crucial for catalyst development and optimization. In this contribution, we develop a general framework for identifying underlying mechanisms that control the changes in the surface reactivity of a metal site (more specifically the adsorbate-surface interactions) upon a perturbation in the local environment. This framework allows us to interpret fairly complex interactions on metal surfaces in terms of specific, physically transparent contributions that can be evaluated independently of each other. We use Cs-promoted dissociation of O2 as an example to illustrate our approach. We concluded that the Cs adsorbate affects the outcome of the chemical reaction through a strong alkali-induced electric field interacting with the static dipole moment of the O2/Ag(111) system.
Organochlorines in surface soil at electronic-waste wire burning sites and metal contribution evaluated using quantitative X-ray speciation

International Nuclear Information System (INIS)

Fujimori, Takashi; Takigami, Hidetaka; Takaoka, Masaki

2013-01-01

Heavy metals and toxic chlorinated aromatic compounds (aromatic-Cls) such as dioxins and polychlorinated biphenyls (PCBs) are found at high concentrations and persist in surface soil at wire burning sites (WBSs) in developing countries in which various wire cables are recycled to yield pure metals. Chlorine K-edge near-edge X-ray absorption fine structure (NEXAFS) is used to detect the specific chemical form of Cl and estimate its amount using a spectrum jump in the solid phase. Quantitative X-ray speciation of Cl was applied to study the mechanisms of aromatic-Cls formation in surface soil at WBSs in Southeast Asia. Relationships between aromatic-Cls and chlorides of heavy metals were evaluated because heavy metals are promoters of the thermochemical solid-phase formation of aromatic-Cls.
Organochlorines in surface soil at electronic-waste wire burning sites and metal contribution evaluated using quantitative X-ray speciation

Science.gov (United States)

Fujimori, Takashi; Takigami, Hidetaka; Takaoka, Masaki

2013-04-01

Heavy metals and toxic chlorinated aromatic compounds (aromatic-Cls) such as dioxins and polychlorinated biphenyls (PCBs) are found at high concentrations and persist in surface soil at wire burning sites (WBSs) in developing countries in which various wire cables are recycled to yield pure metals. Chlorine K-edge near-edge X-ray absorption fine structure (NEXAFS) is used to detect the specific chemical form of Cl and estimate its amount using a spectrum jump in the solid phase. Quantitative X-ray speciation of Cl was applied to study the mechanisms of aromatic-Cls formation in surface soil at WBSs in Southeast Asia. Relationships between aromatic-Cls and chlorides of heavy metals were evaluated because heavy metals are promoters of the thermochemical solid-phase formation of aromatic-Cls.
Adsorption and migration of single metal atoms on the calcite (10.4) surface

International Nuclear Information System (INIS)

Pinto, H; Haapasilta, V; Lokhandwala, M; Foster, Adam S; Öberg, S

2017-01-01

Transition metal atoms are one of the key ingredients in the formation of functional 2D metal organic coordination networks. Additionally, the co-deposition of metal atoms can play an important role in anchoring the molecular structures to the surface at room temperature. To gain control of such processes requires the understanding of adsorption and diffusion properties of the different transition metals on the target surface. Here, we used density functional theory to investigate the adsorption of 3 d (Ti, Cr, Fe, Ni, Cu), 4 d (Zr, Nb, Mo, Pd, Ag) and 5 d (Hf, W, Ir, Pt, Au) transition metal adatoms on the insulating calcite (10.4) surface. We identified the most stable adsorption sites and calculated binding energies and corresponding ground state structures. We find that the preferential adsorption sites are the Ca–Ca bridge sites. Apart from the Cr, Mo, Cu, Ag and Au all the studied metals bind strongly to the calcite surface. The calculated migration barriers for the representative Ag and Fe atoms indicates that the metal adatoms are mobile on the calcite surface at room temperature. Bader analysis suggests that there is no significant charge transfer between the metal adatoms and the calcite surface. (paper)
Risk assessing heavy metals in the groundwater-surface water interface at a contaminated site

DEFF Research Database (Denmark)

Bigi, Giovanni; McKnight, Ursula S.; Bjerg, Poul Løgstrup

such as surface water and groundwater (EC, 2017). The current study quantified and assessed the contamination of As, Cd, Cr, Cu, Ni, Pb and Zn in the shallow aquifer, hyporheic zone, stream water and streambed sediments at Rådvad site, a former metal manufacturing industrial area located in Denmark, investigating...... in the soil). Stream water was sampled in 12 points, while groundwater was sampled in 4 wells close to the stream where the interaction was suspected. Sediments and hyporheic zone were sampled in pair, where upward hydraulic heads have been detected. A drain discharging in the river was also sampled....... Sediments were divided in different layers and both heavy metal total concentration and chemical partitioning were analysed. Redox species and dissolved organic matter were also analysed in the water samples, while fraction of organic carbon was investigated in the extracted sediments. Results showed a high...
Local Chemical Reactivity of a Metal Alloy Surface

DEFF Research Database (Denmark)

Hammer, Bjørk; Scheffler, Matthias

1995-01-01

The chemical reactivity of a metal alloy surface is studied by density functional theory investigating the interaction of H2 with NiAl(110). The energy barrier for H2 dissociation is largely different over the Al and Ni sites without, however, reflecting the barriers over the single component metal...
Single-site catalyst promoters accelerate metal-catalyzed nitroarene hydrogenation

KAUST Repository

Wang, Liang

2018-04-04

Atomically dispersed supported metal catalysts are drawing wide attention because of the opportunities they offer for new catalytic properties combined with efficient use of the metals. We extend this class of materials to catalysts that incorporate atomically dispersed metal atoms as promoters. The catalysts are used for the challenging nitroarene hydrogenation and found to have both high activity and selectivity. The promoters are single-site Sn on TiO2 supports that incorporate metal nanoparticle catalysts. Represented as M/Sn-TiO2 (M = Au, Ru, Pt, Ni), these catalysts decidedly outperform the unpromoted supported metals, even for hydrogenation of nitroarenes substituted with various reducible groups. The high activity and selectivity of these catalysts result from the creation of oxygen vacancies on the TiO2 surface by single-site Sn, which leads to efficient, selective activation of the nitro group coupled with a reaction involving hydrogen atoms activated on metal nanoparticles.
Single-site catalyst promoters accelerate metal-catalyzed nitroarene hydrogenation

KAUST Repository

Wang, Liang; Guan, Erjia; Zhang, Jian; Yang, Junhao; Zhu, Yihan; Han, Yu; Yang, Ming; Cen, Cheng; Fu, Gang; Gates, Bruce C.; Xiao, Feng-Shou

2018-01-01

Atomically dispersed supported metal catalysts are drawing wide attention because of the opportunities they offer for new catalytic properties combined with efficient use of the metals. We extend this class of materials to catalysts that incorporate atomically dispersed metal atoms as promoters. The catalysts are used for the challenging nitroarene hydrogenation and found to have both high activity and selectivity. The promoters are single-site Sn on TiO2 supports that incorporate metal nanoparticle catalysts. Represented as M/Sn-TiO2 (M = Au, Ru, Pt, Ni), these catalysts decidedly outperform the unpromoted supported metals, even for hydrogenation of nitroarenes substituted with various reducible groups. The high activity and selectivity of these catalysts result from the creation of oxygen vacancies on the TiO2 surface by single-site Sn, which leads to efficient, selective activation of the nitro group coupled with a reaction involving hydrogen atoms activated on metal nanoparticles.
Heavy metal contamination of soil and water in the vicinity of an abandoned e-waste recycling site: implications for dissemination of heavy metals.

Science.gov (United States)

Wu, Qihang; Leung, Jonathan Y S; Geng, Xinhua; Chen, Shejun; Huang, Xuexia; Li, Haiyan; Huang, Zhuying; Zhu, Libin; Chen, Jiahao; Lu, Yayin

2015-02-15

Illegal e-waste recycling activity has caused heavy metal pollution in many developing countries, including China. In recent years, the Chinese government has strengthened enforcement to impede such activity; however, the heavy metals remaining in the abandoned e-waste recycling site can still pose ecological risk. The present study aimed to investigate the concentrations of heavy metals in soil and water in the vicinity of an abandoned e-waste recycling site in Longtang, South China. Results showed that the surface soil of the former burning and acid-leaching sites was still heavily contaminated with Cd (>0.39 mg kg(-1)) and Cu (>1981 mg kg(-1)), which exceeded their respective guideline levels. The concentration of heavy metals generally decreased with depth in both burning site and paddy field, which is related to the elevated pH and reduced TOM along the depth gradient. The pond water was seriously acidified and contaminated with heavy metals, while the well water was slightly contaminated since heavy metals were mostly retained in the surface soil. The use of pond water for irrigation resulted in considerable heavy metal contamination in the paddy soil. Compared with previous studies, the reduced heavy metal concentrations in the surface soil imply that heavy metals were transported to the other areas, such as pond. Therefore, immediate remediation of the contaminated soil and water is necessary to prevent dissemination of heavy metals and potential ecological disaster. Copyright © 2014 Elsevier B.V. All rights reserved.
Computational studies of experimentally observed structures of sulfur on metal surfaces

Energy Technology Data Exchange (ETDEWEB)

Alfonso, Dominic

2011-09-01

First-principles electronic structure calculations were carried out to examine the experimentally observed structures of sulfur on close packed surfaces of a number of important metals - Ag(111), Cu(111), Ni(111), Pt(111), Rh(111), Re(0001) and Ru(0001). At low coverages ({le} 1/3 ML), the prediction is consistent with the typical pattern of preferred sulfur occupancy of threefold hollow sites, notably the fcc site on the (111) surfaces and the hcp site on the (0001) surfaces. Theoretical confirmation for the existence of pure sulfur overlayer phases on Pt(111), Rh(111), Re(0001) and Ru(0001) at higher coverages (> 1/3 ML) was provided. For the ({radical}7 x {radical}7) phase seen on Ag(111), the most preferred structure identified for adsorbed S trimer consists of an S atom on the top site bonded to two S atoms situated on the nearest neighbor off-bridge site positions. Among the different densely packed mixed sulfur-metal overlayer models suggested for the ({radical}7 x {radical}7) phase on Cu(111), the structure which consists of metal and S atoms in a hexagonal-like arrangement on the top substrate was found to be the most energetically favorable. For the (5{radical}3 x 2) phase on Ni(111), the calculations confirm the existence of clock-reconstructed top layer metal atoms onto which sulfur atoms are adsorbed.
Heavy metals uptake by sonicated activated sludge: Relation with floc surface properties

International Nuclear Information System (INIS)

Laurent, Julien; Casellas, Magali; Dagot, Christophe

2009-01-01

The effects of sonication of activated sludge on heavy metal uptake were in a first time investigated in respect with potential modifications of floc surface properties. The treatment led to the simultaneous increase of specific surface area and of the availability of negative and/or hydrophilic sites. In parallel, organic matter was released in the soluble fraction. Sorption isotherms of cadmium and copper showed that uptake characteristics and mechanisms were highly dependent on both heavy metal species and specific energy supplied. The increase of both specific surface area and fixation sites availability led to the increase of Cd(II) uptake. For Cu(II), organic matter released in soluble phase during the treatment seemed to act as a ligand and to limit adsorption on flocs surface. Three different heavy metals uptake mechanisms have been identified: proton exchange, ion exchange and (co)precipitation
Microbial characterization of a radionuclide- and metal-contaminated waste site

International Nuclear Information System (INIS)

Bolton, H. Jr.; Lumppio, H.L.; Ainsworth, C.C.; Plymale, A.E.

1993-04-01

The operation of nuclear processing facilities and defense-related nuclear activities has resulted in contamination of near-surface and deep-subsurface sediments with both radionuclides and metals. The presence of mixed inorganic contaminants may result in undetectable microbial populations or microbial populations that are different from those present in uncontaminated sediments. To determine the impact of mixed radionuclide and metal contaminants on sediment microbial communities, we sampled a processing pond that was used from 1948 to 1975 for the disposal of radioactive and metal-contaminated wastewaters from laboratories and nuclear fuel fabrication facilities on the Hanford Site in Washington State. Because the Hanford Site is located in a semiarid environment with average rainfall of 159 mm/year, the pond dried and a settling basin remained after wastewater input into the pond ceased in 1975. This processing pond basin offered a unique opportunity to obtain near-surface sediments that had been contaminated with both radionuclides and metals for several decades. Our objectives were to determine the viable populations of microorganisms in the sediments and to test several hypotheses about how the addition of both radionuclides and metals influenced the microbial ecology of the sediments. Our first hypothesis was that viable populations of microorganisms would be lower in the more contaminated sediments. Second, we expected that long-term metal exposure would result in enhanced metal resistance. Finally, we hypothesized that microorganisms from the most radioactive sediments should have had enhanced radiation resistance
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.
Single site porphyrine-like structures advantages over metals for selective electrochemical CO2 reduction

DEFF Research Database (Denmark)

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

2017-01-01

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

DEFF Research Database (Denmark)

Nørskov, Jens Kehlet; Bligaard, Thomas; Larsen, Britt Hvolbæk

2008-01-01

This tutorial review, of relevance for the surface science and heterogeneous catalysis communities, provides a molecular-level discussion of the nature of the active sites in metal catalysis. Fundamental concepts such as "Bronsted-Evans-Polanyi relations'' and "volcano curves'' are introduced...

Spectroscopic link between adsorption site occupation and local surface chemical reactivity

DEFF Research Database (Denmark)

Baraldi, A.; Lizzit, S.; Comelli, G.

2004-01-01

rules, from which adsorption sites are directly determined. Theoretical calculations rationalize the results for transition metal surfaces in terms of the energy shift of the d-band center of mass and this proves that adsorbate-induced SCL shifts provide a spectroscopic measure of local surface...
Spatial distribution of heavy metals in the surface soil of source-control stormwater infiltration devices - Inter-site comparison.

Science.gov (United States)

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

2017-02-01

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

DEFF Research Database (Denmark)

Tritsaris, G. A.; Rossmeisl, J.

2012-01-01

Direct methanol fuel cells are a key enabling technology for clean energy conversion. Using density functional theory calculations, we study the methanol oxidation reaction on model electrodes. We discuss trends in reactivity for a set of monometallic and bimetallic transition metal surfaces, flat...... sites on the surface and to screen for novel bimetallic surfaces of enhanced activity. We suggest platinum copper surfaces as promising anode catalysts for direct methanol fuel cells....
Impact of metals in surface matrices from formal and informal electronic-waste recycling around Metro Manila, the Philippines, and intra-Asian comparison

International Nuclear Information System (INIS)

Fujimori, Takashi; Takigami, Hidetaka; Agusa, Tetsuro; Eguchi, Akifumi; Bekki, Kanae; Yoshida, Aya; Terazono, Atsushi; Ballesteros, Florencio C.

2012-01-01

Highlights: ► We quantified 11 metals in surface matrices from e-waste recycling sites at the Philippines. ► Dust had statistical higher levels of metal contamination and health risk compared to soil. ► Formal and informal sites had different metal contaminations. ► Intra-Asian comparison provided common insight on metal contamination from e-waste recycling. - Abstract: We report concentrations, enrichment factors, and hazard indicators of 11 metals (Ag, As, Cd, Co, Cu, Fe, In, Mn, Ni, Pb, and Zn) in soil and dust surface matrices from formal and informal electronic waste (e-waste) recycling sites around Metro Manila, the Philippines, referring to soil guidelines and previous data from various e-waste recycling sites in Asia. Surface dust from e-waste recycling sites had higher levels of metal contamination than surface soil. Comparison of formal and informal e-waste recycling sites (hereafter, “formal” and “informal”) revealed differences in specific contaminants. Formal dust contained a mixture of serious pollutant metals (Ni, Cu, Pb, and Zn) and Cd (polluted modestly), quite high enrichment metals (Ag and In), and crust-derived metals (As, Co, Fe, and Mn). For informal soil, concentration levels of specific metals (Cd, Co, Cu, Mn, Ni, Pb, and Zn) were similar among Asian recycling sites. Formal dust had significantly higher hazardous risk than the other matrices (p < 0.005), excluding informal dust (p = 0.059, almost significant difference). Thus, workers exposed to formal dust should protect themselves from hazardous toxic metals (Pb and Cu). There is also a high health risk for children ingesting surface matrices from informal e-waste recycling sites.
Corrosion-resistant metal surfaces

Science.gov (United States)

Sugama, Toshifumi [Wading River, NY

2009-03-24

The present invention relates to metal surfaces having thereon an ultrathin (e.g., less than ten nanometer thickness) corrosion-resistant film, thereby rendering the metal surfaces corrosion-resistant. The corrosion-resistant film includes an at least partially crosslinked amido-functionalized silanol component in combination with rare-earth metal oxide nanoparticles. The invention also relates to methods for producing such corrosion-resistant films.
Pb, Cu, and Zn distributions at humic acid-coated metal-oxide surfaces

Science.gov (United States)

Wang, Yingge; Michel, F. Marc; Choi, Yongseong; Eng, Peter J.; Levard, Clement; Siebner, Hagar; Gu, Baohua; Bargar, John R.; Brown, Gordon E.

2016-09-01

Mineral surfaces are often coated by natural organic matter (NOM), which has a major influence on metal-ion sorption and sequestration because of the abundance of binding sites in such coatings and the changes they cause in local nanoscale environments. The effects of NOM coatings on mineral surfaces are, however, still poorly understood at the molecular level due to the complexity of these systems. In this study, we have applied long-period X-ray standing wave-fluorescence yield (LP-XSW-FY) spectroscopy to measure the partitioning of naturally present Cu(II) (0.0226%), Zn(II) (0.009%), and Pb(II) (∼0.0004%) between Elliott Soil Humic Acid (ESHA) coatings and three model single-crystal metal-oxide substrates: α-Al2O3 (0 0 0 1), α-Al2O3 (1 -1 0 2), and α-Fe2O3 (0 0 0 1). The competitive sorption effects among these metal ions for binding sites in the ESHA coatings and on the metal-oxide surfaces were investigated as a function of reaction time, calcium content, and solution pH. Pb(II) ions present in the ESHA coatings were found to redistribute to reactive α-Al2O3 (1 -1 0 2) and α-Fe2O3 (0 0 0 1) surfaces after 3 h of reaction (pH = 6.0, [Ca(II)] = 2 mM). Pb(II) partitioning onto these reactive metal-oxide surfaces increased with increasing reaction time (up to 7 d). In addition, the partitioning of Cu(II) and Zn(II) from the ESHA coating to the α-Fe2O3 (0 0 0 1) substrate increased slightly with reaction time (2.4% and 3.7% for Cu(II) and Zn(II), respectively, after 3 h and 6.4% and 7.7% for Cu(II) and Zn(II), respectively, after 72 h of reaction time). However, no changes in the partitioning of Cu(II) and Zn(II) onto the α-Al2O3 (1 -1 0 2) surface were observed with increasing reaction time, suggesting that these ions strongly complex with functional groups in the ESHA coatings. Similar results were obtained for Cu(II) and Zn(II) on the ESHA-coated α-Al2O3 (1 -1 0 2) surfaces in samples without the addition of calcium. However, the amounts of Pb
Fluoride adsorption on goethite in relation to different types of surface sites

NARCIS (Netherlands)

Hiemstra, T.; Riemsdijk, van W.H.

2000-01-01

Metal (hydr)oxides have different types of surface groups. Fluoride ions have been used as a probe to assess the number of surface sites. We have studied the F− adsorption on goethite by measuring the F− and H interaction and F− adsorption isotherms. Fluoride ions exchange against singly coordinated
Are Vicinal Metal Surfaces Stable?

DEFF Research Database (Denmark)

Frenken, J. W. M.; Stoltze, Per

1999-01-01

We use effective medium theory to demonstrate that the energies of many metal surfaces are lowered when these surfaces are replaced by facets with lower-index orientations. This implies that the low-temperature equilibrium shapes of many metal crystals should be heavily faceted. The predicted...... instability of vicinal metal surfaces is at variance with the almost generally observed stability of these surfaces. We argue that the unstable orientations undergo a defaceting transition at relatively low temperatures, driven by the high vibrational entropy of steps....
Surface sites on carbon-supported Ru, Co and Ni nanoparticles as determined by microcalorimetry of CO adsorption

International Nuclear Information System (INIS)

Cerro-Alarcon, M.; Maroto-Valiente, A.; Rodriguez-Ramos, I.; Guerrero-Ruiz, A.

2005-01-01

The adsorption of CO on carbon-supported metal (Ru, Co and Ni) catalysts was studied by microcalorimetry. A correlation of the results thus obtained with those reported for monocrystals or with other studies available in the scientific literature for supported metal catalysts, including infrared spectroscopy data, enables the determination of the type of exposed crystalline planes and/or of the different types of CO adsorbed species. The results obtained suggest that the energetic distribution of the surface sites depends on the carbon support material and on the applied reduction treatment. In this way, the use of a high surface area graphite (clean of surface oxygen groups) leads to an electron density enrichment on the small metal particles (Ru) and, in general, to a higher heterogeneity of the active surface sites. The elimination of surface oxygen functional groups (with the reduction treatment at the higher temperature) of the carbon molecular sieve support leads to changes in the surface structure of the metal particles and, consequently, to higher CO adsorption heats, particularly for Ru and Co
Surface/structure functionalization of copper-based catalysts by metal-support and/or metal–metal interactions

Energy Technology Data Exchange (ETDEWEB)

Konsolakis, Michalis, E-mail: mkonsol@science.tuc.gr [School of Production Engineering and Management, Technical University of Crete, GR-73100 Chania, Crete (Greece); Ioakeimidis, Zisis [Department of Mechanical Engineering, University of Western Macedonia, Bakola and Sialvera, GR-50100 Kozani (Greece)

2014-11-30

Highlights: • The surface chemistry of Cu-based catalysts is adjusted by metal-support or metal–metal interactions. • Three series of catalysts, i.e., Cu/REOs, Cu/Ce{sub 1−x}Sm{sub x}O{sub δ} and Cu–Co/CeO{sub 2} were prepared. • The local structure of Cu sites is remarkably affected by support or active phase modification. • Useful insights toward the fundamental understanding of Cu-catalyzed reactions are provided. - Abstract: Cu-based catalysts have recently attracted great attention both in catalysis and electro-catalysis fields due to their excellent catalytic performance and low cost. Given that their performance is determined, to a great extent, by Cu sites local environment, considerable efforts have been devoted on the strategic modifications of the electronic and structural properties of Cu sites. In this regard, the feasibility of tuning the local structure of Cu entities by means of metal-support or metal–metal interactions is investigated. More specifically, the physicochemical properties of Cu entities are modified by employing: (i) different oxides (CeO{sub 2}, La{sub 2}O{sub 3}, Sm{sub 2}O{sub 3}), or (ii) ceria-based mixed oxides (Ce{sub 1−x}Sm{sub x}O{sub δ}) as supporting carriers, and (iii) a second metal (Cobalt) adjacent to Cu (bimetallic Cu–Co/CeO{sub 2}). A characterization study, involving BET, XRD, TPR, and XPS, reveal that significant modifications on structural, redox and electronic properties of Cu sites can be induced by adopting either different oxide carriers or bimetallic complexes. Fundamental insights into the tuning of Cu local environment by metal-support or metal–metal interactions are provided, paving the way for real-life industrial applications.
Interaction of hydrogen and oxygen with bulk defects and surfaces of metals

International Nuclear Information System (INIS)

Besenbacher, F.

1994-05-01

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

Energy Technology Data Exchange (ETDEWEB)

Zhu, Wei [Univ. of New Mexico, Albuquerque, NM (United States); Xiang, Guolei [Univ. of Cambridge (United Kingdom); Shang, Jin [Univ. of Hong Kong (China); Guo, Jimin [Univ. of New Mexico, Albuquerque, NM (United States); Motevalli, Benyamin [Monash Univ., Clayton, VIC (Australia); Durfee, Paul [Univ. of New Mexico, Albuquerque, NM (United States); Agola, Jacob Ongudi [Univ. of New Mexico, Albuquerque, NM (United States); Coker, Eric N. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Brinker, C. Jeffrey [Univ. of New Mexico, Albuquerque, NM (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2018-02-22

Here, a novel strategy for the versatile functionalization of the external surface of metal-organic frameworks (MOFs) has been developed based on the direct coordination of a phenolic-inspired lipid molecule DPGG (1,2-dipalmitoyl-sn-glycero-3-galloyl) with metal nodes/sites surrounding MOF surface. X-ray diffraction and Argon sorption analysis prove that the modified MOF particles retain their structural integrity and porosity after surface modification. Density functional theory calculations reveal that strong chelation strength between the metal sites and the galloyl head group of DPGG is the basic prerequisite for successful coating. Due to the pH-responsive nature of metal-phenol complexation, the modification process is reversible by simple washing in weak acidic water, showing an excellent regeneration ability for water-stable MOFs. Moreover, the colloidal stability of the modified MOFs in the nonpolar solvent allows them to be further organized into 2 dimensional MOF or MOF/polymer monolayers by evaporation-induced interfacial assembly conducted on an air/water interface. Lastly, the easy fusion of a second functional layer onto DPGG-modified MOF cores, enabled a series of MOF-based functional nanoarchitectures, such as MOFs encapsulated within hybrid supported lipid bilayers (so-called protocells), polyhedral core-shell structures, hybrid lipid-modified-plasmonic vesicles and multicomponent supraparticles with target functionalities, to be generated. for a wide range of applications.
Bioinspired surface functionalization of metallic biomaterials.

Science.gov (United States)

Su, Yingchao; Luo, Cheng; Zhang, Zhihui; Hermawan, Hendra; Zhu, Donghui; Huang, Jubin; Liang, Yunhong; Li, Guangyu; Ren, Luquan

2018-01-01

Metallic biomaterials are widely used for clinical applications because of their excellent mechanical properties and good durability. In order to provide essential biofunctionalities, surface functionalization is of particular interest and requirement in the development of high-performance metallic implants. Inspired by the functional surface of natural biological systems, many new designs and conceptions have recently emerged to create multifunctional surfaces with great potential for biomedical applications. This review firstly introduces the metallic biomaterials, important surface properties, and then elaborates some strategies on achieving the bioinspired surface functionalization for metallic biomaterials. Copyright © 2017 Elsevier Ltd. All rights reserved.
Pollution characteristics and ecological risk assessment of heavy metals in the surface sediments from a source water reservoir

Directory of Open Access Journals (Sweden)

Changming Yang

2016-10-01

Full Text Available Surface sediment samples were collected from a source water reservoir in Zhejiang Province, East of China to investigate pollution characteristics and potential ecological risk of heavy metals. The BCR sequential extraction method was used to determine the four chemical fractions of heavy metals such as acid soluble, easily reducible, easily oxidizable and residual fractions. The heavy metals pollution and potential ecological risk were evaluated systematically using geoaccumulation index (Igeo and Hakanson potential ecological risk index (H′. The results showed that the sampling sites from the estuaries of tributary flowing through downtowns and heavy industrial parks showed significantly (p < 0.05 higher average concentrations of heavy metals in the surface sediments, as compared to the other sampling sites. Chemical fractionation showed that Mn existed mainly in acid extractable fraction, Cu and Pb were mainly in reducible fraction, and As existed mainly in residual fraction in the surface sediments despite sampling sites. The sampling sites from the estuary of tributary flowing through downtown showed significantly (p < 0.05 higher proportions of acid extractable and reducible fractions than the other sampling sites, which would pose a potential toxic risk to aquatic organisms as well as a potential threat to drinking water safety. As, Pb, Ni and Cu were at relatively high potential ecological risk with high Igeo values for some sampling locations. Hakanson potential ecological risk index (H′ showed the surface sediments from the tributary estuaries with high population density and rapid industrial development showed significantly (p < 0.05 higher heavy metal pollution levels and potential ecological risk in the surface sediments, as compared to the other sampling sites.
Stabilized Lithium-Metal Surface in a Polysulfide-Rich Environment of Lithium-Sulfur Batteries.

Science.gov (United States)

Zu, Chenxi; Manthiram, Arumugam

2014-08-07

Lithium-metal anode degradation is one of the major challenges of lithium-sulfur (Li-S) batteries, hindering their practical utility as next-generation rechargeable battery chemistry. The polysulfide migration and shuttling associated with Li-S batteries can induce heterogeneities of the lithium-metal surface because it causes passivation by bulk insulating Li2S particles/electrolyte decomposition products on a lithium-metal surface. This promotes lithium dendrite formation and leads to poor lithium cycling efficiency with complicated lithium surface chemistry. Here, we show copper acetate as a surface stabilizer for lithium metal in a polysulfide-rich environment of Li-S batteries. The lithium surface is protected from parasitic reactions with the organic electrolyte and the migrating polysulfides by an in situ chemical formation of a passivation film consisting of mainly Li2S/Li2S2/CuS/Cu2S and electrolyte decomposition products. This passivation film also suppresses lithium dendrite formation by controlling the lithium deposition sites, leading to a stabilized lithium surface characterized by a dendrite-free morphology and improved surface chemistry.
Surface Finish after Laser Metal Deposition

Science.gov (United States)

Rombouts, M.; Maes, G.; Hendrix, W.; Delarbre, E.; Motmans, F.

Laser metal deposition (LMD) is an additive manufacturing technology for the fabrication of metal parts through layerwise deposition and laser induced melting of metal powder. The poor surface finish presents a major limitation in LMD. This study focuses on the effects of surface inclination angle and strategies to improve the surface finish of LMD components. A substantial improvement in surface quality of both the side and top surfaces has been obtained by laser remelting after powder deposition.
Communication: Methane dissociation on Ni(111) surface: Importance of azimuth and surface impact site

International Nuclear Information System (INIS)

Shen, Xiangjian; Zhang, Zhaojun; Zhang, Dong H.

2016-01-01

Understanding the role of reactant ro-vibrational degrees of freedom (DOFs) in reaction dynamics of polyatomic molecular dissociation on metal surfaces is of great importance to explore the complex chemical reaction mechanism. Here, we present an expensive quantum dynamics study of the dissociative chemisorption of CH 4 on a rigid Ni(111) surface by developing an accurate nine-dimensional quantum dynamical model including the DOF of azimuth. Based on a highly accurate fifteen-dimensional potential energy surface built from first principles, our simulations elucidate that the dissociation probability of CH 4 has the strong dependence on azimuth and surface impact site. Some improvements are suggested to obtain the accurate dissociation probability from quantum dynamics simulations.
Site preference of metal atoms in Gd_5_-_xM_xTt_4 (M = Zr, Hf; Tt = Si, Ge)

International Nuclear Information System (INIS)

Yao, Jinlei; Mozharivskyj, Yurij

2011-01-01

Zirconium and hafnium were incorporated into the Gd_5Ge_4 and Gd_5Si_4 parent compounds in order to study the metal-site occupation in the M_5X_4 magnetocaloric phases (M = metals; X = p elements) family. The Gd_5_-_xZr_xGe_4 phases adopt the orthorhombic Sm_5Ge_4-type (space group Pnma) structure for x ≤ 1.49 and the tetragonal Zr_5Si_4-type (P4_12_12) structure for x ≥ 1.77. The Gd_5_-_xHf_xSi_4 compounds crystallize in the orthorhombic Gd_5Si_4-type (Pnma) structure for x ≤ 0.41 and the Zr_5Si_4-type structure for x ≥ 0.7. In both systems, single-crystal X-ray diffraction reveals that the Zr/Hf atoms preferentially occupy the slab-surface M2 and slab-center M3 sites, both of which have a significantly larger Zr/Hf population than the slab-surface M1 site. The metal-site preference, i.e. the coloring problem on the three metal sites, is discussed considering geometric and electronic effects of the local coordination environments. The analysis of the metal-site occupation in Gd_5_-_xZr_xGe_4 and Gd_5_-_xHf_xSi_4 as well as other metal-substituted M_5X_4 systems suggests that both geometric and electronic effects can be used to explain the metal-site occupation. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
The role of van der Waals interactions in the adsorption of noble gases on metal surfaces

Energy Technology Data Exchange (ETDEWEB)

Chen, De-Li; Al-Saidi, W A; Johnson, J Karl

2012-10-03

Adsorption of noble gases on metal surfaces is determined by weak interactions. We applied two versions of the nonlocal van der Waals density functional (vdW-DF) to compute adsorption energies of Ar, Kr, and Xe on Pt(111), Pd(111), Cu(111), and Cu(110) metal surfaces. We have compared our results with data obtained using other density functional approaches, including the semiempirical vdW corrected DFT-D2. The vdW-DF results show considerable improvements in the description of adsorption energies and equilibrium distances over other DFTbased methods, giving good agreement with experiments. We have also calculated perpendicular vibrational energies for noble gases on the metal surfaces using vdWDF data and found excellent agreement with available experimental results. Our vdW-DF calculations show that adsorption of noble gases on low-coordination sites is energetically favored over high-coordination sites, but only by a few meV. Analysis of the 2-dimensional potential energy surface shows that the high-coordination sites are local maxima on the 2-dimensional potential energy surface and therefore unlikely to be observed in experiments, which provides an explanation of the experimental observations. The DFT-D2 approach with the standard parameterization was found to overestimate the dispersion interactions, and to give the wrong adsorption site preference for four of the nine systems we studied.
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.

Novel metal ion surface modification technique

International Nuclear Information System (INIS)

Brown, I.G.; Godechot, X.; Yu, K.M.

1990-10-01

We describe a method for applying metal ions to the near-surface region of solid materials. The added species can be energetically implanted below the surface or built up as a surface film with an atomically mixed interface with the substrate; the metal ion species can be the same as the substrate species or different from it, and more than one kind of metal species can be applied, either simultaneously or sequentially. Surface structures can be fabricated, including coatings and thin films of single metals, tailored alloys, or metallic multilayers, and they can be implanted or added onto the surface and ion beam mixed. We report two simple demonstrations of the method: implantation of yttrium into a silicon substrate at a mean energy of 70 keV and a dose of 1 x 10 16 atoms/cm 2 , and the formation of a titanium-yttrium multilayer structure with ion beam mixing to the substrate. 17 refs., 3 figs
Ultralow contact resistance at an epitaxial metal/oxide heterojunction through interstitial site doping.

Science.gov (United States)

Chambers, Scott A; Gu, Meng; Sushko, Peter V; Yang, Hao; Wang, Chongmin; Browning, Nigel D

2013-08-07

Heteroepitaxial growth of Cr metal on Nb-doped SrTiO₃(001) is accompanied by Cr diffusion to interstitial sites within the first few atomic planes, an anchoring of the Cr film to the substrate, charge transfer from Cr to Ti, and metallization of the near-surface region, as depicted in the figure. The contact resistance of the resulting interface is exceedingly low. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Metal Recovery and Preconcentration by Edta and Dtpa Modified Silica Surfaces

Directory of Open Access Journals (Sweden)

Eveliina Repo

2017-03-01

Full Text Available This study focuses on the adsorption and preconcentration of various metals by silica gel surfaces modified with aminopolycarboxylic acids namely ethylenediaminetetraacetic acid or diethylenetriamine-pentaacetic acid. The adsorption performance of the studied materials was determined in mixed metal solutions and the adsorption isotherm studies were conducted for cobalt, nickel, cadmium, and lead. The results were modeled using various theoretical isotherm equations, which suggested that two different adsorption sites were involved in metal removal although lead showed clearly different adsorption behavior attributed to its lowest hydration tendency. Efficient regeneration of the adsorbents and preconcentration of metals was conducted with nitric acid. Results indicated that the metals under study could be analyzed rather accurately after preconcentration from both pure, saline and ground water samples.
[Pollution characteristics and ecological risk assessment of heavy metals in surface sediments of Qingshan Reservoir in Lin' an City, Zhejiang Province of East China].

Science.gov (United States)

Zhang, Fen; Yang, Chang-Ming; Pan, Rui-Jie

2013-09-01

A total of 8 representative surface sediment sampling sites were collected from the Qingshan Reservoir in Lin'an City of Zhejiang Province to investigate the differences in the total concentrations of As, Cr, Cu, Ni, Mn, Pb, and Zn among the sampling sites. The different forms of the heavy metals, i. e., acid soluble, easily reducible, easily oxidizable, and residual, were determined by BCR sequential extraction method, and the pollution degrees and potential ecological risk, of the heavy metals in the surface sediments at different sampling sites of the Reservoir were assessed by using geo-accumulation index (I(geo)) and Hakanson potential ecological risk index. There existed obvious spatial differences in the total concentrations of the heavy metals in the surface sediments of the Reservoir. The sampling sites nearby the estuaries of the tributaries flowing through downtowns and heavy industrial parks to the Reservoir had obviously higher heavy metals concentrations in surface sediments, as compared to the other sampling sites. In the sediments, Mn was mainly in acid extractable form, Cu and Pb were mainly in reducible form, and As was mainly in residual form. The surface sediments at the sampling sites nearby the estuaries of the tributaries flowing through downtowns to the Reservoir had higher proportions of acid extractable and reducibles forms of the heavy metals, which would have definite potential toxic risk to aquatic organisms. Among the 7 heavy metals in the surface sediments, As showed the highest pollution degree, followed by Cu, Ni, Mn, Pb, and Zn, which were at moderate pollution degree, while Cr was at non-pollution degree, with relatively low potential ecological risk. Through the comparison of the sampling sites, it was observed that the surface sediments at the sites nearby the estuaries of Jinxi River and Hengxi River flowing through downtowns and heavy industrial parks to the Reservoir showed obviously higher heavy metals pollution degree and
Evolution of Metal(Loid) Binding Sites in Transcriptional Regulators

Energy Technology Data Exchange (ETDEWEB)

Ordonez, E.; Thiyagarajan, S.; Cook, J.D.; Stemmler, T.L.; Gil, J.A.; Mateos, L.M.; Rosen, B.P.

2009-05-22

Expression of the genes for resistance to heavy metals and metalloids is transcriptionally regulated by the toxic ions themselves. Members of the ArsR/SmtB family of small metalloregulatory proteins respond to transition metals, heavy metals, and metalloids, including As(III), Sb(III), Cd(II), Pb(II), Zn(II), Co(II), and Ni(II). These homodimeric repressors bind to DNA in the absence of inducing metal(loid) ion and dissociate from the DNA when inducer is bound. The regulatory sites are often three- or four-coordinate metal binding sites composed of cysteine thiolates. Surprisingly, in two different As(III)-responsive regulators, the metalloid binding sites were in different locations in the repressor, and the Cd(II) binding sites were in two different locations in two Cd(II)-responsive regulators. We hypothesize that ArsR/SmtB repressors have a common backbone structure, that of a winged helix DNA-binding protein, but have considerable plasticity in the location of inducer binding sites. Here we show that an As(III)-responsive member of the family, CgArsR1 from Corynebacterium glutamicum, binds As(III) to a cysteine triad composed of Cys{sup 15}, Cys{sup 16}, and Cys{sup 55}. This binding site is clearly unrelated to the binding sites of other characterized ArsR/SmtB family members. This is consistent with our hypothesis that metal(loid) binding sites in DNA binding proteins evolve convergently in response to persistent environmental pressures.
Site competition on metal surfaces: an electron spectroscopic study of sequential adsorption on W(110)

International Nuclear Information System (INIS)

Steinkilberg, M.; Menzel, D.

1977-01-01

Using UPS and XPS, the sequential adsorption of hydrogen + carbon monoxide, and of hydrogen + oxygen, on W(110) has been studied at room temperature. Adsorption of CO on a H-covered surface is rapid and leads to total displacement of hydrogen. The resulting CO layer however, is different from that formed on the clean surface under identical conditions, in that it consists of a higher percentage of virgin CO, while considerably more β-CO forms on the clean surface. Oxygen does not adsorb on a H-covered surface, nor displace hydrogen. It is concluded that hydrogen most probably occupies the same sites utilized by dissociative adsorption of CO and oxygen, while virgin CO can also occupy different sites; its adsorption can thus lead to interactional weakening of the H-surface bond. (Auth.)
Release of Radioactive Scrap Metal/Scrap Metal (RSM/SM) at Nevada Test Site (NTS)

International Nuclear Information System (INIS)

1993-01-01

Reynolds Electrical and Engineering Company, Inc. (REECo) is the prime contractor to the US Department of Energy (DOE) in providing service and support for NTS operations. Mercury Base Camp is the main control point for the many forward areas at NTS, which covers 1,350 square miles. The forward areas are where above-ground and underground nuclear tests have been performed over the last 41 years. No metal (or other material) is returned to Mercury without first being tested for radioactivity. No radioactive metals are allowed to reenter Mercury from the forward areas, other than testing equipment. RAMATROL is the monitor check point. They check material in various ways, including swipe tests, and have a large assortment of equipment for testing. Scrap metal is also checked to address Resource Conservation and Recovery Act concerns. After addressing these issues, the scrap metals are categorized. Federal Property Management Regulations (FPMR) are followed by REECo. The nonradioactive scrap material is sold through the GSA on a scheduled basis. Radioactive scrap metal are presently held in forward areas where they were used. REECo has gained approval of their Nevada Test Site Defense Waste Acceptance Criteria, Certification, and Transfer Requirements, NVO-325 application, which will allow disposal on site, when RSM is declared a waste. The guideline that REECo uses for release limits is DOE Order 5480.11, Radiation Protection for Occupational Works, Attachment 2, Surface Radioactivity Guides, of this order, give release limits for radioactive materials. However, the removal of radioactive materials from NTS require approval by DOE Nevada Operations Office (DOE/NV) on a case-by-case basis. Requirements to consider before removal are found in DOE Order 5820.2A, Radioactive Waste Management
Adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO surface

KAUST Repository

Yadav, Manoj Kumar

2016-06-16

The adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO(100) surface has been studied employing density functional theory. It is found that all these transition metals (TM) on MgO(100) surface are capable of adsorbing dinitrogen (N2), however there is no dissociative adsorption of N2 on single transition metal dopant. When two TM atoms are doped on MgO(100) surface, dissociative adsorption of dinitrogen occurs in all the three cases. Whether the dissociation is spontaneous or is it associated with activation barrier depends on the orientation of N2 molecule approaching the dopant site.
Conversion of agonist site to metal-ion chelator site in the beta(2)-adrenergic receptor

DEFF Research Database (Denmark)

Elling, C E; Thirstrup, K; Holst, Birgitte

1999-01-01

Previously metal-ion sites have been used as structural and functional probes in seven transmembrane receptors (7TM), but as yet all the engineered sites have been inactivating. Based on presumed agonist interaction points in transmembrane III (TM-III) and -VII of the beta(2)-adrenergic receptor,...... as generic, pharmacologic tools to switch 7TM receptors with engineered metal-ion sites on or off at will.......Previously metal-ion sites have been used as structural and functional probes in seven transmembrane receptors (7TM), but as yet all the engineered sites have been inactivating. Based on presumed agonist interaction points in transmembrane III (TM-III) and -VII of the beta(2)-adrenergic receptor......, in this paper we construct an activating metal-ion site between the amine-binding Asp-113 in TM-III-or a His residue introduced at this position-and a Cys residue substituted for Asn-312 in TM-VII. No increase in constitutive activity was observed in the mutant receptors. Signal transduction was activated...
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.
Theoretical study of adsorption of organic phosphines on transition metal surfaces

Science.gov (United States)

Lou, Shujie; Jiang, Hong

2018-04-01

The adsorption properties of organic phosphines on transition metal (TM) surfaces (Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt, and Au) have been studied to explore the possibility of building novel heterogeneous chiral catalytic systems based on organic phosphines. Preferred adsorption sites, adsorption energies and surface electronic structures of a selected set of typical organic phosphines adsorbed on TM surfaces are calculated with density-functional theory to obtain a systematic understanding on the nature of adsorption interactions. All organic phosphines considered are found to chemically adsorb on these TM surfaces with the atop site as the most preferred one, and the TM-P bond is formed via the lone-pair electrons of the P atom and the directly contacted TM atom. These findings imply that it is indeed possible to build heterogeneous chiral catalytic systems based on organic phosphines adsorbed on TM surfaces, which, however, requires a careful design of molecular structure of organic phosphines.
Assessment of Water Quality Index and Heavy Metal Contamination in Active and Abandoned Iron Ore Mining Sites in Pahang, Malaysia

Directory of Open Access Journals (Sweden)

Madzin Zafira

2017-01-01

Full Text Available The composition of heavy metals in water and surface soils of iron ore mining sites were investigated to evaluate on the potential occurrence of heavy metal contamination. Physico-chemical characteristics of the waters were also investigated to determine the current status of water quality index (WQI of the sites. Samples of water and surface soils of active mine (Kuala Lipis and abandoned mine (Bukit Ibam in Pahang were collected at four locations, respectively. The physico-chemical parameters measured for WQI were pH, dissolved oxygen, biological oxygen demand (BOD, chemical oxygen demand (COD, suspended solids (SS, and ammoniacal nitrogen (AN. The water quality parameters were classified according to the Department of Environment (DOE water quality classification. The study revealed that most of the sites in Bukit Ibam and Kuala Lipis were categorized as clean to slightly polluted. On the other hand, heavy metal analysis in water showed that aluminium and manganese level in both sites have exceeded the allowable limits for raw and treated water standards by the Ministry of Health. For heavy metal compositions in soils showed most of the heavy metal concentrations were below the recommended guideline values except for lead, arsenic, zinc and copper.
Generation of Cu–In alloy surfaces from CuInO2 as selective catalytic sites for CO2 electroreduction

KAUST Repository

Jedidi, Abdesslem

2015-08-11

The lack of availability of efficient, selective and stable electrocatalysts is a major hindrance for scalable CO2 reduction processes. Herein, we report the generation of Cu–In alloy surfaces for electrochemical reduction of CO2 from mixed metal oxides of CuInO2 as the starting material. The material successfully generates selective active sites to form CO from CO2 electroreduction at mild overpotentials. Density functional theory (DFT) indicates that the site occupation of the inert In occurs more on the specific sites of Cu. In addition, while In atoms do not preferentially adsorb H or CO, Cu atoms, which neighbor the In atoms, alters the preference of their adsorption. This preference for site occupation and altered adsorption may account for the improved selectivity over that observed for Cu metal. This study demonstrates an example of a scalable synthesis method of bimetallic surfaces utilized with the mixed oxide precursor having the diversity of metal choice, which may drastically alter the electrocatalytic performance, as presented herein.
Generation of Cu–In alloy surfaces from CuInO2 as selective catalytic sites for CO2 electroreduction

KAUST Repository

Jedidi, Abdesslem; Rasul, Shahid; Masih, Dilshad; Cavallo, Luigi; Takanabe, Kazuhiro

2015-01-01

The lack of availability of efficient, selective and stable electrocatalysts is a major hindrance for scalable CO2 reduction processes. Herein, we report the generation of Cu–In alloy surfaces for electrochemical reduction of CO2 from mixed metal oxides of CuInO2 as the starting material. The material successfully generates selective active sites to form CO from CO2 electroreduction at mild overpotentials. Density functional theory (DFT) indicates that the site occupation of the inert In occurs more on the specific sites of Cu. In addition, while In atoms do not preferentially adsorb H or CO, Cu atoms, which neighbor the In atoms, alters the preference of their adsorption. This preference for site occupation and altered adsorption may account for the improved selectivity over that observed for Cu metal. This study demonstrates an example of a scalable synthesis method of bimetallic surfaces utilized with the mixed oxide precursor having the diversity of metal choice, which may drastically alter the electrocatalytic performance, as presented herein.
Characterizing heavy metal build-up on urban road surfaces: Implication for stormwater reuse

International Nuclear Information System (INIS)

Liu, An; Liu, Liang; Li, Dunzhu; Guan, Yuntao

2015-01-01

Stormwater reuse is increasingly popular in the worldwide. In terms of urban road stormwater, it commonly contains toxic pollutants such as heavy metals, which could undermine the reuse safety. The research study investigated heavy metal build-up characteristics on urban roads in a typical megacity of South China. The research outcomes show the high variability in heavy metal build-up loads among different urban road sites. The degree of traffic congestion and road surface roughness was found to exert a more significant influence on heavy metal build-up rather than traffic volume. Due to relatively higher heavy metal loads, stormwater from roads with more congested traffic conditions or rougher surfaces might be suitable for low-water-quality required activities while the stormwater from by-pass road sections could be appropriate for relatively high-water-quality required purposes since the stormwater could be relatively less polluted. Based on the research outcomes, a decision-making process for heavy metals based urban road stormwater reuse was proposed. The new finding highlights the importance to undertaking a “fit-for-purpose” road stormwater reuse strategy. Additionally, the research results can also contribute to enhancing stormwater reuse safety. - Highlights: • Heavy metal (HM) build-up varies with traffic and road surface conditions. • Traffic congestion and surface roughness exert a higher impact on HM build-up. • A “fit-for-purpose” strategy could suit urban road stormwater reuse
Characterizing heavy metal build-up on urban road surfaces: Implication for stormwater reuse

Energy Technology Data Exchange (ETDEWEB)

Liu, An [Research Centre of Environmental Engineering and Management, Graduate School at Shenzhen, Tsinghua University, 518055 Shenzhen (China); Cooperative Research and Education Centre for Environmental Technology, Kyoto University–Tsinghua University, 518055 Shenzhen (China); Liu, Liang; Li, Dunzhu [Research Centre of Environmental Engineering and Management, Graduate School at Shenzhen, Tsinghua University, 518055 Shenzhen (China); Guan, Yuntao, E-mail: guanyt@tsinghua.edu.cn [Research Centre of Environmental Engineering and Management, Graduate School at Shenzhen, Tsinghua University, 518055 Shenzhen (China); School of Environment, Tsinghua University, Beijing 100084 (China)

2015-05-15

Stormwater reuse is increasingly popular in the worldwide. In terms of urban road stormwater, it commonly contains toxic pollutants such as heavy metals, which could undermine the reuse safety. The research study investigated heavy metal build-up characteristics on urban roads in a typical megacity of South China. The research outcomes show the high variability in heavy metal build-up loads among different urban road sites. The degree of traffic congestion and road surface roughness was found to exert a more significant influence on heavy metal build-up rather than traffic volume. Due to relatively higher heavy metal loads, stormwater from roads with more congested traffic conditions or rougher surfaces might be suitable for low-water-quality required activities while the stormwater from by-pass road sections could be appropriate for relatively high-water-quality required purposes since the stormwater could be relatively less polluted. Based on the research outcomes, a decision-making process for heavy metals based urban road stormwater reuse was proposed. The new finding highlights the importance to undertaking a “fit-for-purpose” road stormwater reuse strategy. Additionally, the research results can also contribute to enhancing stormwater reuse safety. - Highlights: • Heavy metal (HM) build-up varies with traffic and road surface conditions. • Traffic congestion and surface roughness exert a higher impact on HM build-up. • A “fit-for-purpose” strategy could suit urban road stormwater reuse.
Excimer laser irradiation of metal surfaces

Science.gov (United States)

Kinsman, Grant

In this work a new method of enhancing CO2 laser processing by modifying the radiative properties of a metal surface is studied. In this procedure, an excimer laser (XeCl) or KrF) exposes the metal surface to overlapping pulses of high intensity, 10(exp 8) - 10(exp 9) W cm(exp -2), and short pulse duration, 30 nsec FWHM (Full Width Half Maximum), to promote structural and chemical change. The major processing effect at these intensities is the production of a surface plasma which can lead to the formation of a laser supported detonation wave (LSD wave). This shock wave can interact with the thin molten layer on the metal surface influencing to a varying degree surface oxidation and roughness features. The possibility of the expulsion, oxidation and redeposition of molten droplets, leading to the formation of micron thick oxide layers, is related to bulk metal properties and the incident laser intensity. A correlation is found between the expulsion of molten droplets and a Reynolds number, showing the interaction is turbulent. The permanent effects of these interactions on metal surfaces are observed through scanning electron microscopy (SEM), transient calorimetric measurements and Fourier transform infrared (FTIR) spectroscopy. Observed surface textures are related to the scanning procedures used to irradiate the metal surface. Fundamental radiative properties of a metal surface, the total hemispherical emissivity, the near-normal spectral absorptivity, and others are examined in this study as they are affected by excimer laser radiation. It is determined that for heavily exposed Al surface, alpha' (10.6 microns) can be increased to values close to unity. Data relating to material removal rates and chemical surface modification for excimer laser radiation is also discussed. The resultant reduction in the near-normal reflectivity solves the fundamental problem of coupling laser radiation into highly reflective and conductive metals such as copper and aluminum. The
Plastic Deformation of Metal Surfaces

DEFF Research Database (Denmark)

Hansen, Niels; Zhang, Xiaodan; Huang, Xiaoxu

2013-01-01

of metal components. An optimization of processes and material parameters must be based on a quantification of stress and strain gradients at the surface and in near surface layer where the structural scale can reach few tens of nanometers. For such fine structures it is suggested to quantify structural...... parameters by TEM and EBSD and apply strength-structural relationships established for the bulk metal deformed to high strains. This technique has been applied to steel deformed by high energy shot peening and a calculated stress gradient at or near the surface has been successfully validated by hardness...
Selective metal-vapor deposition on solvent evaporated polymer surfaces

Energy Technology Data Exchange (ETDEWEB)

Yamaguchi, Koji; Tsujioka, Tsuyoshi, E-mail: tsujioka@cc.osaka-kyoiku.ac.jp

2015-12-31

We report a selective metal-vapor deposition phenomenon based on solvent printing and evaporation on polymer surfaces and propose a method to prepare fine metal patterns using maskless vacuum deposition. Evaporation of the solvent molecules from the surface caused large free volumes between surface polymer chains and resulted in high mobility of the chains, enhancing metal-vapor atom desorption from the surface. This phenomenon was applied to prepare metal patterns on the polymer surface using solvent printing and maskless metal vacuum deposition. Metal patterns with high resolution of micron scale were obtained for various metal species and semiconductor polymer substrates including poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] and poly(3-hexylthiophene-2,5-diyl). - Highlights: • Selective metal-vapor deposition using solvent evaporation on polymer was attained. • Metal patterns with high resolution were obtained for various metal species. • This method can be applied to achieve fine metal-electrodes for polymer electronics.
Remediating sites contaminated with heavy metals

International Nuclear Information System (INIS)

Swartzbaugh, J.; Sturgill, J.; Cormier, B.; Williams, H.D.

1992-01-01

This article is intended to serve as a reference for decision makers who must choose an approach to remediate sites contaminated with heavy metals. Its purpose is to explain pertinent chemical and physical characteristics of heavy metals, how to use these characteristics to select remedial technologies, and how to interpret and use data from field investigations. Different metal species are typically associated with different industrial processes. The contaminant species behave differently in various media (i.e., groundwater, soils, air), and require different technologies for containment and treatment. We focus on the metals that are used in industries that generate regulated waste. These include steelmaking, paint and pigment manufacturing, metal finishing, leather tanning, papermaking, aluminum anodizing, and battery manufacturing. Heavy metals are also present in refinery wastes as well as in smelting wastes and drilling muds

Organometallic chemistry of metal surfaces

International Nuclear Information System (INIS)

Muetterties, E.L.

1981-06-01

The organometallic chemistry of metal surfaces is defined as a function of surface crystallography and of surface composition for a set of cyclic hydrocarbons that include benzene, toluene, cyclohexadienes, cyclohexene, cyclohexane, cyclooctatetraene, cyclooctadienes, cyclooctadiene, cycloheptatriene and cyclobutane. 12 figures
Process for cleaning radioactively contaminated metal surfaces

International Nuclear Information System (INIS)

Mihram, R.G.; Snyder, G.A.

1975-01-01

A process is described for removing radioactive scale from a ferrous metal surface, including the steps of initially preconditioning the surface by contacting it with an oxidizing solution (such as an aqueous solution of an alkali metal permanganate or hydrogen peroxide), then, after removal or decomposition of the oxidizing solution, the metallic surface is contacted with a cleaning solution which is a mixture of a mineral acid and a complexing agent (such as sulfuric acid and oxalic acid), and which preferably contains a corrosion inhibitor. A final step in the process is the treatment of the spent cleaning solution containing radioactive waste materials in solution by adding a reagent selected from the group consisting of calcium hydroxide or potassium permanganate and an alkali metal hydroxide to thereby form easily recovered metallic compounds containing substantially all of the dissolved metals and radioactivity. (auth)
Ecological risk, source and preliminary assessment of metals in the surface sediments of Chabahar Bay, Oman Sea

International Nuclear Information System (INIS)

Agah, Homira; Saleh, Abolfazl; Bastami, Kazem Darvish; Fumani, Neda Sheijooni

2016-01-01

In this study, concentrations of Aluminum (Al), Iron (Fe), Chromium (Cr), Copper (Cu), Nickel (Ni), Vanadium (V), Zinc (Zn), Arsenic (As), Cobalt (Co) and lead (Pb) in the surface sediments from Chabahar Bay were studied to assess the degree of heavy metal pollution as a consequence of natural and anthropogenic sources. Metal contents in the sediments were observed in the order of: Al > Fe > Cr > V > Ni > Zn > Cu > > As > Pb > Co. According to enrichment factor (EF), Arsenic was higher than 1.5 at some sites, indicating anthropogenic inputs. Contents of Ni, As and Cr in the some sampling sites were higher than sediment quality guideline implying adverse impacts of these metals. Based on potential ecological risk (PER), the Chabahar Bay had low ecological risk. - Highlights: •Metals and major elements were determined in surface sediments from Chabahar Bay, Oman Sea. •EF values indicated non-enriched to moderate-enriched. •Ni, As and Cr were above ERL values.
High-frequency EPR on high-spin transition-metal sites

NARCIS (Netherlands)

Mathies, Guinevere

2012-01-01

The electronic structure of transition-metal sites can be probed by electron-paramagnetic-resonance (EPR) spectroscopy. The study of high-spin transition-metal sites benefits from EPR spectroscopy at frequencies higher than the standard 9.5 GHz. However, high-frequency EPR is a developing field. In
Density functional theory study of elemental mercury adsorption on boron doped graphene surface decorated by transition metals

Energy Technology Data Exchange (ETDEWEB)

Jungsuttiwong, Siriporn, E-mail: siriporn.j@ubu.ac.th [Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Ubon Ratchathani University, Ubon Ratchathani 34190 (Thailand); Wongnongwa, Yutthana [Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Ubon Ratchathani University, Ubon Ratchathani 34190 (Thailand); Namuangruk, Supawadee [National Nanotechnology Center (NANOTEC), National Science and Technology Development Agency (NSTDA), Klong Luang, Pathum Thani 12120 (Thailand); Kungwan, Nawee [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Promarak, Vinich [Department of Material Science and Engineering, School of Molecular Science and Engineering, Vidyasirimedhi Institute of Science and Technology, Rayong 21210 (Thailand); Kunaseth, Manaschai, E-mail: manaschai@nanotec.or.th [National Nanotechnology Center (NANOTEC), National Science and Technology Development Agency (NSTDA), Klong Luang, Pathum Thani 12120 (Thailand)

2016-01-30

Graphical abstract: Decoration of Pd{sub 4}-A (square planar) on B-doped graphene significantly promotes Hg{sup 0} adsorption, a single site of Pd{sub 4} cluster on BDG could strongly adsorb up to six Hg atoms. - Highlights: • Transition metal atom and cluster binds strongly on B-doped graphene surface. • Decoration of transition metal on B-doped graphene significantly promotes Hg{sup 0} adsorption. • Adsorption strength of Hg{sup 0} atom on metal decorated B-doped graphene: Pd > Pt > Ru > W > Cu. • One site decorated Pd4 cluster adsorbed Hg{sup 0} strongly up to six atoms.
An introduction to surface alloying of metals

CERN Document Server

Hosmani, Santosh S; Goyal, Rajendra Kumar

2014-01-01

An Introduction to Surface Alloying of Metals aims to serve as a primer to the basic aspects of surface alloying of metals. The book serves to elucidate fundamentals of surface modification and their engineering applications. The book starts with basics of surface alloying and goes on to cover key surface alloying methods, such as carburizing, nitriding, chromizing, duplex treatment, and the characterization of surface layers. The book will prove useful to students at both the undergraduate and graduate levels, as also to researchers and practitioners looking for a quick introduction to surface alloying.
Exploring the surface reactivity of 3d metal endofullerenes: a density-functional theory study.

Science.gov (United States)

Estrada-Salas, Rubén E; Valladares, Ariel A

2009-09-24

Changes in the preferential sites of electrophilic, nucleophilic, and radical attacks on the pristine C60 surface with endohedral doping using 3d transition metal atoms were studied via two useful reactivity indices, namely the Fukui functions and the molecular electrostatic potential. Both of these were calculated at the density functional BPW91 level of theory with the DNP basis set. Our results clearly show changes in the preferential reactivity sites on the fullerene surface when it is doped with Mn, Fe, Co, or Ni atoms, whereas there are no significant changes in the preferential reactivity sites on the C60 surface upon endohedral doping with Cu and Zn atoms. Electron affinities (EA), ionization potentials (IP), and HOMO-LUMO gaps (Eg) were also calculated to complete the study of the endofullerene's surface reactivity. These findings provide insight into endofullerene functionalization, an important issue in their application.
Adsorption of metals and protons on Gloeocapsa sp. cyanobacteria: A surface speciation approach

Energy Technology Data Exchange (ETDEWEB)

Pokrovsky, O.S. [Geochimie et Biogeochimie Experimentale, LMTG, Universite de Toulouse, CNRS-IRD-OMP, 14 Avenue Edouard Belin, 31400 Toulouse (France)], E-mail: oleg@lmtg.obs-mip.fr; Martinez, R.E.; Golubev, S.V. [Geochimie et Biogeochimie Experimentale, LMTG, Universite de Toulouse, CNRS-IRD-OMP, 14 Avenue Edouard Belin, 31400 Toulouse (France); Kompantseva, E.I. [Winogradsky Institute of Microbiology, Russian Academy of Science, Moscow (Russian Federation); Shirokova, L.S. [Institute of Ecological Problems of the Northern Regions, Russian Academy of Science, 29 Naberezhnaja Sev. Dviny, Arkhangelsk (Russian Federation)

2008-09-15

The purpose of the present work is to extend our knowledge of metal-cyanobacteria interactions and to contribute to the database on adsorption parameters of aquatic microorganisms with respect to metal pollutants. To this end, the surface properties of the cyanobacteria (Gloeocapsa sp. f-6gl) were studied using potentiometric acid-base titration methods and ATR-FTIR (attenuated total reflection infrared) spectroscopy. The electrophoretic mobility of viable cells was measured as a function of pH and ionic strength (0.01 and 0.1 M). Surface titrations at 0.01-1.0 M NaCl were performed using limited residence time reactors (discontinuous titration) with analysis of Ca, Mg and dissolved organic C for each titration point in order to account for alkali-earth metal-proton exchange and cell degradation, respectively. Results demonstrate that the cell-wall bound Ca and Mg from the culture media contribute to the total proton uptake via surface ion-exchange reactions. This has been explicitly taken into account for net proton balance calculations. Adsorption of Zn, Cd, Pb and Cu was studied at 25 deg. C in 0.01 M NaNO{sub 3} as a function of pH and metal concentration. The proportion of adsorbed metal increases as a function of culture age with cells of 44 days old having the largest adsorption capacities. A competitive Langmuir sorption isotherm in conjunction with a linear programming method (LPM) was used to fit experimental data and assess the number of surface sites and adsorption reaction constants involved in the binding of metals to the cyanobacteria surface. These observations allowed the determination of the identity and concentration of the major surface functional groups (carboxylate, amine, phosphoryl/phosphodiester and hydroxyl) responsible for the amphoteric behavior of cyanobacterial cell surfaces in aqueous solutions and for metal adsorption. Results of this work should allow better optimizing of metal bioremediation/biosequestration processes as they help
Adsorption of metals and protons on Gloeocapsa sp. cyanobacteria: A surface speciation approach

International Nuclear Information System (INIS)

Pokrovsky, O.S.; Martinez, R.E.; Golubev, S.V.; Kompantseva, E.I.; Shirokova, L.S.

2008-01-01

The purpose of the present work is to extend our knowledge of metal-cyanobacteria interactions and to contribute to the database on adsorption parameters of aquatic microorganisms with respect to metal pollutants. To this end, the surface properties of the cyanobacteria (Gloeocapsa sp. f-6gl) were studied using potentiometric acid-base titration methods and ATR-FTIR (attenuated total reflection infrared) spectroscopy. The electrophoretic mobility of viable cells was measured as a function of pH and ionic strength (0.01 and 0.1 M). Surface titrations at 0.01-1.0 M NaCl were performed using limited residence time reactors (discontinuous titration) with analysis of Ca, Mg and dissolved organic C for each titration point in order to account for alkali-earth metal-proton exchange and cell degradation, respectively. Results demonstrate that the cell-wall bound Ca and Mg from the culture media contribute to the total proton uptake via surface ion-exchange reactions. This has been explicitly taken into account for net proton balance calculations. Adsorption of Zn, Cd, Pb and Cu was studied at 25 deg. C in 0.01 M NaNO 3 as a function of pH and metal concentration. The proportion of adsorbed metal increases as a function of culture age with cells of 44 days old having the largest adsorption capacities. A competitive Langmuir sorption isotherm in conjunction with a linear programming method (LPM) was used to fit experimental data and assess the number of surface sites and adsorption reaction constants involved in the binding of metals to the cyanobacteria surface. These observations allowed the determination of the identity and concentration of the major surface functional groups (carboxylate, amine, phosphoryl/phosphodiester and hydroxyl) responsible for the amphoteric behavior of cyanobacterial cell surfaces in aqueous solutions and for metal adsorption. Results of this work should allow better optimizing of metal bioremediation/biosequestration processes as they help to
Hydrochemical characteristics of mine waters from abandoned mining sites in Serbia and their impact on surface water quality.

Science.gov (United States)

Atanacković, Nebojša; Dragišić, Veselin; Stojković, Jana; Papić, Petar; Zivanović, Vladimir

2013-11-01

Upon completion of exploration and extraction of mineral resources, many mining sites have been abandoned without previously putting environmental protection measures in place. As a consequence, mine waters originating from such sites are discharged freely into surface water. Regional scale analyses were conducted to determine the hydrochemical characteristics of mine waters from abandoned sites featuring metal (Cu, Pb-Zn, Au, Fe, Sb, Mo, Bi, Hg) deposits, non-metallic minerals (coal, Mg, F, B) and uranium. The study included 80 mine water samples from 59 abandoned mining sites. Their cation composition was dominated by Ca2+, while the most common anions were found to be SO4(2-) and HCO3-. Strong correlations were established between the pH level and metal (Fe, Mn, Zn, Cu) concentrations in the mine waters. Hierarchical cluster analysis was applied to parameters generally indicative of pollution, such as pH, TDS, SO4(2-), Fe total, and As total. Following this approach, mine water samples were grouped into three main clusters and six subclusters, depending on their potential environmental impact. Principal component analysis was used to group together variables that share the same variance. The extracted principal components indicated that sulfide oxidation and weathering of silicate and carbonate rocks were the primary processes, while pH buffering, adsorption and ion exchange were secondary drivers of the chemical composition of the analyzed mine waters. Surface waters, which received the mine waters, were examined. Analysis showed increases of sulfate and metal concentrations and general degradation of surface water quality.
Secondary ion mass spectrometry (SIMS) analysis of hypervelocity microparticle impact sites on LDEF surfaces

Science.gov (United States)

Simon, C. G.; Buonaquisti, A. J.; Batchelor, D. A.; Hunter, J. L.; Griffis, D. P.; Misra, V.; Ricks, D. R.; Wortman, J. J.; Brownlee, D. E.; Best, S. R.

1995-01-01

Two dimensional elemental ion maps have been recorded for hundreds of microparticle impact sites and contamination features on LDEF surfaces. Since the majority of the analyzed surfaces were metal-oxide-silicon (MOS) impact detectors from the Interplanetary Dust Experiment, a series of 'standard' and 'blank' analyses of these surfaces are included. Hypervelocity impacts of forsterite olivine microparticles on activated flight sensors served as standards while stylus and pulsed laser simulated 'impacts' served as analytical blanks. Results showed that despite serious contamination issues, impactor residues can be identified in greater than 1/3 of the impact sites. While aluminum oxide particles could not be detected on aluminum surfaces, they were detected on germanium surfaces from row 12. Remnants of manmade debris impactors consisting of paint chips and bits of metal were identified on surfaces from LDEF Rows 3 (west or trailing side), 6 (south), 9 (ram or leading side), 12 (north) and the space end. Higher than expected ratios of manmade microparticle impacts to total microparticle impacts were found on the space end and the trailing side. These results were consistent with time-tagged and time-segregated microparticle impact data from the IDE and other LDEF experiments. A myriad of contamination interferences were identified and their effects on impactor debris identification mitigated during the course of this study. These interferences include pre-, post and inflight deposited surface contaminants as well as indigenous heterogeneous material contaminants. Non-flight contaminations traced to human origins, including spittle and skin oils, contributed significant levels of alkali-rich carbonaceous interferences. A ubiquitous layer of in-flight deposited silicaceous contamination varied in thickness with location on LDEF, even on a micro scale. In-flight deposited (low velocity) contaminants include urine droplets and bits of metal film from eroded thermal
Carbon monoxide adsorption studies on Ru:Mn bimetallic catalysts supported on alumina, silica and titania supported for the determination of metal surface area overview

International Nuclear Information System (INIS)

Hussain, S.T.

1992-01-01

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

International Nuclear Information System (INIS)

Zohdy, M.H.

2005-01-01

Chelating copolymers via grafting of acrylic acid (AAc) and acrylamide (AAm/AAc) comonomer mixture onto polyester micro fiber fabrics (PETMF) using gamma-radiation technique were prepared. The prepared graft chains (PETMF-g-AAc) and (PETMF-g-PAAc/PAAm) acted as chelating sites for some selected transition metal ions. The prepared graft copolymers and their metal complexes were characterized using thermogravimetric analysis (TGA), colour parameters and surface morphology measurements. The colour interception and strength measurements showed that the metal complexation is homogeneously distributed. The results showed that the thermal stability of PETMF was improved after graft copolymerization and metal complexes. Moreover, the degree of grafting enhanced the thermal stability values of the grafted and complexed copolymers up to 25% of magnitude, on the other hand the activation energy of the grafted-copolymer with acrylic acid increased up to 80%. The SEM observation gives further supports to the homogenous distribution of grafting and metal complexation
The surface energy of metals

DEFF Research Database (Denmark)

Vitos, Levente; Ruban, Andrei; Skriver, Hans Lomholt

1998-01-01

We have used density functional theory to establish a database of surface energies for low index surfaces of 60 metals in the periodic table. The data may be used as a consistent starting point for models of surface science phenomena. The accuracy of the database is established in a comparison...
Laser modification of macroscopic properties of metal surface layer

Science.gov (United States)

Kostrubiec, Franciszek

1995-03-01

Surface laser treatment of metals comprises a number of diversified technological operations out of which the following can be considered the most common: oxidation and rendering surfaces amorphous, surface hardening of steel, modification of selected physical properties of metal surface layers. In the paper basic results of laser treatment of a group of metals used as base materials for electric contacts have been presented. The aim of the study was to test the usability of laser treatment from the viewpoint of requirements imposed on materials for electric contacts. The results presented in the paper refer to two different surface treatment technologies: (1) modification of infusible metal surface layer: tungsten and molybdenum through laser fusing of their surface layer and its crystallization, and (2) modification of surface layer properties of other metals through laser doping of their surface layer with foreign elements. In the paper a number of results of experimental investigations obtained by the team under the author's supervision are presented.
Electronic structure and dynamics of metal and metal-covered surfaces

International Nuclear Information System (INIS)

Yang, Shu.

1992-01-01

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

International Nuclear Information System (INIS)

Hattemer-Frey, H.A.; Quinlan, R.E.; Krieger, G.R.

1994-01-01

An ecological risk assessment (ERA) was conducted for a metals mining site in the midwestern United States. Chemicals of potential concern were shown to be heavy metals associated with mine wastes and with base metal ore deposits that are characteristic of this area. Environmental receptors were identified by considering the relevant exposure pathways and the potential or known occurrence of species exposed via those pathways. Selection of key receptor species was designed to minimize the possibility that other species would be more exposed than the key species themselves and to include representation of sensitive organisms present at the subsites. In addition, an EPA-approved method was use to developed site-specific ambient water quality criteria. Ecological impacts were assessed using two complimentary approaches. First, potential chronic impacts were assessed by applying the toxicity quotient approach (i.e., a comparison of the measured concentration of site-related metals in surface water with available health-based criteria). Secondly, semi-quantitative comparative ecology data were used to obtain to provide a direct measure of impacts to key species. Results from these two approaches were used to provide a direct measure of impacts to key species. Results from these two approaches were used to obtain a realistic picture of actual and potential risks associated with exposure by key species to mining-related metals. This paper discusses the uncertainties associated with both methods and presents a method for interpreting disparate and sometimes confusing ecological data using the results from a case study
Surface energy of metal alloy nanoparticles

Science.gov (United States)

Takrori, Fahed M.; Ayyad, Ahmed

2017-04-01

The measurement of surface energy of alloy nanoparticles experimentally is still a challenge therefore theoretical work is necessary to estimate its value. In continuation of our previous work on the calculation of the surface energy of pure metallic nanoparticles we have extended our work to calculate the surface energy of different alloy systems, namely, Co-Ni, Au-Cu, Cu-Al, Cu-Mg and Mo-Cs binary alloys. It is shown that the surface energy of metallic binary alloy decreases with decreasing particle size approaching relatively small values at small sizes. When both metals in the alloy obey the Hume-Rothery rules, the difference in the surface energy is small at the macroscopic as well as in the nano-scale. However when the alloy deviated from these rules the difference in surface energy is large in the macroscopic and in the nano scales. Interestingly when solid solution formation is not possible at the macroscopic scale according to the Hume-Rothery rules, it is shown it may form at the nano-scale. To our knowledge these findings here are presented for the first time and is challenging from fundamental as well as technological point of views.
Distribution of trace metals at Hopewell Furnace National Historic Site, Berks and Chester Counties, Pennsylvania

Science.gov (United States)

Sloto, Ronald A.; Reif, Andrew G.

2011-01-01

Hopewell Furnace, located approximately 50 miles northwest of Philadelphia, was a cold-blast, charcoal iron furnace that operated for 113 years (1771 to 1883). The purpose of this study by the U.S. Geological Survey, in cooperation with the National Park Service, was to determine the distribution of trace metals released to the environment from an historical iron smelter at Hopewell Furnace National Historic Site (NHS). Hopewell Furnace used iron ore from local mines that contained abundant magnetite and accessory sulfide minerals enriched in arsenic, cobalt, copper, and other metals. Ore, slag, cast iron furnace products, soil, groundwater, stream base flow, streambed sediment, and benthic macroinvertebrates were sampled for this study. Soil samples analyzed in the laboratory had concentrations of trace metals low enough to meet Pennsylvania Department of Environmental Protection standards for non-residential use. Groundwater samples from the supply well met U.S. Environmental Protection Agency drinking-water regulations. Concentrations of metals in surface-water base flow at the five stream sampling sites were below continuous concentration criteria for protection of aquatic organisms. Concentrations of metals in sediment at the five stream sites were below probable effects level guidelines for protection of aquatic organisms except for copper at site HF-3. Arsenic, copper, lead, zinc, and possibly cobalt were incorporated into the cast iron produced by Hopewell Furnace. Manganese was concentrated in slag along with iron, nickel, and zinc. The soil near the furnace has elevated concentrations of chromium, copper, iron, lead, and zinc compared to background soil concentrations. Concentrations of toxic elements were not present at concentrations of concern in water, soil, or stream sediments, despite being elevated in ore, slag, and cast iron furnace products. The base-flow surface-water samples indicated good overall quality. The five sampled sites generally had
Ultra-fast boriding of metal surfaces for improved properties

Science.gov (United States)

Timur, Servet; Kartal, Guldem; Eryilmaz, Osman L.; Erdemir, Ali

2015-02-10

A method of ultra-fast boriding of a metal surface. The method includes the step of providing a metal component, providing a molten electrolyte having boron components therein, providing an electrochemical boriding system including an induction furnace, operating the induction furnace to establish a high temperature for the molten electrolyte, and boriding the metal surface to achieve a boride layer on the metal surface.

Worker exposures from recycling surface contaminated radioactive scrap metal

International Nuclear Information System (INIS)

Kluk, A.; Phillips, J.W.; Culp, J.

1996-01-01

Current DOE policy permits release from DOE control of real property with residual levels of surficial radioactive contamination if the contamination is below approved guidelines. If the material contains contamination that is evenly distributed throughout its volume (referred to as volumetric contamination), then Departmental approval for release must be obtained in advance. Several DOE sites presently recycle surface contaminated metal, although the quantities are small relative to the quantities of metal processed by typical mini-mills, hence the potential radiation exposures to mill workers from processing DOE metals and the public from the processed metal are at present also a very small fraction of their potential value. The exposures calculated in this analysis are based on 100% of the scrap metal being processed at the maximum contamination levels and are therefore assumed to be maximum values and not likely to occur in actual practice. This paper examines the relationship between the surface contamination limits established under DOE Order 5400.5, open-quotes Radiation Protection of the Public and the Environment,close quotes and radiation exposures to workers involved in the scrap metal recycling process. The analysis is limited to surficial contamination at or below the guideline levels established in DOE Order 5400.5 at the time of release. Workers involved in the melting and subsequent fabrication of products are not considered radiation workers (no requirements for monitoring) and must be considered members of the public. The majority of the exposures calculated in this analysis range from tenths of a millirem per year (mrem/yr) to less than 5 mrem/yr. The incremental risk of cancer associated with these exposures ranges from 10 -8 cancers per year to 10 -6 cancers per year
SITE demonstration of the Dynaphore/Forager Sponge technology to remove dissolved metals from contaminated groundwater

Energy Technology Data Exchange (ETDEWEB)

Esposito, C.R. [Environmental Protection Agency, Edison, NJ (United States); Vaccaro, G. [Science Applications International Corp., Hackensack, NJ (United States)

1995-10-01

A Superfund Innovative Technology Evaluation (SITE) demonstration was conducted of the Dynaphore/Forager Sponge technology during the week of April 3, 1994 at the N.L. Industries Superfund Site in Pedricktown, New Jersey. The Forager Sponge is an open-celled cellulose sponge incorporating an amine-containing chelating polymer that selectively absorbs dissolved heavy metals in both cationic and anionic states. This technology is a volume reduction technology in which heavy metal contaminants from an aqueous medium are concentrated into a smaller volume for facilitated disposal. The developer states that the technology can be used to remove heavy metals from a wide variety of aqueous media, such as groundwater, surface waters and process waters. The sponge matrix can be directly disposed, or regenerated with chemical solutions. For this demonstration the sponge was set up as a mobile pump-and-treat system which treated groundwater contaminated with heavy metals. The demonstration focused on the system`s ability to remove lead, cadmium, chromium and copper from the contaminated groundwater over a continuous 72-hour test. The removal of heavy metals proceeded in the presence of significantly higher concentrations of innocuous cations such as calcium, magnesium, sodium, potassium and aluminum.
Metal-oxide assisted surface treatment of polyimide gate insulators for high-performance organic thin-film transistors.

Science.gov (United States)

Kim, Sohee; Ha, Taewook; Yoo, Sungmi; Ka, Jae-Won; Kim, Jinsoo; Won, Jong Chan; Choi, Dong Hoon; Jang, Kwang-Suk; Kim, Yun Ho

2017-06-14

We developed a facile method for treating polyimide-based organic gate insulator (OGI) surfaces with self-assembled monolayers (SAMs) by introducing metal-oxide interlayers, called the metal-oxide assisted SAM treatment (MAST). To create sites for surface modification with SAM materials on polyimide-based OGI (KPI) surfaces, the metal-oxide interlayer, here amorphous alumina (α-Al 2 O 3 ), was deposited on the KPI gate insulator using spin-coating via a rapid sol-gel reaction, providing an excellent template for the formation of a high-quality SAM with phosphonic acid anchor groups. The SAM of octadecylphosphonic acid (ODPA) was successfully treated by spin-coating onto the α-Al 2 O 3 -deposited KPI film. After the surface treatment by ODPA/α-Al 2 O 3 , the surface energy of the KPI thin film was remarkably decreased and the molecular compatibility of the film with an organic semiconductor (OSC), 2-decyl-7-phenyl-[1]benzothieno[3,2-b][1]benzothiophene (Ph-BTBT-C 10 ), was increased. Ph-BTBT-C 10 molecules were uniformly deposited on the treated gate insulator surface and grown with high crystallinity, as confirmed by atomic force microscopy (AFM) and X-ray diffraction (XRD) analysis. The mobility of Ph-BTBT-C 10 thin-film transistors (TFTs) was approximately doubled, from 0.56 ± 0.05 cm 2 V -1 s -1 to 1.26 ± 0.06 cm 2 V -1 s -1 , after the surface treatment. The surface treatment of α-Al 2 O 3 and ODPA significantly decreased the threshold voltage from -21.2 V to -8.3 V by reducing the trap sites in the OGI and improving the interfacial properties with the OSC. We suggest that the MAST method for OGIs can be applied to various OGI materials lacking reactive sites using SAMs. It may provide a new platform for the surface treatment of OGIs, similar to that of conventional SiO 2 gate insulators.
Theoretical study of heavy metal Cd, Cu, Hg, and Ni(II) adsorption on the kaolinite(0 0 1) surface

Energy Technology Data Exchange (ETDEWEB)

Zhao, Jian, E-mail: zhaojian0209@aliyun.com [Institute of Applied Physics and Computational Mathematics, PO Box 8009, Beijing 100088 (China); State Key Laboratory of Geomechanics and Deep Underground Engineering, China University of Mining and Technology, Beijing 100083 (China); He, Man-Chao [State Key Laboratory of Geomechanics and Deep Underground Engineering, China University of Mining and Technology, Beijing 100083 (China)

2014-10-30

Highlights: • We investigated the adsorption of Cd, Cu, Hg, and Ni(II) on kaolinite(0 0 1) surface. • The adsorption capabilities of the kaolinite for HM atoms were Ni > Cu > Cd > Hg(II). • The adsorption energy increases with the coverage for Cd, Cu, and Hg(II) atoms. • The adsorption energy decreases with the coverage for Ni(II) atoms. - Abstract: Heavy metal pollution is currently of great concern because it has been recognized as a potential threat to air, water, and soil. Adsorption was one of the most popular methods for the removal of heavy metal. The adsorption of heavy metal Cd, Cu, Hg, and Ni(II) atoms on the hydroxylated (0 0 1) surface of kaolinite was investigated using density-functional theory within the generalized gradient approximation and a supercell approach. The coverage dependence of the adsorption structures and energetics were systematically studied for a wide range of coverage Θ [from 0.11 to 1.0 monolayers (ML)] and adsorption sites. The most stable among all possible adsorption sites for Cd(II) atom was the two-fold bridge site followed by the one-fold top site, and the top site was the most favorite adsorption site for Cu and Ni(II) atoms, while the three-fold hollow site was the most stable adsorption site for Hg(II) atom followed by the two-fold bridge site. The adsorption energy increases with the coverage for Cd, Cu, and Hg(II) atoms, thus indicating the higher stability of surface adsorption and a tendency to the formation of adsorbate islands (clusters) with increasing the coverage. However, the adsorption energy of Ni(II) atoms decreases when increasing the coverage. The adsorption capabilities of the kaolinite clay for the heavy metal atoms were in the order of Ni > Cu > Cd > Hg(II). The other properties of the Cd, Cu, Hg, and Ni(II)/kaolinite(0 0 1) system including the different charge distribution, the lattice relaxation, and the electronic density of states were also studied and discussed in detail.
Theoretical study of heavy metal Cd, Cu, Hg, and Ni(II) adsorption on the kaolinite(0 0 1) surface

International Nuclear Information System (INIS)

Zhao, Jian; He, Man-Chao

2014-01-01

Highlights: • We investigated the adsorption of Cd, Cu, Hg, and Ni(II) on kaolinite(0 0 1) surface. • The adsorption capabilities of the kaolinite for HM atoms were Ni > Cu > Cd > Hg(II). • The adsorption energy increases with the coverage for Cd, Cu, and Hg(II) atoms. • The adsorption energy decreases with the coverage for Ni(II) atoms. - Abstract: Heavy metal pollution is currently of great concern because it has been recognized as a potential threat to air, water, and soil. Adsorption was one of the most popular methods for the removal of heavy metal. The adsorption of heavy metal Cd, Cu, Hg, and Ni(II) atoms on the hydroxylated (0 0 1) surface of kaolinite was investigated using density-functional theory within the generalized gradient approximation and a supercell approach. The coverage dependence of the adsorption structures and energetics were systematically studied for a wide range of coverage Θ [from 0.11 to 1.0 monolayers (ML)] and adsorption sites. The most stable among all possible adsorption sites for Cd(II) atom was the two-fold bridge site followed by the one-fold top site, and the top site was the most favorite adsorption site for Cu and Ni(II) atoms, while the three-fold hollow site was the most stable adsorption site for Hg(II) atom followed by the two-fold bridge site. The adsorption energy increases with the coverage for Cd, Cu, and Hg(II) atoms, thus indicating the higher stability of surface adsorption and a tendency to the formation of adsorbate islands (clusters) with increasing the coverage. However, the adsorption energy of Ni(II) atoms decreases when increasing the coverage. The adsorption capabilities of the kaolinite clay for the heavy metal atoms were in the order of Ni > Cu > Cd > Hg(II). The other properties of the Cd, Cu, Hg, and Ni(II)/kaolinite(0 0 1) system including the different charge distribution, the lattice relaxation, and the electronic density of states were also studied and discussed in detail
Effect of Strain on the Reactivity of Metal Surfaces

DEFF Research Database (Denmark)

Mavrikakis, Manos; Hammer, Bjørk; Nørskov, Jens Kehlet

1998-01-01

Self-consistent density functional calculations for the adsorption of O and CO, and the dissociation of CO on strained and unstrained Ru(0001) surfaces are used to show how strained metal surfaces have chemical properties that are significantly different from those of unstrained surfaces. Surface...... reactivity increases with lattice expansion, following a concurrent up-shift of the metal d states. Consequences for the catalytic activity of thin metal overlayers are discussed....
Determination of Surface Properties of Liquid Transition Metals

International Nuclear Information System (INIS)

Korkmaz, S. D.

2008-01-01

Certain surface properties of liquid simple metals are reported. Using the expression derived by Gosh and coworkers we investigated the surface entropy of liquid transition metals namely Fe, Co and Ni. We have also computed surface tensions of the metals concerned. The pair distribution functions are calculated from the solution of Ornstein-Zernike integral equation with Rogers-Young closure using the individual version of the electron-ion potential proposed by Fioalhais and coworkers which was originally developed for solid state. The predicted values of surface tension and surface entropy are in very good agreement with available experimental data. The present study results show that the expression derived by Gosh and coworkers is very useful for the surface entropy by using Fioalhais pseudopotential and Rogers-Young closure
Ab initio lattice dynamics of metal surfaces

International Nuclear Information System (INIS)

Heid, R.; Bohnen, K.-P.

2003-01-01

Dynamical properties of atoms on surfaces depend sensitively on their bonding environment and thus provide valuable insight into the local geometry and chemical binding at the boundary of a solid. Density-functional theory provides a unified approach to the calculation of structural and dynamical properties from first principles. Its high accuracy and predictive power for lattice dynamical properties of semiconductor surfaces has been demonstrated in a previous article by Fritsch and Schroeder (Phys. Rep. 309 (1999) 209). In this report, we review the state-of-the-art of these ab initio approaches to surface dynamical properties of metal surfaces. We give a brief introduction to the conceptual framework with focus on recent advances in computational procedures for the ab initio linear-response approach, which have been a prerequisite for an efficient treatment of surface dynamics of noble and transition metals. The discussed applications to clean and adsorbate-covered surfaces demonstrate the high accuracy and reliability of this approach in predicting detailed microscopic properties of the phonon dynamics for a wide range of metallic surfaces
Wireless Metal Detection and Surface Coverage Sensing for All-Surface Induction Heating

Directory of Open Access Journals (Sweden)

Veli Tayfun Kilic

2016-03-01

Full Text Available All-surface induction heating systems, typically comprising small-area coils, face a major challenge in detecting the presence of a metallic vessel and identifying its partial surface coverage over the coils to determine which of the coils to power up. The difficulty arises due to the fact that the user can heat vessels made of a wide variety of metals (and their alloys. To address this problem, we propose and demonstrate a new wireless detection methodology that allows for detecting the presence of metallic vessels together with uniquely sensing their surface coverages while also identifying their effective material type in all-surface induction heating systems. The proposed method is based on telemetrically measuring simultaneously inductance and resistance of the induction coil coupled with the vessel in the heating system. Here, variations in the inductance and resistance values for an all-surface heating coil loaded by vessels (made of stainless steel and aluminum at different positions were systematically investigated at different frequencies. Results show that, independent of the metal material type, unique identification of the surface coverage is possible at all freqeuncies. Additionally, using the magnitude and phase information extracted from the coupled coil impedance, unique identification of the vessel effective material is also achievable, this time independent of its surface coverage.
Surface energy and work function of elemental metals

DEFF Research Database (Denmark)

Skriver, Hans Lomholt; Rosengaard, N. M.

1992-01-01

and noble metals, as derived from the surface tension of liquid metals. In addition, they give work functions which agree with the limited experimental data obtained from single crystals to within 15%, and explain the smooth behavior of the experimental work functions of polycrystalline samples......We have performed an ab initio study of the surface energy and the work function for six close-packed surfaces of 40 elemental metals by means of a Green’s-function technique, based on the linear-muffin-tin-orbitals method within the tight-binding and atomic-sphere approximations. The results...... are in excellent agreement with a recent full-potential, all-electron, slab-supercell calculation of surface energies and work functions for the 4d metals. The present calculations explain the trend exhibited by the surface energies of the alkali, alkaline earth, divalent rare-earth, 3d, 4d, and 5d transition...
Surface Modification of α-Fe Metal Particles by Chemical Surface Coating

Institute of Scientific and Technical Information of China (English)

无

2003-01-01

The structure of α-Fe metal magnetic recording particles coated with silane coupling agents have been studied by TEM, FT-IR, EXAFS, Mossbauer. The results show that a close, uniform, firm and ultra thin layer, which is beneficial to the magnetic and chemical stability, has been formed by the cross-linked chemical bond Si-O-Si. And the organic molecule has chemically bonded to the particle surface, which has greatly affected the surface Fe atom electronic structure. Furthermore, the covalent bond between metal particle surface and organic molecule has obvious effect on the near edge structure of the surface Fe atoms.
[Study on pollution evaluation of heavy metal in surface soil of the original site of Qingdao North Station].

Science.gov (United States)

Zhu, Lei; Jia, Yong-gang; Pan, Yu-ying

2013-09-01

The determination of pollution extent and health risk assessment are the premise of heavy metal contaminated site remediation. The content of Cu, Cr, Pb, Cd, Zn, Ni in Qingdao North Station was detected, and the correlation of the 6 kinds of heavy metal content was analyzed. The pollution extent in excess of background values was characterized by anthropogenic influence multiple, and the pollution of heavy metal in soil was evaluated using geoaccumulation index and a new method which connects geoaccumulation index with Nemero index. Finally, human health risk assessment was carried out with health risk assessment model for heavy metal content. The results showed that Qingdao North Station soil were polluted by heavy metals. Six heavy metal pollution levels were: Cd > Cu > Ni > Pb > Cr > Zn, and Cd had reached the severity pollution level, Cu and Ni followed by, Cr, Pb and Zn were in minor pollution level. The order of coefficient variation in all heavy metals was: Cd > Ni > Cr > Zn > Pb > Cu. Within the study area soil heavy metal distribution was different, but overall discrepancy was small. The order of non-cancer hazards of heavy metals in soil was Cr > Pb > Cu > Ni > Cd > Zn, and the order of carcinogen risks of heavy metals was Ni > Cd. The non-cancer hazard and carcinogen risks values of metals were both lower than that their threshold values. They were not the direct threats to human health.
Photoionization microscopy of hydrogen atom near a metal surface

International Nuclear Information System (INIS)

Yang Hai-Feng; Wang Lei; Liu Xiao-Jun; Liu Hong-Ping

2011-01-01

We have studied the ionization of Rydberg hydrogen atom near a metal surface with a semiclassical analysis of photoionization microscopy. Interference patterns of the electron radial distribution are calculated at different scaled energies above the classical saddle point and at various atom—surface distances. We find that different types of trajectories contribute predominantly to different manifolds in a certain interference pattern. As the scaled energy increases, the structure of the interference pattern evolves smoothly and more types of trajectories emerge. As the atom approaches the metal surface closer, there are more types of trajectories contributing to the interference pattern as well. When the Rydberg atom comes very close to the metal surface or the scaled energy approaches the zero field ionization energy, the potential induced by the metal surface will make atomic system chaotic. The results also show that atoms near a metal surface exhibit similar properties like the atoms in the parallel electric and magnetic fields. (atomic and molecular physics)
Heavy metals fluxes and speciation in the surface layer of urban soils in the province of Brescia (Italy)

Science.gov (United States)

Peli, Marco; Raffelli, Giulia; Barontini, Stefano; Bostick, Benjamin C.; Donna, Filippo; Lucchini, Roberto G.; Ranzi, Roberto

2017-04-01

For the last forty years (1974-2015), a ferroalloy industry has been working in Bagnolo Mella, a municipality nearby the city of Brescia (Northern Italy), producing particulate emissions enriched in heavy metals: manganese (Mn) in particular, but also lead (Pb), iron (Fe), aluminum (Al) and arsenic (As). Although some of these metals are required trace elements for most living organisms and can be largely found in natural environments (e.g. Mn being the fifth most abundant metal in the Earth crust), they all lead to toxic effects when they contaminate work and life environments of the exposed population. Aiming at contributing to quantify the exposure of the population to environmental pollution near the factory, as well as the heavy metals possible tendency to migrate through the considered soil matrix, in this work we investigated metals speciation and fluxes within the Earth Critical Zone. The factory is located near residential areas in a plain characterised by little wind and shallow water table with a great number of water resurgences. Three test sites were identified among the pronest ones to particulate matter deposition, on the basis of data collected during a previous experimental field campaign and of the local wind rose. One more site was selected upwind to the factory as a reference site minimally prone to particulate matter deposition, on the basis of the previous investigations. Sites where lawns have been maintained at least for the last forty years where selected in order to avoid agriculture—induced effects on the metals movement. Total soil metal concentrations were measured by means of a portable X-Ray Fluorescence (XRF) device along the soil profiles, down to the depth of 40 cm from the soil surface. Four loose soil samples were collected at each site, at depths ranging from 5 to 30 cm, and they were later subjected to sequential extractions procedure and ICP—MS analyses, in order to investigate differences in heavy metals speciation along
Rigid multipodal platforms for metal surfaces

Directory of Open Access Journals (Sweden)

Michal Valášek

2016-03-01

Full Text Available In this review the recent progress in molecular platforms that form rigid and well-defined contact to a metal surface are discussed. Most of the presented examples have at least three anchoring units in order to control the spatial arrangement of the protruding molecular subunit. Another interesting feature is the lateral orientation of these foot structures which, depending on the particular application, is equally important as the spatial arrangement of the molecules. The numerous approaches towards assembling and organizing functional molecules into specific architectures on metal substrates are reviewed here. Particular attention is paid to variations of both, the core structures and the anchoring groups. Furthermore, the analytical methods enabling the investigation of individual molecules as well as monomolecular layers of ordered platform structures are summarized. The presented multipodal platforms bearing several anchoring groups form considerably more stable molecule–metal contacts than corresponding monopodal analogues and exhibit an enlarged separation of the functional molecules due to the increased footprint, as well as restrict tilting of the functional termini with respect to the metal surface. These platforms are thus ideally suited to tune important properties of the molecule–metal interface. On a single-molecule level, several of these platforms enable the control over the arrangement of the protruding rod-type molecular structures (e.g., molecular wires, switches, rotors, sensors with respect to the surface of the substrate.
He atom surface spectroscopy: Surface lattice dynamics of insulators, metals and metal overlayers

International Nuclear Information System (INIS)

1990-01-01

During the first three years of this grant (1985--1988) the effort was devoted to the construction of a state-of-the-art He atom scattering (HAS) instrument which would be capable of determining the structure and dynamics of metallic, semiconductor or insulator crystal surfaces. The second three year grant period (1988--1991) has been dedicated to measurements. The construction of the instrument went better than proposed; it was within budget, finished in the proposed time and of better sensitivity and resolution than originally planned. The same success has been carried over to the measurement phase where the concentration has been on studies of insulator surfaces, as discussed in this paper. The experiments of the past three years have focused primarily on the alkali halides with a more recent shift to metal oxide crystal surfaces. Both elastic and inelastic scattering experiments were carried out on LiF, NaI, NaCl, RbCl, KBr, RbBr, RbI, CsF, CsI and with some preliminary work on NiO and MgO
Field emission and high voltage cleaning of particulate contaminants on extended metallic surfaces

International Nuclear Information System (INIS)

Tan, J.; Bonin, B.; Safa, H.

1996-01-01

The vacuum insulation properties of extended metallic surfaces depends strongly on their cleanliness. The usual technique to reduce electronic field emission from such surfaces consists in exposing them to very high electric fields during limited periods of time. This kind of processing also reduces the occurrence of vacuum breakdown. The processing of the surface is generally believed to be due to a thermomechanical destruction of the emitting sites, initiated by the emission itself. Comparison of the electric forces vs adherence forces which act on dust particles lying on the surface shows that the processing could also be due simply to the mechanical removal of the dust particles, with a subsequent reduction of field emission from the contaminated surface. (author)
Heavy metal biosorption sites in Penicillium cyclopium | Tsekova ...

African Journals Online (AJOL)

The biomass of Penicillium cyclopium was subjected to chemical treatment to study the role of the functional groups in the biosorption of heavy metal ions. The modifications of the functional groups were examined with infrared spectroscopy. Hydroxyl groups were identified as providing the major sites of heavy metal ...
Metal sorption on kaolinite

International Nuclear Information System (INIS)

Westrich, H.R.; Brady, P.V.; Cygan, R.T.; Nagy, K.L.; Anderson, H.L.

1997-01-01

A key issue in performance assessment of low-level radioactive waste sites is predicting the transport and retardation of radionuclides through local soils under a variety of hydrologic and geochemical conditions. Improved transport codes should include a mechanistic model of radionuclide retardation. The authors have been investigating metal sorption (Cs + , Sr 2+ , and Ba 2+ ) on a simple clay mineral (kaolinite) to better understand the geochemical interactions of common soil minerals with contaminated groundwaters. These studies include detailed characterizations of kaolinite surfaces, experimental adsorption measurements, surface complexation modeling, and theoretical simulations of cation sorption. The aluminol edge (010) site has been identified as the most likely site for metal sorption on kaolinite in natural solutions. Relative metal binding strengths decrease from Ba 2+ to Sr 2+ to Cs + , with some portion sorbed on both kaolinite edges and basal surfaces. Some Cs + also appears to be irreversibly sorbed on both sites. Molecular dynamics simulations suggest that Cs + is sorbed at aluminol (010) edge sites as an inner-sphere complex and weakly sorbed as an outer-sphere complex on (001) basal surfaces. These results provide the basis to understand and predict metal sorption onto kaolinite, and a framework to characterize sorption processes on more complex clay minerals
Surface segregation energies in transition-metal alloys

DEFF Research Database (Denmark)

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

1999-01-01

We present a database of 24 x 24 surface segregation energies of single transition metal impurities in transition-metal hosts obtained by a Green's-function linear-muffin-tin-orbitals method in conjunction with the coherent potential and atomic sphere approximations including a multipole correction...... to the electrostatic potential and energy. We use the database to establish the major factors which govern surface segregation in transition metal alloys. We find that the calculated trends are well described by Friedel's rectangular state density model and that the few but significant deviations from the simple...

Evaluation of Metal-Fueled Surface Reactor Concepts

International Nuclear Information System (INIS)

Poston, David I.; Marcille, Thomas F.; Kapernick, Richard J.; Hiatt, Matthew T.; Amiri, Benjamin W.

2007-01-01

Surface fission power systems for use on the Moon and Mars may provide the first use of near-term reactor technology in space. Most near-term surface reactor concepts specify reactor temperatures <1000 K to allow the use of established material and power conversion technology and minimize the impact of the in-situ environment. Metal alloy fuels (e.g. U-10Zr and U-10Mo) have not traditionally been considered for space reactors because of high-temperature requirements, but they might be an attractive option for these lower temperature surface power missions. In addition to temperature limitations, metal fuels are also known to swell significantly at rather low fuel burnups (∼1 a/o), but near-term surface missions can mitigate this concern as well, because power and lifetime requirements generally keep fuel burnups <1 a/o. If temperature and swelling issues are not a concern, then a surface reactor concept may be able to benefit from the high uranium density and relative ease of manufacture of metal fuels. This paper investigates two reactor concepts that utilize metal fuels. It is found that these concepts compare very well to concepts that utilize other fuels (UN, UO2, UZrH) on a mass basis, while also providing the potential to simplify material safeguards issues
Final Report for Project ''Role of Metal Bioavailability in In Situ Bioremediation of Metal and Organic Co-Contaminated Sites''; FINAL

International Nuclear Information System (INIS)

Raina M. Maier

2002-01-01

A large proportion of hazardous waste sites are co-contaminated with organics and various metals. Such co-contaminated sites are difficult to bioremediate due to the nature of the mixed contaminants. Specifically, the presence of a co-contaminating metal imposes increased stress on indigenous populations already impacted by organic contaminant stress. The overall objective of this research is to investigate the effect of varying metal bioavailability on microbial populations and biodegradation of organics to allow a better understanding of how optimize remediation of co-contaminated sites. The hypothesis for this project is that metal bioavailability is not directly correlated with metal stress imposed on microbial populations that are degrading organics in soil and that further understanding of the relationship between metal bioavailability and metal stress is required for successful treatment of sites contaminated with mixtures of organics and metals. The specific objectives to be addressed to accomplish this goal are: (1) To determine the influence of metal bioavailability in soil microcosms co-contaminated with organics and metals on degradation of the organic contaminants and on mechanisms of metal resistance and (2) To determine the efficacy of different bioremediation strategies for co-contaminated soils based on metal bioavailability
Research of mercury removal from sintering flue gas of iron and steel by the open metal site of Mil-101(Cr).

Science.gov (United States)

Zhao, Songjian; Mei, Jian; Xu, Haomiao; Liu, Wei; Qu, Zan; Cui, Yong; Yan, Naiqiang

2018-06-05

Metal-organic frameworks (MOFs) adsorbent Mil-101(Cr) was introduced for the removal of elemental mercury from sintering flue gas. Physical and chemical characterization of the adsorbents showed that MIL-101(Cr) had the largest BET surface area, high thermal stability and oxidation capacity. Hg 0 removal performance analysis indicated that the Hg 0 removal efficiency of MIL-101(Cr) increased with the increasing temperature and oxygen content. Besides, MIL-101(Cr) had the highest Hg 0 removal performance compared with Cu-BTC, UiO-66 and activated carbon, which can reach about 88% at 250 °C. The XPS and Hg-TPD methods were used to analyze the Hg 0 removal mechanism; the results show that Hg 0 was first adsorbed on the surface of Mil-101(Cr), and then oxidized by the open metal site Cr 3+ . The generated Hg 2+ was then combined surface adsorbed oxygen of adsorbent to form HgO, and the open metal site Cr 2+ was oxidized to Cr 3+ by surface active oxygen again. Furthermore, MIL-101(Cr) had good chemical and thermal stability. Copyright © 2017 Elsevier B.V. All rights reserved.
Surface modification of metals by ion implantation

International Nuclear Information System (INIS)

Iwaki, Masaya

1988-01-01

Ion implantation in metals has attracted the attention as a useful technology for the formation of new metastable alloys and compounds in metal surface layers without thermal equilibrium. Current studies of metal surface modification by ion implantation with high fluences have expanded from basic research areas and to industrial applications for the improvement of life time of tools. Many results suggest that the high fluence implantation produces the new surface layers with un-expected microscopic characteristics and macroscopic properties due to implant particles, radiation damage, sputtering, and knock-on doping. In this report, the composition, structure and chemical bonding state in surface layers of iron, iron-based alloy and aluminum sheets implanted with high fluences have been investigated by means of secondary ion mass spectroscopy (SIMS), Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). Tribological properties such as hardness, friction and wear are introduced. (author)
Development of METAL-ACTIVE SITE and ZINCCLUSTER tool to predict active site pockets.

Science.gov (United States)

Ajitha, M; Sundar, K; Arul Mugilan, S; Arumugam, S

2018-03-01

The advent of whole genome sequencing leads to increasing number of proteins with known amino acid sequences. Despite many efforts, the number of proteins with resolved three dimensional structures is still low. One of the challenging tasks the structural biologists face is the prediction of the interaction of metal ion with any protein for which the structure is unknown. Based on the information available in Protein Data Bank, a site (METALACTIVE INTERACTION) has been generated which displays information for significant high preferential and low-preferential combination of endogenous ligands for 49 metal ions. User can also gain information about the residues present in the first and second coordination sphere as it plays a major role in maintaining the structure and function of metalloproteins in biological system. In this paper, a novel computational tool (ZINCCLUSTER) is developed, which can predict the zinc metal binding sites of proteins even if only the primary sequence is known. The purpose of this tool is to predict the active site cluster of an uncharacterized protein based on its primary sequence or a 3D structure. The tool can predict amino acids interacting with a metal or vice versa. This tool is based on the occurrence of significant triplets and it is tested to have higher prediction accuracy when compared to that of other available techniques. © 2017 Wiley Periodicals, Inc.
Direct NO decomposition over stepped transition-metal surfaces

DEFF Research Database (Denmark)

Falsig, Hanne; Bligaard, Thomas; Christensen, Claus H.

2007-01-01

We establish the full potential energy diagram for the direct NO decomposition reaction over stepped transition-metal surfaces by combining a database of adsorption energies on stepped metal surfaces with known Bronsted-Evans-Polanyi (BEP) relations for the activation barriers of dissociation...
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.
Antibacterial Metallic Touch Surfaces

Directory of Open Access Journals (Sweden)

Victor M. Villapún

2016-08-01

Full Text Available Our aim is to present a comprehensive review of the development of modern antibacterial metallic materials as touch surfaces in healthcare settings. Initially we compare Japanese, European and US standards for the assessment of antimicrobial activity. The variations in methodologies defined in these standards are highlighted. Our review will also cover the most relevant factors that define the antimicrobial performance of metals, namely, the effect of humidity, material geometry, chemistry, physical properties and oxidation of the material. The state of the art in contact-killing materials will be described. Finally, the effect of cleaning products, including disinfectants, on the antimicrobial performance, either by direct contact or by altering the touch surface chemistry on which the microbes attach, will be discussed. We offer our outlook, identifying research areas that require further development and an overview of potential future directions of this exciting field.
Decontamination of U-metal surface by an oxidation etching system

Energy Technology Data Exchange (ETDEWEB)

Stout, R.B.; Kansa, E.J.; Shaffer, R.J.; Weed, H.C. [California Univ., Livermore, CA (United States). Lawrence Livermore National Lab

2001-07-01

A surface treatment to remove surface contamination from uranium (U) metal and/or hydrides of uranium and heavy metals (HM) from U-metal parts is described. In the case of heavy metal atomic contamination on a surface, and potentially several atomic layers beneath, the surface oxidation treatment combines both chemical and chemically driven mechanical processes. The chemical process is a controlled temperature-time oxidation process to create a thin film of uranium oxide (UO{sub 2} and higher oxides) on the U-metal surface. The chemically driven mechanical process is strain induced by the volume increase as the U-metal surface transforms to a UO{sub 2} surface film. These volume strains are significantly large to cause surface failure spalling/scale formation and thus, removal of a U-oxide film that contains the HM-contaminated surface. The case of a HM-hydride surface contamination layer can be treated similarly by using inert hot gas to decompose the U-hydrides and/or HM-hydrides that are contiguous with the surface. A preliminary analysis to design and to plan for a sequence of tests is developed. The tests will provide necessary and sufficient data to evaluate the effective implementation and operational characteristics of a safe and reliable system. The following description is limited to only a surface oxidation process for HM-decontamination. (authors)
Quasi-one-dimensional metals on semiconductor surfaces with defects

International Nuclear Information System (INIS)

Hasegawa, Shuji

2010-01-01

Several examples are known in which massive arrays of metal atomic chains are formed on semiconductor surfaces that show quasi-one-dimensional metallic electronic structures. In this review, Au chains on Si(557) and Si(553) surfaces, and In chains on Si(111) surfaces, are introduced and discussed with regard to the physical properties determined by experimental data from scanning tunneling microscopy (STM), angle-resolved photoemission spectroscopy (ARPES) and electrical conductivity measurements. They show quasi-one-dimensional Fermi surfaces and parabolic band dispersion along the chains. All of them are known from STM and ARPES to exhibit metal-insulator transitions by cooling and charge-density-wave formation due to Peierls instability of the metallic chains. The electrical conductivity, however, reveals the metal-insulator transition only on the less-defective surfaces (Si(553)-Au and Si(111)-In), but not on a more-defective surface (Si(557)-Au). The latter shows an insulating character over the whole temperature range. Compared with the electronic structure (Fermi surfaces and band dispersions), the transport property is more sensitive to the defects. With an increase in defect density, the conductivity only along the metal atomic chains was significantly reduced, showing that atomic-scale point defects decisively interrupt the electrical transport along the atomic chains and hide the intrinsic property of transport in quasi-one-dimensional systems.
Polymer grafting surface as templates for the site-selective metallization

Energy Technology Data Exchange (ETDEWEB)

Yang, Fang [College of Pharmacy, Guangxi University of Chinese Medicine, Nanning 530001 (China); College of Chemistry and Life Science, Guangxi Teachers Education University, Nanning 530001 (China); Li, Peiyuan, E-mail: lipearpear@yahoo.cn [College of Pharmacy, Guangxi University of Chinese Medicine, Nanning 530001 (China); Li, Xiangcheng [School of computer, electronics and information, Guangxi University, Nanning 530001 (China); Huo, Lini [College of Pharmacy, Guangxi University of Chinese Medicine, Nanning 530001 (China); Chen, Jinhao [College of Chemistry and Life Science, Guangxi Teachers Education University, Nanning 530001 (China); Chen, Rui [College of Pharmacy, Guangxi University of Chinese Medicine, Nanning 530001 (China); Na, Wei; Tang, Wanning; Liang, Lifang [College of Chemistry and Life Science, Guangxi Teachers Education University, Nanning 530001 (China); Su, Wei, E-mail: aaasuwei@yahoo.com.cn [College of Chemistry and Life Science, Guangxi Teachers Education University, Nanning 530001 (China)

2013-06-01

We report a simple, low-cost and universal method for the fabrication of copper circuit patterns on a wide range of flexible polymeric substrates. This method relies on procedures to modify the polymeric substrates with grafted polymer template to form surface-bound N-containing groups, which can bind palladium catalysts that subsequently initiate the site-selective deposition of copper granular layer patterns. The fabrications of patterned copper films were demonstrated on three kinds of flexible polymeric films including poly(imide) (PI), poly(ethylene naphthalate) (PEN) and poly(ethylene terephthalate) (PET) with minimum feature sizes of 200 μm. The films were characterized by ATR FT-IR, contact angle, XPS, XRD, TEM, SEM. Furthermore, the copper layered structure shows good adhesion with polymeric film. This method, which provides a promising strategy for the fabrication of copper circuit patterns on flexible polymeric substrates, has the potential in manufacturing conductive features adopted in various fields including modern electronics, opto-electronics and photovoltaic applications.
Polymer grafting surface as templates for the site-selective metallization

International Nuclear Information System (INIS)

Yang, Fang; Li, Peiyuan; Li, Xiangcheng; Huo, Lini; Chen, Jinhao; Chen, Rui; Na, Wei; Tang, Wanning; Liang, Lifang; Su, Wei

2013-01-01

We report a simple, low-cost and universal method for the fabrication of copper circuit patterns on a wide range of flexible polymeric substrates. This method relies on procedures to modify the polymeric substrates with grafted polymer template to form surface-bound N-containing groups, which can bind palladium catalysts that subsequently initiate the site-selective deposition of copper granular layer patterns. The fabrications of patterned copper films were demonstrated on three kinds of flexible polymeric films including poly(imide) (PI), poly(ethylene naphthalate) (PEN) and poly(ethylene terephthalate) (PET) with minimum feature sizes of 200 μm. The films were characterized by ATR FT-IR, contact angle, XPS, XRD, TEM, SEM. Furthermore, the copper layered structure shows good adhesion with polymeric film. This method, which provides a promising strategy for the fabrication of copper circuit patterns on flexible polymeric substrates, has the potential in manufacturing conductive features adopted in various fields including modern electronics, opto-electronics and photovoltaic applications.
Arc-textured metal surfaces for high thermal emittance space radiators

International Nuclear Information System (INIS)

Banks, B.A.; Rutledge, S.K.; Mirtich, M.J.; Behrend, T.; Hotes, D.; Kussmaul, M.; Barry, J.; Stidham, C.; Stueber, T.; DiFilippo, F.

1994-01-01

Carbon arc electrical discharges struck across the surfaces of metals such as Nb-1% Zr, alter the morphology to produce a high thermal emittance surface. Metal from the surface and carbon from the arc electrode vaporize during arcing, and then condense on the metal surface to produce a microscopically rough surface having a high thermal emittance. Quantitative spectral reflectance measurements from 0.33 to 15 μm were made on metal surfaces which were carbon arc treated in an inert gas environment. The resulting spectral reflectance data were then used to calculate thermal emittance as a function of temperature for various methods of arc treatment. The results of arc treatment on various metals are presented for both ac and dc arcs. Surface characterization data, including thermal emittance as a function of temperature, scanning electron microscopy, and atomic oxygen durability, are also presented. Ac arc texturing was found to increase the thermal emittance at 800 K from 0.05. to 0.70
Effect of CO on surface oxidation of uranium metal

International Nuclear Information System (INIS)

Wang, X.; Fu, Y.; Xie, R.

1997-01-01

The surface reactions of uranium metal with carbon monoxide at 25 and 200 deg C have been studied by X-ray photoelectron spectroscopy (XPS);respectively. Adsorption of carbon monoxide on the surface layer of uranium metal leads to partial reduction of surface oxide and results in U4f photoelectron peak shifting to the lower binding energy. The content of oxygen in the surface oxide is decreased and O1s/O4f ratio decreases with increasing the exposure of carbon monoxide. The investigation indicates the surface layer of uranium metal has resistance to further oxidation in the atmosphere of carbon monoxide. (author)
Site-selective growth of surface-anchored metal-organic frameworks on self-assembled monolayer patterns prepared by AFM nanografting

Directory of Open Access Journals (Sweden)

Tatjana Ladnorg

2013-10-01

Full Text Available Surface anchored metal-organic frameworks, SURMOFs, are highly porous materials, which can be grown on modified substrates as highly oriented, crystalline coatings by a quasi-epitaxial layer-by-layer method (liquid-phase epitaxy, or LPE. The chemical termination of the supporting substrate is crucial, because the most convenient method for substrate modification is the formation of a suitable self-assembled monolayer. The choice of a particular SAM also allows for control over the orientation of the SURMOF. Here, we demonstrate for the first time the site-selective growth of the SURMOF HKUST-1 on thiol-based self-assembled monolayers patterned by the nanografting technique, with an atomic force microscope as a structuring tool. Two different approaches were applied: The first one is based on 3-mercaptopropionic acid molecules which are grafted in a 1-decanethiolate SAM, which serves as a matrix for this nanolithography. The second approach uses 16-mercaptohexadecanoic acid, which is grafted in a matrix of an 1-octadecanethiolate SAM. In both cases a site-selective growth of the SURMOF is observed. In the latter case the roughness of the HKUST-1 is found to be significantly higher than for the 1-mercaptopropionic acid. The successful grafting process was verified by time-of-flight secondary ion mass spectrometry and atomic force microscopy. The SURMOF structures grown via LPE were investigated and characterized by atomic force microscopy and Fourier-transform infrared microscopy.
Site-selective growth of surface-anchored metal-organic frameworks on self-assembled monolayer patterns prepared by AFM nanografting

Science.gov (United States)

Ladnorg, Tatjana; Welle, Alexander; Heißler, Stefan; Wöll, Christof

2013-01-01

Summary Surface anchored metal-organic frameworks, SURMOFs, are highly porous materials, which can be grown on modified substrates as highly oriented, crystalline coatings by a quasi-epitaxial layer-by-layer method (liquid-phase epitaxy, or LPE). The chemical termination of the supporting substrate is crucial, because the most convenient method for substrate modification is the formation of a suitable self-assembled monolayer. The choice of a particular SAM also allows for control over the orientation of the SURMOF. Here, we demonstrate for the first time the site-selective growth of the SURMOF HKUST-1 on thiol-based self-assembled monolayers patterned by the nanografting technique, with an atomic force microscope as a structuring tool. Two different approaches were applied: The first one is based on 3-mercaptopropionic acid molecules which are grafted in a 1-decanethiolate SAM, which serves as a matrix for this nanolithography. The second approach uses 16-mercaptohexadecanoic acid, which is grafted in a matrix of an 1-octadecanethiolate SAM. In both cases a site-selective growth of the SURMOF is observed. In the latter case the roughness of the HKUST-1 is found to be significantly higher than for the 1-mercaptopropionic acid. The successful grafting process was verified by time-of-flight secondary ion mass spectrometry and atomic force microscopy. The SURMOF structures grown via LPE were investigated and characterized by atomic force microscopy and Fourier-transform infrared microscopy. PMID:24205458
Surface free energy of alkali and transition metal nanoparticles

International Nuclear Information System (INIS)

Aqra, Fathi; Ayyad, Ahmed

2014-01-01

Graphical abstract: Size dependent surface free energy of spherical, cubic and disk Au nanoparticles. - Highlights: • A model to account for the surface free energy of metallic nanoparticles is described. • The model requires only the cohesive energy of the nanoparticle. • The surface free energy of a number of metallic nanoparticles has been calculated, and the obtained values agree well with existing data. • Surface energy falls down very fast when the number of atoms is less than hundred. • The model is applicable to any metallic nanoparticle. - Abstract: This paper addresses an interesting issue on the surface free energy of metallic nanoparticles as compared to the bulk material. Starting from a previously reported equation, a theoretical model, that involves a specific term for calculating the cohesive energy of nanoparticle, is established in a view to describe the behavior of surface free energy of metallic nanoparticles (using different shapes of particle: sphere, cube and disc). The results indicate that the behavior of surface energy is very appropriate for spherical nanoparticle, and thus, it is the most realistic shape of a nanoparticle. The surface energy of copper, silver, gold, platinum, tungsten, molybdenum, tantalum, paladium and alkali metallic nanoparticles is only prominent in the nanoscale size, and it decreases with the decrease of nanoparticle size. Thus, the surface free energy plays a more important role in determining the properties of nanoparticles than in bulk materials. It differs from shape to another, and falls down as the number of atoms (nanoparticle size) decreases. In the case of spherical nanoparticles, the onset of the sharp decrease in surface energy is observed at about 110 atom. A decrease of 16% and 45% in surface energy is found by moving from bulk to 110 atom and from bulk to 5 atom, respectively. The predictions are consistent with the reported data
[Heavy metals distribution characteristics and ecological risk evaluation in surface sediments of dammed Jinshan lake].

Science.gov (United States)

Zhou, Xiao-Hong; Liu, Long-Mei; Chen, Xi; Chen, Zhi-Gang; Zhang, Jin-Ping; Li, Yi-Min; Liu, Biao

2014-11-01

In order to reveal the pollution loading of heavy metals in Dammed Jinshan lake, six heavy metals (As, Cu, Pb, Cd, Zn, Cr) from 18 sediment samples were analyzed using ICP, and the distribution characteristics of heavy metals in the sediment were comprehensively evaluated through concentration coefficient, geo-acumulation indexes, potential ecological risk evaluation and traceability analysis. The results showed that (1) the average contents of As, Pb, Cu, Zn, Cr, Cd were 23.22, 26.20, 24.42, 143.12, 245.30 and 0.67 mg x kg(-1), respectively, in the surface sediments of dammed Jinshan Lake. The average contents of Pb and Cu were lower than the primary standard and secondary standards of soil environmental quality standards. The average contents of Zn and Cr were lower than the primary standard and higher than the secondary standards of soil environmental quality standards. The average contents of As and Cd were higher than the primary and secondary standards of soil environmental quality standards. From the spatial distribution, the contents of Pb and Zn were the highest at sampling site No. 1, which was located at the Beigushan Square. The contents of As,Cu, Cr, Cd were the highest at sampling sites Nos. 12, 3, 14, and 7, respectively; (2) The order of concentration coefficient was As > Cr > Cd > Pb > Zn > Cu, which indicated that the enrichment amount of As was the highest and that of Cu was the lowest; (3) Based on the geo-acumulation indexes, the Cu is clean and Pb, Zn, Cd is the light pollution and As, Cr moderate pollution; (4) The order of Potential ecological risk coefficient was Cd > As > Cr > Pb > Cu > Zn, Cr, Pb, Cu, Zn were of light ecological risk and As, Cd were of medium ecological risk. From the spatial distribution, the sampling sites Nos. 1, 6, 7 and 12 had medium potential ecological risk, and the rest sample points had slight potential ecological risk; (5) The principal component analysis (PCA) revealed that the main reason for the differences
Molecular metal catalysts on supports: organometallic chemistry meets surface science.

Science.gov (United States)

Serna, Pedro; Gates, Bruce C

2014-08-19

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

National Research Council Canada - National Science Library

Reisler, Hanna

1998-01-01

.... At low incident energies rotational and translational temperatures of scattered HCl were equal to the surface temperature, and residence times in the millisecond regime were observed at low surface temperature. When HCl(v=2, J=1...

Surface energies of metals in both liquid and solid states

International Nuclear Information System (INIS)

Aqra, Fathi; Ayyad, Ahmed

2011-01-01

Although during the last years one has seen a number of systematic studies of the surface energies of metals, the aim and the scientific meaning of this research is to establish a simple and a straightforward theoretical model to calculate accurately the mechanical and the thermodynamic properties of metal surfaces due to their important application in materials processes and in the understanding of a wide range of surface phenomena. Through extensive theoretical calculations of the surface tension of most of the liquid metals, we found that the fraction of broken bonds in liquid metals (f) is constant which is equal to 0.287. Using our estimated f value, the surface tension (γ m ), surface energy (γ SV ), surface excess entropy (-dγ/dT), surface excess enthalpy (H s ), coefficient of thermal expansion (α m and α b ), sound velocity (c m ) and its temperature coefficient (-dc/dT) have been calculated for more than sixty metals. The results of the calculated quantities agree well with available experimental data.
Ion neutralization at metal surfaces by surface-plasmon excitation

International Nuclear Information System (INIS)

Almulhem, A.A.

1988-01-01

Electron capture by ions scattered from metal surfaces is usually assumed to occur via resonance tunneling or Auger neutralization. A new mechanism is proposed, wherein a surface plasmon is excited during the electron capture. The Fock-Tani transformation is used to transform the Hamiltonian into a form which explicitly contains a term that corresponds to this process. Using this term, the matrix elements are calculated analytically and used to evaluate the transition rate as a function of distance from the surface. Since this is a rearrangement process, the matrix element contains an orthogonalization term. The theory is applied to the scattering of protons from an aluminum surface in which the proton captures an electron into the 1s state. From the results obtained for the transition rate and neutral fractions, it is concluded that this process is important, at least in the low energy region. When the calculations are done with the orthogonalization term in the matrix element neglected, the transition rate and neutral fraction increased appreciably. This shows the importance of this term, and implies that it cannot be neglected as was done in other theories of neutralization at metal surfaces
State promotion and neutralization of ions near metal surface

International Nuclear Information System (INIS)

Zinoviev, A.N.

2011-01-01

Research highlights: → Multiply charged ion and the charge induced in the metal form a dipole. → Dipole states are promoted into continuum with decreasing ion-surface distance. → These states cross the states formed from metal atom. → Proposed model explains the dominant population of deep bound states. → Observed spectra of emitted Auger electrons prove this promotion model. -- Abstract: When a multiply charged ion with charge Z approaches the metal surface, a dipole is formed by the multiply charged ion and the charge induced in the metal. The states for such a dipole are promoted into continuum with decreasing ion-surface distance and cross the states formed from metal atom. The model proposed explains the dominant population of deep bound states in collisions considered.
Dynamic interactions of Leidenfrost droplets on liquid metal surface

Science.gov (United States)

Ding, Yujie; Liu, Jing

2016-09-01

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

Directory of Open Access Journals (Sweden)

Leita L.

2013-04-01

Full Text Available Many years of research have demonstrated that instead of the total concentration of metals in soil, bioavailability is the key to understand the environmental risk derived by metals, since adverse effects are related only to the biologically available forms of these elements. The knowledge of bioavailability can decrease the uncertainties in evaluating exposure in human and ecological risk assessment. At the same time, the efficiency of remediation treatments could be greatly influenced by availability of the contaminants. Consideration of the bioavailability processes at contaminated sites could be useful in site-specific risk assessment: the fraction of mobile metals, instead of total content should be provided as estimates of metal exposure. Moreover, knowledge of the chemical forms of heavy metals in soils is a critical component in the evaluation of applicability of different remediation technologies such as phytoremdiation or soil washing.
Distance of the image plane from metal surfaces

International Nuclear Information System (INIS)

Smith, N.V.; Chen, C.T.; Weinert, M.

1989-01-01

The data base of surface-state energies on the metals Cu, Ag, Au, Ni, Pd, and Pt is assembled and, with the aid of a simple model, is used to estimate the distance of the image plane and its trends from surface to surface and metal to metal. The model combines a nearly-free-electron representation of the crystal with a Jones-Jennings-Jepsen ansatz for the saturated image barrier. The projected bulk-band gaps are taken from published determinations. Constraints are placed on the surface barrier parameters by appeal to the results of self-consistent first-principles slab calculations. The general experimental trend observed is for the image-plane distance z 0 to decrease in the sequence (111) to (001) to (110), in the same sense but not as rapidly as z J , the distance of the effective jellium edge. This trend is rationalized using a simple model of the tail of the surface charge density. Typical values for z 0 -z J fall in the range -0.2 to +0.5 a.u., with the larger values occurring for the 3d metals Cu and Ni
Site-selective substitutional doping with atomic precision on stepped Al (111) surface by single-atom manipulation.

Science.gov (United States)

Chen, Chang; Zhang, Jinhu; Dong, Guofeng; Shao, Hezhu; Ning, Bo-Yuan; Zhao, Li; Ning, Xi-Jing; Zhuang, Jun

2014-01-01

In fabrication of nano- and quantum devices, it is sometimes critical to position individual dopants at certain sites precisely to obtain the specific or enhanced functionalities. With first-principles simulations, we propose a method for substitutional doping of individual atom at a certain position on a stepped metal surface by single-atom manipulation. A selected atom at the step of Al (111) surface could be extracted vertically with an Al trimer-apex tip, and then the dopant atom will be positioned to this site. The details of the entire process including potential energy curves are given, which suggests the reliability of the proposed single-atom doping method.
The interaction between non-metallic inclusions and surface roughness in fatigue failure and their influence on fatigue strength

International Nuclear Information System (INIS)

Saberifar, S.; Mashreghi, A.R.; Mosalaeepur, M.; Ghasemi, S.S.

2012-01-01

Highlights: ► The fatigue strength of a tested steel was affected by inclusions and surface notches. ► Inclusions were the main fatigue crack sources even in rough specimens. ► The stress intensity factor represented the behavior of inclusions properly. ► In rough steels the effect of inclusions was intensified by surface roughness. ► The critical inclusion size increased when surface roughness was removed. -- Abstract: In this study, the influence of non-metallic inclusions on the fatigue behavior of 30MnVS6 steel containing different inclusion sizes and surface roughness has been investigated. Scanning electron microscope (SEM) was used to examine fatigue fracture origins. It was concluded that the non-metallic inclusions were dominant fatigue crack initiation sites in both smooth and rough specimens. This was justified by the calculation of stress intensity factor generated by both surface roughness and non-metallic inclusions, based on Murakami’s model. In addition, it was found that for a given stress, the critical inclusion size could be increased by eliminating the surface roughness.
Surface analysis applied to metal-ceramic and bioceramic interfacial bonding

International Nuclear Information System (INIS)

Smart, R.St.C.; Arora, P.S.; Steveson, M.; Kawashima, N.; Cavallaro, G.P.; Ming, H.; Skinner, W.M.

1999-01-01

Full text: Low temperature plasma reactions, combined with sol-gel coatings, have been used to produce a variety of ceramic surface layers on metal substrates and interfacial layers between metals and oxides or other ceramics. These layers can be designed to be compositionally and functionally graded from the metal to bulk ceramic material, eg. silica, alumina, hydroxyapatite. The graded layers are generally <50nm thick, continuous, fully bonded to the substrate and deformable without disbonding. The objectives in design of these layers have been to produce: metal surfaces protected from oxidation, corrosion and acid attack; improved metal-ceramic bonding; and bioceramic titanium-based interfaces to bioactive hydroxyapatite for improved dental and medical implants. Modified Auger parameter studies for Si in XPS spectra show that the structure on the metal surfaces grades from amorphous, dehydroxylated silica on the outer surface through layer silicates, chain silicates, pyrosilicates to orthosilicates close to the metal interface. At the metal interface, detached grains of the metal are imaged with interpenetration of the oxide and silicate species linking the layer to the oxidised metal surface. The ∼30nm layer has a substantially increased frictional load compared with the untreated oxidised metal, i.e. behaviour consistent with either stronger adhesion of the coating to the substrate or a harder surface. The composition, structure and thickness of these layers can be controlled by the duration of each plasma reaction and the choice of the final reagent. The mechanisms of reaction in each process step have been elucidated with a combination of XPS, TOF-SIMS, TEM, SEM and FTIR. Similar, graded titanium/oxide/silicate/silica ceramic surface layers have been shown to form using the low temperature plasma reactions on titanium alloys used in medical and dental implants. Thicker (i.e. μm) overlayers of ceramic materials can be added to the graded surface layers
Development of Surface-Modified Polyacrylonitrile Fibers and Their Selective Sorption Behavior of Precious Metals

Directory of Open Access Journals (Sweden)

Areum Lim

2016-11-01

Full Text Available The purpose of this study was to design a powerful fibrous sorbent for recovering precious metals such as Pd(II and Pt(IV, and moreover for identifying its selectivity toward Pd(II or Pt(IV from a binary metal solution. For the development of the sorbent, polyacrylonitrile (PAN was selected as a model textile because its morphological property (i.e., thin fiber form is suitable for fast adsorption processes, and a high amount of PAN has been discharged from industrial textile factories. The PAN fiber was prepared by spinning a PAN–dimethylsulfoxide mixture into distilled water, and then its surface was activated through amidoximation so that the fiber surface could possess binding sites for Pd(II and Pt(IV. Afterwards, by Fourier-transform infrared (FT-IR and scanning electron microscopy (SEM analyses, it was confirmed that the amidoximation reaction successfully occurred. The surface-activated fiber, designated as PAN–oxime fiber, was used to adsorb and recover precious metals. In the experiment results, it was clearly observed that adsorption capacity of PAN–oxime fiber was significantly enhanced compared to the raw material form. Actually, the raw material does not have sorption capacity for the metals. In a comparison study with commercial sorbent (Amberjet™ 4200, it was found that adsorption capacity of PAN–oxime was rather lower than that of Amberjet™ 4200, however, in the aspects of sorption kinetics and metal selectivity, the new sorbent has much faster and better selectivity.
Uptake of heavy metals by Typha capensis from wetland sites polluted by effluent from mineral processing plants: implications of metal-metal interactions.

Science.gov (United States)

Zaranyika, M F; Nyati, W

2017-10-01

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

Science.gov (United States)

Liu, C. S.; Kumar, Gagan; Singh, D. B.; Tripathi, V. K.

2007-12-01

Two parallel metal sheets, separated by a vacuum region, support a surface plasma wave whose amplitude is maximum on the two parallel interfaces and minimum in the middle. This mode can be excited by a laser using a glass prism. An electron beam launched into the middle region experiences a longitudinal ponderomotive force due to the surface plasma wave and gets accelerated to velocities of the order of phase velocity of the surface wave. The scheme is viable to achieve beams of tens of keV energy. In the case of a surface plasma wave excited on a single metal-vacuum interface, the field gradient normal to the interface pushes the electrons away from the high field region, limiting the acceleration process. The acceleration energy thus achieved is in agreement with the experimental observations.
Comparison of reactivity on step and terrace sites of Pd (3 3 2) surface for the dissociative adsorption of hydrogen: A quantum chemical molecular dynamics study

International Nuclear Information System (INIS)

Ahmed, Farouq; Nagumo, Ryo; Miura, Ryuji; Ai, Suzuki; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Miyamoto, Akira

2011-01-01

The notion of 'active sites' is fundamental to heterogeneous catalysis. However, the exact nature of the active sites, and hence the mechanism by which they act, are still largely a matter of speculation. In this study, we have presented a systematic quantum chemical molecular dynamics (QCMD) calculations for the interaction of hydrogen on different step and terrace sites of the Pd (3 3 2) surface. Finally the dissociative adsorption of hydrogen on step and terrace as well as the influence of surface hydrogen vacancy for the dissociative adsorption of hydrogen has been investigated through QCMD. This is a state-of-the-art method for calculating the interaction of atoms and molecules with metal surfaces. It is found that fully hydrogen covered (saturated) step sites can dissociate hydrogen moderately and that a monovacancy surface is suitable for significant dissociative adsorption of hydrogen. However in terrace site of the surface we have found that dissociation of hydrogen takes place only on Pd sites where the metal atom is not bound to any pre-adsorbed hydrogen atoms. Furthermore, from the molecular dynamics and electronic structure calculations, we identify a number of consequences for the interpretation and modeling of diffusion experiments demonstrating the coverage and directional dependence of atomic hydrogen diffusion on stepped palladium surface.
Surface metal standards produced by ion implantation through a removable layer

International Nuclear Information System (INIS)

Schueler, B.W.; Granger, C.N.; McCaig, L.; McKinley, J.M.; Metz, J.; Mowat, I.; Reich, D.F.; Smith, S.; Stevie, F.A.; Yang, M.H.

2003-01-01

Surface metal concentration standards were produced by ion implantation and investigated for their suitability to calibrate surface metal measurements by secondary ion mass spectrometry (SIMS). Single isotope implants were made through a 100 nm oxide layer on silicon. The implant energies were chosen to place the peak of the implanted species at a depth of 100 nm. Subsequent removal of the oxide layer was used to expose the implant peak and to produce controlled surface metal concentrations. Surface metal concentration measurements by time-of-flight SIMS (TOF-SIMS) with an analysis depth of 1 nm agreed with the expected surface concentrations of the implant standards with a relative mean standard deviation of 20%. Since the TOF-SIMS relative sensitivity factors (RSFs) were originally derived from surface metal measurements of surface contaminated silicon wafers, the agreement implies that the implant standards can be used to measure RSF values. The homogeneity of the surface metal concentration was typically <10%. The dopant dose remaining in silicon after oxide removal was measured using the surface-SIMS protocol. The measured implant dose agreed with the expected dose with a mean relative standard deviation of 25%
Surface Functionalization of g-C 3 N 4 : Molecular-Level Design of Noble-Metal-Free Hydrogen Evolution Photocatalysts

KAUST Repository

Chen, Yin; Lin, Bin; Yu, Weili; Yang, Yong; Bashir, Shahid M.; Wang, Hong; Takanabe, Kazuhiro; Idriss, Hicham; Basset, Jean-Marie

2015-01-01

A stable noble-metal-free hydrogen evolution photocatalyst based on graphite carbon nitride (g-C3N4) was developed by a molecular-level design strategy. Surface functionalization was successfully conducted to introduce a single nickel active site
Formation of nanocrystalline surface layers in various metallic materials by near surface severe plastic deformation

Directory of Open Access Journals (Sweden)

Masahide Sato, Nobuhiro Tsuji, Yoritoshi Minamino and Yuichiro Koizumi

2004-01-01

Full Text Available The surface of the various kinds of metallic materials sheets were severely deformed by wire-brushing at ambient temperature to achieve nanocrystalline surface layer. The surface layers of the metallic materials developed by the near surface severe plastic deformation (NS-SPD were characterized by means of TEM. Nearly equiaxed nanocrystals with grain sizes ranging from 30 to 200 nm were observed in the near surface regions of all the severely scratched metallic materials, which are Ti-added ultra-low carbon interstitial free steel, austenitic stainless steel (SUS304, 99.99 wt.%Al, commercial purity aluminum (A1050 and A1100, Al–Mg alloy (A5083, Al-4 wt.%Cu alloy, OFHC-Cu (C1020, Cu–Zn alloy (C2600 and Pb-1.5%Sn alloy. In case of the 1050-H24 aluminum, the depth of the surface nanocrystalline layer was about 15 μm. It was clarified that wire-brushing is an effective way of NS-SPD, and surface nanocrystallization can be easily achieved in most of metallic materials.
Analysis of surface bond lengths reported for chemisorption on metal surfaces

Science.gov (United States)

Mitchell, K. A. R.

1985-01-01

A review is given of bond length information available from the techniques of surface crystallography (particularly with LEED, SEXAFS and photoelectron diffraction) for chemisorption on well-defined surfaces of metals (M). For adsorbed main-group atoms (X), measured X-M interatomic distances for 38 combinations of X and M have been assessed with a bond order-bond length relation in combination with the Schomaker-Stevenson approach for determining single-bond lengths. When the surface bond orders are fixed primarily by the valency of X, this approach appears to provide a simple framework for predicing X-M surface bond lengths. Further, in cases where agreement has been reached from different surface crystallographic techniques, this framework has the potential for assessing refinements to the surface bonding model (e.g. in determining the roles of the effective surface valency of M, and of coordinate bonding and supplementary π bonding between X and M). Preliminary comparisons of structural data are also given for molecular adsorption (CO and ethylidyne) and for the chemisorption of other metal atoms.
Metal surface corrosion grade estimation from single image

Science.gov (United States)

Chen, Yijun; Qi, Lin; Sun, Huyuan; Fan, Hao; Dong, Junyu

2018-04-01

Metal corrosion can cause many problems, how to quickly and effectively assess the grade of metal corrosion and timely remediation is a very important issue. Typically, this is done by trained surveyors at great cost. Assisting them in the inspection process by computer vision and artificial intelligence would decrease the inspection cost. In this paper, we propose a dataset of metal surface correction used for computer vision detection and present a comparison between standard computer vision techniques by using OpenCV and deep learning method for automatic metal surface corrosion grade estimation from single image on this dataset. The test has been performed by classifying images and calculating the accuracy for the two different approaches.
Tuning apparent friction coefficient by controlled patterning bulk metallic glasses surfaces

Science.gov (United States)

Li, Ning; Xu, Erjiang; Liu, Ze; Wang, Xinyun; Liu, Lin

2016-12-01

Micro-honeycomb structures with various pitches between adjacent cells were hot-embossed on Zr35Ti30Cu8.25Be26.75 bulk metallic glass surface. The effect of pitch geometry on the frictional behavior of metallic glass surface was systematically investigated. The results revealed that all textured metallic glass surfaces show a reduction in friction coefficient compared to smooth surface. More intriguingly, the friction coefficient first decreased and then increased gradually with increasing pitches. Such unique behavior can be understood fundamentally from the perspective of competing effects between contact area and local stress level with increasing pitches. This finding not only enhance the in-depth understanding of the mechanism of the significant role of surface topography on the frictional behavior of metallic glass surface, but also opens a new route towards other functional applications for bulk metallic glasses.
ELECTROCATALYSIS ON SURFACES MODIFIED BY METAL MONOLAYERS DEPOSITED AT UNDERPOTENTIALS.

Energy Technology Data Exchange (ETDEWEB)

ADZIC,R.

2000-12-01

The remarkable catalytic properties of electrode surfaces modified by monolayer amounts of metal adatoms obtained by underpotential deposition (UPD) have been the subject of a large number of studies during the last couple of decades. This interest stems from the possibility of implementing strictly surface modifications of electrocatalysts in an elegant, well-controlled way, and these bi-metallic surfaces can serve as models for the design of new catalysts. In addition, some of these systems may have potential for practical applications. The UPD of metals, which in general involves the deposition of up to a monolayer of metal on a foreign substrate at potentials positive to the reversible thermodynamic potential, facilitates this type of surface modification, which can be performed repeatedly by potential control. Recent studies of these surfaces and their catalytic properties by new in situ surface structure sensitive techniques have greatly improved the understanding of these systems.

Controlled fabrication of semiconductor-metal hybrid nano-heterostructures via site-selective metal photodeposition

Science.gov (United States)

Vela Becerra, Javier; Ruberu, T. Purnima A.

2017-12-05

A method of synthesizing colloidal semiconductor-metal hybrid heterostructures is disclosed. The method includes dissolving semiconductor nanorods in a solvent to form a nanorod solution, and adding a precursor solution to the nanorod solution. The precursor solution contains a metal. The method further includes illuminating the combined precursor and nanorod solutions with light of a specific wavelength. The illumination causes the deposition of the metal in the precursor solution onto the surface of the semiconductor nanorods.
Contaminants in surface water and sediments near the Tynagh silver mine site, County Galway, Ireland

Energy Technology Data Exchange (ETDEWEB)

O' Neill, A. [School of Planning, Architecture and Civil Engineering, Queen' s University of Belfast, Belfast, Northern Ireland (United Kingdom); Phillips, D.H., E-mail: d.phillips@qub.ac.uk [School of Planning, Architecture and Civil Engineering, Queen' s University of Belfast, Belfast, Northern Ireland (United Kingdom); Bowen, J. [School of Planning, Architecture and Civil Engineering, Queen' s University of Belfast, Belfast, Northern Ireland (United Kingdom); Sen Gupta, B. [School of the Built Environment, Hariot-Watt University, Edinburgh, Scotland (United Kingdom)

2015-04-15

A former silver mine in Tynagh, Co. Galway, Ireland is one of the most contaminated mine sites in Europe with maximum concentrations of Zn, As, Pb, Mn, Ni, Cu, and Cd far exceeding guideline values for water and sediment. The aims of this research were to 1) further assess the contamination, particularly metals, in surface water and sediment around the site, and 2) determine if the contamination has increased 10 years after the Environmental Protection Agency Ireland (EPAI) identified off-site contamination. Site pH is alkaline to neutral because CaCO{sub 3}-rich sediment and rock material buffer the exposed acid generating sulphide-rich ore. When this study was compared to the previous EPAI study conducted 10 years earlier, it appeared that further weathering of exposed surface sediment had increased concentrations of As and other potentially toxic elements. Water samples from the tailings ponds and adjacent Barnacullia Stream had concentrations of Al, Cd, Mn, Zn and Pb above guideline values. Lead and Zn concentrations from the tailings pond sediment were 16 and 5 times higher, respectively, than concentrations reported 10 years earlier. Pb and Zn levels in most sediment samples exceeded the Expert Group (EGS) guidelines of 1000 and 5000 mg/kg, respectively. Arsenic concentrations were as high as 6238 mg/kg in the tailings ponds sediment, which is 62 and 862 times greater than the EGS and Canadian Soil Quality Guidelines (CSQG), respectively. Cadmium, Cu, Fe, Mn, Pb and Zn concentrations in water and sediment were above guideline values downstream of the site. Additionally, Fe, Mn and organic matter (OM) were strongly correlated and correlated to Zn, Pb, As, Cd, Cu and Ni in stream sediment. Therefore, the nearby Barnacullia Stream is also a significant pathway for contaminant transport to downstream areas. Further rehabilitation of the site may decrease the contamination around the area. - Highlights: • Tynagh silver mine in Co. Galway, Ireland is a source of
Surface studies of liquid metals and alloys

International Nuclear Information System (INIS)

Bastasz, Robert

2003-01-01

Liquid metals and alloys have been proposed for use in nuclear fusion reactors to serve as replaceable plasma-facing surfaces that remove particles and heat from reacting plasmas. Several materials are being considered for this purpose including lithium, gallium, and tin as well as some of the alloys made from these elements. In order to better understand the properties of liquid surfaces, the technique of low-energy ion scattering was used to examine the surface composition of several of these materials in vacuum as a function of temperature. Oxygen is found to rapidly segregate to the surface of several metallic liquids. The segregation process can be interpreted using a simple thermodynamic model based on Gibbs theory. In the case of an alloy of Sn and Li, Li also segregates to the liquid surface. This provides a means to produce a surface enriched in Li, which is more plasma compatible than Sn, without the need to handle large quantities of liquid Li. (author)
Relationship between metal speciation in soil solution and metal adsorption at the root surface of ryegrass.

Science.gov (United States)

Kalis, Erwin J J; Temminghoff, Erwin J M; Town, Raewyn M; Unsworth, Emily R; van Riemsdijk, Willem H

2008-01-01

The total metal content of the soil or total metal concentration in the soil solution is not always a good indicator for metal availability to plants. Therefore, several speciation techniques have been developed that measure a defined fraction of the total metal concentration in the soil solution. In this study the Donnan Membrane Technique (DMT) was used to measure free metal ion concentrations in CaCl(2) extractions (to mimic the soil solution, and to work under standardized conditions) of 10 different soils, whereas diffusive gradients in thin-films (DGT) and scanning chronopotentiometry (SCP) were used to measure the sum of free and labile metal concentrations in the CaCl(2) extracts. The DGT device was also exposed directly to the (wetted) soil (soil-DGT). The metal concentrations measured with the speciation techniques are related to the metal adsorption at the root surface of ryegrass (Lolium perenne L.), to be able to subsequently predict metal uptake. In most cases the metal adsorption related pH-dependently to the metal concentrations measured by DMT, SCP, and DGT in the CaCl(2) extract. However, the relationship between metal adsorption at the root surface and the metal concentrations measured by the soil-DGT was not-or only slightly-pH dependent. The correlations between metal adsorption at the root surface and metal speciation detected by different speciation techniques allow discussion about rate limiting steps in biouptake and the contribution of metal complexes to metal bioavailability.
Metals other than uranium affected microbial community composition in a historical uranium-mining site.

Science.gov (United States)

Sitte, Jana; Löffler, Sylvia; Burkhardt, Eva-Maria; Goldfarb, Katherine C; Büchel, Georg; Hazen, Terry C; Küsel, Kirsten

2015-12-01

To understand the links between the long-term impact of uranium and other metals on microbial community composition, ground- and surface water-influenced soils varying greatly in uranium and metal concentrations were investigated at the former uranium-mining district in Ronneburg, Germany. A soil-based 16S PhyloChip approach revealed 2358 bacterial and 35 archaeal operational taxonomic units (OTU) within diverse phylogenetic groups with higher OTU numbers than at other uranium-contaminated sites, e.g., at Oak Ridge. Iron- and sulfate-reducing bacteria (FeRB and SRB), which have the potential to attenuate uranium and other metals by the enzymatic and/or abiotic reduction of metal ions, were found at all sites. Although soil concentrations of solid-phase uranium were high, ranging from 5 to 1569 μg·g (dry weight) soil(-1), redundancy analysis (RDA) and forward selection indicated that neither total nor bio-available uranium concentrations contributed significantly to the observed OTU distribution. Instead, microbial community composition appeared to be influenced more by redox potential. Bacterial communities were also influenced by bio-available manganese and total cobalt and cadmium concentrations. Bio-available cadmium impacted FeRB distribution while bio-available manganese and copper as well as solid-phase zinc concentrations in the soil affected SRB composition. Archaeal communities were influenced by the bio-available lead as well as total zinc and cobalt concentrations. These results suggest that (i) microbial richness was not impacted by heavy metals and radionuclides and that (ii) redox potential and secondary metal contaminants had the strongest effect on microbial community composition, as opposed to uranium, the primary source of contamination.
Correlations between deformations, surface state and leak rate in metal to metal contact; Correlations entre deformations, etat de surface et debit de fuite au contact metal-metal

Energy Technology Data Exchange (ETDEWEB)

Armand, G; Lapujoulade, J; Paigne, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1963-07-01

The study of metal to metal contact from the stand-point of the leak rate has been carried on a copper ring located between two hard-steel flanges. The analysis of the results confirms the hysteresis phenomenon already seen. Some curves (leak rate versus force and leak rate versus true deformation) in semi-logarithmic coordinates are straight lines. Likewise some curves (electrical contact resistance versus force) in bi-logarithmic coordinates are straight lines. All these results can be understood by looking at the conductance introduced by the deformations of the micro-geometry of the surfaces in contact. Some tests carried out in rising the temperature confirm these hypothesis. (authors) [French] L'etude du contact metal-metal du point de vue debit de fuite a ete poursuivie en utilisant un anneau de cuivre place entre brides d'acier dur. L'analyse des resultats confirme le phenomene d'hysteresis deja constate, montre l'influence de l'etat de surface des brides et du joint. Certaines courbes (debit de fuite/force et debit de fuite/deformation rationnelle), en coordonnees semi-logarithmiques, sont des droites. De meme, certaines courbes (resistance de contact/force) en coordonnees bi-logarithmiques, sont des droites. Ces resultats s'interpretent en considerant la conductance produite par la deformation des microgeometries des surfaces en contact. Quelques essais d'elevation de temperature confirment ces resultats. (auteurs)
Linking interfacial chemistry of CO2 to surface structures of hydrated metal oxide nanoparticles: hematite.

Science.gov (United States)

Chernyshova, Irina V; Ponnurangam, Sathish; Somasundaran, Ponisseril

2013-05-14

A better understanding of interaction with dissolved CO2 is required to rationally design and model the (photo)catalytic and sorption processes on metal (hydr)oxide nanoparticles (NPs) in aqueous media. Using in situ FTIR spectroscopy, we address this problem for rhombohedral 38 nm hematite (α-Fe2O3) nanoparticles as a model. We not only resolve the structures of the adsorbed carbonate species, but also specify their adsorption sites and their location on the nanoparticle surface. The spectral relationships obtained present a basis for a new method of characterizing the microscopic structural and acid-base properties (related to individual adsorption sites) of hydrated metal (hydr)oxide NPs using atmospherically derived CO2 as a probe. Specifically, we distinguish two carbonate species suggesting two principally different adsorption mechanisms. One species, which is more weakly adsorbed, has an inner-sphere mononuclear monodentate structure which is formed by a conventional ligand-exchange mechanism. At natural levels of dissolved carbonate and pH from 3 to 11, this species is attached to the most acidic/reactive surface cations (surface states) associated with ferrihydrite-like surface defects. The second species, which is more strongly adsorbed, presents a mixed C and O coordination of bent CO2. This species uniquely recognizes the stoichiometric rhombohedral {104} facets in the NP texture. Like in gas phase, it is formed through the surface coordination of molecular CO2. We address how the adsorption sites hosting these two carbonate species are affected by the annealing and acid etching of the NPs. These results support the nanosize-induced phase transformation of hematite towards ferrihydrite under hydrous conditions, and additionally show that the process starts from the roughened areas of the facet intersections.
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/).
Cell surface engineering of microorganisms towards adsorption of heavy metals.

Science.gov (United States)

Li, Peng-Song; Tao, Hu-Chun

2015-06-01

Heavy metal contamination has become a worldwide environmental concern due to its toxicity, non-degradability and food-chain bioaccumulation. Conventional physical and chemical treatment methods for heavy metal removal have disadvantages such as cost-intensiveness, incomplete removal, secondary pollution and the lack of metal specificity. Microbial biomass-based biosorption is one of the approaches gaining increasing attention because it is effective, cheap, and environmental friendly and can work well at low concentrations. To enhance the adsorption properties of microbial cells to heavy metal ions, the cell surface display of various metal-binding proteins/peptides have been performed using a cell surface engineering approach. The surface engineering of Gram-negative bacteria, Gram-positive bacteria and yeast towards the adsorption of heavy metals are reviewed in this article. The problems and future perspectives of this technology are discussed.
Metals in bulk deposition and surface waters at two upland locations in northern England

Energy Technology Data Exchange (ETDEWEB)

Lawlor, A.J.; Tipping, E

2003-02-01

Surface water concentrations of potentially-toxic metals depend upon atmospheric deposition and catchment biogeochemical processes. - Concentrations of aluminium and minor metals (Mn, Ni, Cu, Zn, Sr, Cd, Ba, Pb) were measured in precipitation and surface water at two upland locations (Upper Duddon Valley, UDV; Great Dun Fell, GDF) in northern England for 1 year commencing April 1998. At both locations, the loads in bulk precipitation were at the lower ends of ranges reported for other rural and remote sites, for the period 1985-1995. The deposited metals were mostly in the dissolved form, and their concentrations tended to be greatest when rainfall volumes were low. The concentrations of Cu, Zn and Pb in deposition were correlated (r{sup 2}{>=}0.40) with concentrations of non-marine sulphate. Three streams, ranging in mean pH from 5.07 to 7.07, and with mean concentrations of dissolved organic carbon (DOC) <1 mg l{sup -1}, were monitored at UDV, and two pools (mean pH 4.89 and 6.83, mean DOC 22 and 15 mg l{sup -1}) at GDF. Aluminium and the minor metals were mainly in the dissolved form, and in the following ranges (means of 49-51 samples, {mu}g l{sup -1}): Al 36-530, Mn 4.4-36, Ni 0.26-2.8, Cu 0.25-1.7, Zn 2.1-30, Cd 0.03-0.16, Ba 1.9-140, Pb 0.10-4.5. Concentrations were generally higher at GDF. Differences in metal concentrations between the two locations and between waters at each location, and temporal variations in individual waters, can be explained qualitatively in terms of sorption to solid-phase soil organic matter and mineral surfaces, complexation and transport by DOC, and chemical weathering. The UDV catchments are sinks for Pb and sources of Al, Mn, Sr, Cd and Ba. The GDF catchments are sources of Al, Mn, Ni, Zn, Sr, Cd and Ba. Other metals measured at the two locations are approximately in balance. Comparison of metal:silicon ratios in the surface waters with values for silicate rocks indicates enrichment of Ni and Cu, and substantial enrichment of
Chemoselective single-site Earth-abundant metal catalysts at metal–organic framework nodes

Energy Technology Data Exchange (ETDEWEB)

Manna, Kuntal; Ji, Pengfei; Lin, Zekai; Greene, Francis X.; Urban, Ania; Thacker, Nathan C.; Lin, Wenbin (UC)

2016-08-30

Earth-abundant metal catalysts are critically needed for sustainable chemical synthesis. Here we report a simple, cheap and effective strategy of producing novel earth-abundant metal catalysts at metal–organic framework (MOF) nodes for broad-scope organic transformations. The straightforward metalation of MOF secondary building units (SBUs) with cobalt and iron salts affords highly active and reusable single-site solid catalysts for a range of organic reactions, including chemoselective borylation, silylation and amination of benzylic C–H bonds, as well as hydrogenation and hydroboration of alkenes and ketones. Our structural, spectroscopic and kinetic studies suggest that chemoselective organic transformations occur on site-isolated, electron-deficient and coordinatively unsaturated metal centres at the SBUs via σ-bond metathesis pathways and as a result of the steric environment around the catalytic site. MOFs thus provide a novel platform for the development of highly active and affordable base metal catalysts for the sustainable synthesis of fine chemicals.
Corrugated metal surface with pillars for terahertz surface plasmon polariton waveguide components

KAUST Repository

Yuehong, Xu; Yanfeng, Li; Chunxiu, Tian; Jiaguang, Han; Quan, Xu; Xueqian, Zhang; Xixiang, Zhang; Ying, Zhang; Weili, Zhang

2018-01-01

In the terahertz regime, due to perfect conductivity of most metals, it is hard to realize a strong confinement of Surface plasmon polaritons (SPPs) although a propagation loss could be sufficiently low. We experimentally demonstrated a structure with periodic pillars arranged on a thin metal surface that supports bound modes of spoof SPPs at terahertz (THz) frequencies. By using scanning near-field THz microscopy, the electric field distribution above the metal surface within a distance of 130 μm was mapped. The results proved that this structure could guide spoof SPPs propagating along subwavelength waveguides, and at the same time reduce field expansion into free space. Further, for the development of integrated optical circuits, several components including straight waveguide, S-bend, Y-splitter and directional couplers were designed and characterized by the same method. We believe that the waveguide components proposed here will pave a new way for the development of flexible, wideband and compact photonic circuits operating at THz frequencies.
Corrugated metal surface with pillars for terahertz surface plasmon polariton waveguide components

KAUST Repository

Yuehong, Xu

2018-01-12

In the terahertz regime, due to perfect conductivity of most metals, it is hard to realize a strong confinement of Surface plasmon polaritons (SPPs) although a propagation loss could be sufficiently low. We experimentally demonstrated a structure with periodic pillars arranged on a thin metal surface that supports bound modes of spoof SPPs at terahertz (THz) frequencies. By using scanning near-field THz microscopy, the electric field distribution above the metal surface within a distance of 130 μm was mapped. The results proved that this structure could guide spoof SPPs propagating along subwavelength waveguides, and at the same time reduce field expansion into free space. Further, for the development of integrated optical circuits, several components including straight waveguide, S-bend, Y-splitter and directional couplers were designed and characterized by the same method. We believe that the waveguide components proposed here will pave a new way for the development of flexible, wideband and compact photonic circuits operating at THz frequencies.
Near-Surface Sensing of Vegetative Heavy Metal Stress: Method Development for an Accelerated Assessment of Mine Tailing Waste and Remediation Efforts

Science.gov (United States)

Lee, M. T.; Gottfried, M.; Berglund, E.; Rodriguez, G.; Ceckanowicz, D. J.; Cutter, N.; Badgeley, J.

2014-12-01

The boom and bust history of mineral extraction in the American southwest is visible today in tens of thousands of abandoned and slowly decaying mine installations that scar the landscape. Mine tailing piles, mounds of crushed mineral ore, often contain significant quantities of heavy metal elements which may leach into surrounding soils, surface water and ground water. Chemical analysis of contaminated soils is a tedious and time-consuming process. Regional assessment of heavy metal contamination for treatment prioritization would be greatly accelerated by the development of near-surface imaging indices of heavy-metal vegetative stress in western grasslands. Further, the method would assist in measuring the ongoing effectiveness of phytoremedatian and phytostabilization efforts. To test feasibility we ground truthed nine phytoremediated and two control sites sites along the mine-impacted Kerber Creek watershed in Saguache County, Colorado. Total metal concentration was determined by XRF for both plant and soil samples. Leachable metals were extracted from soil samples following US EPA method 1312. Plants were identified, sorted into roots, shoots and leaves, and digested via microwave acid extraction. Metal concentrations were determined with high accuracy by ICP-OES analysis. Plants were found to contain significantly higher concentrations of heavy metals than surrounding soils, particularly for manganese (Mn), iron (Fe), copper (Cu), zinc (Zn), barium (Ba), and lead (Pb). Plant species accumulated and distributed metals differently, yet most showed translocation of metals from roots to above ground structures. Ground analysis was followed by near surface imaging using an unmanned aerial vehicle equipped with visible/near and shortwave infrared (0.7 to 1.5 μm) cameras. Images were assessed for spectral shifts indicative of plant stress and attempts made to correlate results with measured soil and plant metal concentrations.
Preserving half-metallic surface states in Cr O2 : Insights into surface reconstruction rules

Science.gov (United States)

Deng, Bei; Shi, X. Q.; Chen, L.; Tong, S. Y.

2018-04-01

The issue of whether the half-metallic (HM) nature of Cr O2 could be retained at its surface has been a standing problem under debate for a few decades, but until now is still controversial. Here, based on the density functional theory calculations we show, in startling contrast to the previous theoretical understandings, that the surfaces of Cr O2 favorably exhibit a half-metallic-semiconducting (SmC) transition driven by means of a surface electronic reconstruction largely attributed to the participation of the unexpected local charge carriers (LCCs), which convert the HM double exchange surface state into a SmC superexchange state and in turn, stabilize the surface as well. On the basis of the LCCs model, a new insight into the surface reconstruction rules is attained. Our novel finding not only provided an evident interpretation for the widely observed SmC character of Cr O2 surface, but also offered a novel means to improve the HM surface states for a variety of applications in spintronics and superconductors, and promote the experimental realization of the quantum anomalous Hall effect in half-metal based systems.
Surface properties of ceramic/metal composite materials for thermionic converter applications

International Nuclear Information System (INIS)

Davis, P.R.; Bozack, M.J.; Swanson, L.W.

1983-01-01

Ceramic/metal composite electrode materials are of interest for thermionic energy conversion (TEC) applications for several reasons. These materials consist of submicron metal fibers or islands in an oxide matrix and therefore provide a basis for fabricating finely structured electrodes, with projecting or recessed metallic regions for more efficient electron emission or collection. Furthermore, evaporation and surface diffusion of matrix oxides may provide oxygen enhancement of cesium adsorption and work function lowering at both the collecting and emitting electrode surfaces of the TEC. Finally, the high work function oxide matrix or oxide-metal interfaces may provide efficient surface ionization of cesium for space-charge reduction in the device. The authors are investigating two types of ceramic/metal composite materials. One type is a directionally solidified eutectic consisting of a bulk oxide matrix such as UO 2 or stabilized ZrO 2 with parallel metal fibers (W) running through the oxide being exposed at the surface by cutting perpendicular to the fiber direction. The second type of material, called a surface eutectic, consists of a refractory substrate (Mo) with a thin layer of deposited and segregated material (Mo-Cr 2 O 3 -A1 2 O 3 ) on the surface. The final configuration of this layer is an oxide matrix with metallic islands scattered throughout
SURFACE GEOPHYSICAL EXPLORATION OF B, BX, and BY TANK FARMS AT THE HANFORD SITE: RESULTS OF BACKGROUND CHARACTERIZATION WITH MAGNETICS AND ELECTROMAGNETICS

International Nuclear Information System (INIS)

MYERS DA

2007-01-01

This report documents the results of preliminary surface geophysical exploration activities performed between October and December 2006 at the B, BX, and BY tank farms (B Complex). The B Complex is located in the 200 East Area of the U. S. Department of Energy's Hanford Site in Washington State. The objective of the preliminary investigation was to collect background characterization information with magnetic gradiometry and electromagnetic induction to understand the spatial distribution of metallic objects that could potentially interfere with the results from high resolution resistivity survey. Results of the background characterization show there are several areas located around the site with large metallic subsurface debris or metallic infrastructure
An unsaturated metal site-promoted approach to construct strongly coupled noble metal/HNb3O8 nanosheets for efficient thermo/photo-catalytic reduction.

Science.gov (United States)

Shen, Lijuan; Xia, Yuzhou; Lin, Sen; Liang, Shijing; Wu, Ling

2017-10-05

Creating two-dimensional (2D) crystal-metal heterostructures with an ultrathin thickness has spurred increasing research endeavors in catalysis because of its fascinating opportunities in tuning the electronic state at the surface and enhancing the chemical reactivity. Here we report a novel and facile Nb 4+ -assisted strategy for the in situ growth of highly dispersed Pd nanoparticles (NPs) on monolayer HNb 3 O 8 nanosheets (HNb 3 O 8 NS) constituting a 2D Pd/HNb 3 O 8 NS heterostructure composite without using extra reducing agents and stabilizing agents. The Pd NP formation is directed via a redox reaction between an oxidative Pd salt precursor (H 2 PdCl 4 ) and reductive unsaturated surface metal (Nb 4+ ) sites induced by light irradiation on monolayer HNb 3 O 8 NS. The periodic arrangement of metal Nb nodes on HNb 3 O 8 NS leads to a homogeneous distribution of Pd NPs. Density functional theory (DFT) calculations reveal that the direct redox reaction between the Nb 4+ and Pd 2+ ions leads to a strong chemical interaction between the formed Pd metal NPs and the monolayer HNb 3 O 8 support. Consequently, the as-obtained Pd/HNb 3 O 8 composite serves as a highly efficient bifunctional catalyst in both heterogeneous thermocatalytic and photocatalytic selective reduction of aromatic nitro compounds in water under ambient conditions. The achieved high activity originates from the unique 2D nanosheet configuration and in situ Pd incorporation, which leads to a large active surface area, strong metal-support interaction and enhanced charge transport capability. Moreover, this facile Nb 4+ -assisted synthetic route has demonstrated to be general, which can be applied to load other metals such as Au and Pt on monolayer HNb 3 O 8 NS. It is anticipated that this work can extend the facile preparation of noble metal/nanosheet 2D heterostructures, as well as promote the simultaneous capture of duple renewable thermal and photon energy sources to drive an energy efficient
Corrosion and surface modification on biocompatible metals: A review.

Science.gov (United States)

Asri, R I M; Harun, W S W; Samykano, M; Lah, N A C; Ghani, S A C; Tarlochan, F; Raza, M R

2017-08-01

Corrosion prevention in biomaterials has become crucial particularly to overcome inflammation and allergic reactions caused by the biomaterials' implants towards the human body. When these metal implants contacted with fluidic environments such as bloodstream and tissue of the body, most of them became mutually highly antagonistic and subsequently promotes corrosion. Biocompatible implants are typically made up of metallic, ceramic, composite and polymers. The present paper specifically focuses on biocompatible metals which favorably used as implants such as 316L stainless steel, cobalt-chromium-molybdenum, pure titanium and titanium-based alloys. This article also takes a close look at the effect of corrosion towards the implant and human body and the mechanism to improve it. Due to this corrosion delinquent, several surface modification techniques have been used to improve the corrosion behavior of biocompatible metals such as deposition of the coating, development of passivation oxide layer and ion beam surface modification. Apart from that, surface texturing methods such as plasma spraying, chemical etching, blasting, electropolishing, and laser treatment which used to improve corrosion behavior are also discussed in detail. Introduction of surface modifications to biocompatible metals is considered as a "best solution" so far to enhanced corrosion resistance performance; besides achieving superior biocompatibility and promoting osseointegration of biocompatible metals and alloys. Copyright © 2017 Elsevier B.V. All rights reserved.
Measuring the surface inhomogeneity of metals on accreting white dwarfs

International Nuclear Information System (INIS)

Montgomery, M H; Hippel, T von; Thompson, S E

2009-01-01

Due to the short settling times of metals in DA white dwarf atmospheres, any white dwarfs with photospheric metals must be actively accreting. It is therefore natural to expect that the metals may not be deposited uniformly on the surface of the star. We present calculations showing how the temperature variations associated with white dwarf pulsations lead to an observable diagnostic of the surface metal distribution, and we show what constraints current data sets are able to provide.

Metallization of DNA on silicon surface

International Nuclear Information System (INIS)

Puchkova, Anastasiya Olegovna; Sokolov, Petr; Petrov, Yuri Vladimirovich; Kasyanenko, Nina Anatolievna

2011-01-01

New simple way for silver deoxyribonucleic acid (DNA)-based nanowires preparation on silicon surface was developed. The electrochemical reduction of silver ions fixed on DNA molecule provides the forming of tightly matched zonate silver clusters. Highly homogeneous metallic clusters have a size about 30 nm. So the thickness of nanowires does not exceed 30–50 nm. The surface of n-type silicon monocrystal is the most convenient substrate for this procedure. The comparative analysis of DNA metallization on of n-type silicon with a similar way for nanowires fabrication on p-type silicon, freshly cleaved mica, and glass surface shows the advantage of n-type silicon, which is not only the substrate for DNA fixation but also the source of electrons for silver reduction. Images of bound DNA molecules and fabricated nanowires have been obtained using an atomic force microscope and a scanning ion helium microscope. DNA interaction with silver ions in a solution was examined by the methods of ultraviolet spectroscopy and circular dichroism.
Plasma immersion surface modification with metal ion plasma

International Nuclear Information System (INIS)

Brown, I.G.; Yu, K.M.; Godechot, X.

1991-04-01

We describe here a novel technique for surface modification in which metal plasma is employed and by which various blends of plasma deposition and ion implantation can be obtained. The new technique is a variation of the plasma immersion technique described by Conrad and co-workers. When a substrate is immersed in a metal plasma, the plasma that condenses on the substrate remains there as a film, and when the substrate is then implanted, qualitatively different processes can follow, including' conventional' high energy ion implantation, recoil implantation, ion beam mixing, ion beam assisted deposition, and metallic thin film and multilayer fabrication with or without species mixing. Multiple metal plasma guns can be used with different metal ion species, films can be bonded to the substrate through ion beam mixing at the interface, and multilayer structures can be tailored with graded or abrupt interfaces. We have fabricated several different kinds of modified surface layers in this way. 22 refs., 4 figs
Surface modification and functionalization of metal and metal oxide nanoparticles by organic ligands

NARCIS (Netherlands)

Neouze, M.A.; Schubert, U.S.

2008-01-01

Metal or metal oxide nanoparticles possess unique features compared to equivalent larger-scale materials. For applications, it is often necessary to stabilize or functionalize such nanoparticles. Thus, modification of the surface of nanoparticles is an important chemical challenge. In this survey,
Gasification of carbon deposits on catalysts and metal surfaces

Energy Technology Data Exchange (ETDEWEB)

Figueiredo, J L

1986-10-01

'Coke' deposited on catalysts and reactor surfaces includes a variety of carbons of different structures and origins, their reactivities being conveniently assessed by Temperature Programmed Reaction (TPR). The gasification of carbon deposits obtained in the laboratory under well controlled conditions, and the regeneration of coked catalysts from petroleum refining processes are reviewed and discussed. Filamentary carbon deposits, containing dispersed metal particles, behave as supported metal catalysts during gasification, and show high reactivities. Pyrolytic and acid catalysis carbons are less reactive on their own, as the gasification is not catalysed; however, metal components of the catalyst or metal impurities deposited on the surface may enhance gasification. 26 refs., 8 figs., 2 tabs.
Biomonitoring for metal contamination near two Superfund sites in Woburn, Massachusetts, using phytochelatins

International Nuclear Information System (INIS)

Gawel, James E.; Hemond, Harold F.

2004-01-01

Characterizing the spatial extent of groundwater metal contamination traditionally requires installing sampling wells, an expensive and time-consuming process in urban areas. Moreover, extrapolating biotic effects from metal concentrations alone is problematic, making ecological risk assessment difficult. Our study is the first to examine the use of phytochelatin measurements in tree leaves for delimiting biological metal stress in shallow, metal-contaminated groundwater systems. Three tree species (Rhamnus frangula, Acer platanoides, and Betula populifolia) growing above the shallow groundwater aquifer of the Aberjona River watershed in Woburn, Massachusetts, display a pattern of phytochelatin production consistent with known sources of metal contamination and groundwater flow direction near the Industri-Plex Superfund site. Results also suggest the existence of a second area of contaminated groundwater and elevated metal stress near the Wells G and H Superfund site downstream, in agreement with a recent EPA ecological risk assessment. Possible contamination pathways at this site are discussed
Diffusion and surface alloying of gradient nanostructured metals

Directory of Open Access Journals (Sweden)

Zhenbo Wang

2017-03-01

Full Text Available Gradient nanostructures (GNSs have been optimized in recent years for desired performance. The diffusion behavior in GNS metals is crucial for understanding the diffusion mechanism and relative characteristics of different interfaces that provide fundamental understanding for advancing the traditional surface alloying processes. In this paper, atomic diffusion, reactive diffusion, and surface alloying processes are reviewed for various metals with a preformed GNS surface layer. We emphasize the promoted atomic diffusion and reactive diffusion in the GNS surface layer that are related to a higher interfacial energy state with respect to those in relaxed coarse-grained samples. Accordingly, different surface alloying processes, such as nitriding and chromizing, have been modified significantly, and some diffusion-related properties have been enhanced. Finally, the perspectives on current research in this field are discussed.
Determination of heavy metals in soils from dump site of tanneries ...

African Journals Online (AJOL)

Heavy metals were determined in soil samples at the dump site, Challawa town, Karfi Irrigation site and farmlands near the dump site by flame Atomic Absorption Spectrophotometer (AAS). The results showed that soil at the dump site contains significant amount of toxic elements. Hence remediation processes were ...
Off-line testing of multifunctional surfaces for metal forming applications

DEFF Research Database (Denmark)

Godi, A.; Grønbæk, J.; De Chiffre, L.

2015-01-01

In this paper, Bending-Under-Tension, an off-line test method simulating deep-drawing, is chosen for investigating the effectiveness of multifunctional (MUFU) surfaces in metal forming operations. Four different MUFU surfaces, characterized by a plateau bearing area and grooves for lubricant...... retention, are manufactured, together with two polished references. During the tests, surface texture is the only variable. The results show how MUFU surfaces perform better than the polished references, which produce severe galling, while MUFU surfaces with low bearing area display no clear evidence...... of galling. Metal-to-metal contact occurs anyway, but the strip material is pulverized and deposited onto the tool instead of cold-welding to it. The pockets create a discontinuity on the texture hindering pick-up propagation....
Removal and treatment of radioactive, organochlorine, and heavy metal contaminants from solid surfaces

International Nuclear Information System (INIS)

Grieco, S.A.; Neubauer, E.D.

1996-01-01

The U.S. Department of Energy (DOE) is defining decontamination and decommissioning (D ampersand D) obligations at its sites. Current D ampersand D activities are generally labor intensive, use chemical reagents that are difficult to treat, and may expose workers to radioactive and hazardous chemicals. Therefore, new technologies are desired that minimize waste, allow much of the decommissioned materials to be reused rather than disposed of as waste, and produce wastes that will meet disposal criteria. The O'Brien ampersand Gere companies tested a scouring decontamination system on concrete and steel surfaces contaminated with radioactive and hazardous wastes under the sponsorship of Martin Marietta Energy Systems, Inc. (MMES) at DOE's K-25 former gaseous diffusion plant in Oak Ridge, Tennessee. The scouring system removes fixed radioactive and hazardous contamination yet leaves the surface intact. Blasting residuals are treated using physical/chemical processes. Bench- and pilot-scale testing of the system was conducted on surfaces contaminated with uranium, technetium, heavy metals, and PCBs. Areas of concrete and metal surfaces were blasted. Residuals were dissolved in tap water and treated for radioactive, hazardous, and organochlorine constituents. The treatment system comprised pH adjustment, aeration, solids settling, filtration, carbon adsorption, and ion exchange. This system produced treated water and residual solid waste. Testing demonstrated that the system is capable of removing greater than 95% of radioactive and PCB surface contamination to below DOE's unrestricted use release limits; aqueous radionuclides, heavy metals, and PCBs were below DOE and USEPA treatment objectives after treatment. Waste residuals volume was decreased by 71 %. Preliminary analyses suggest that this system provides significant waste volume reduction and is more economical than alternative surface decontamination techniques that are commercially available or under development
Ambient pressure photoemission spectroscopy of metal surfaces

Energy Technology Data Exchange (ETDEWEB)

Baikie, Iain D., E-mail: iain@kptechnology.ltd.uk; Grain, Angela C.; Sutherland, James; Law, Jamie

2014-12-30

Highlights: • Ambient pressure photoemission spectroscopy of metals. • Rastered photon energy scan overcomes inelastic scattering. • Relationship between photoemission threshold and contact potential difference. - Abstract: We describe a novel photoemission technique utilizing a traditional Kelvin probe as a detector of electrons/atmospheric ions ejected from metallic surfaces (Au, Ag, Cu, Fe, Ni, Ti, Zn, Al) illuminated by a deep ultra-violet (DUV) source under ambient pressure. To surmount the limitation of electron scattering in air the incident photon energy is rastered rather than applying a variable retarding electric field as is used with UPS. This arrangement can be applied in several operational modes: using the DUV source to determine the photoemission threshold (Φ) with 30–50 meV resolution and also the Kelvin probe, under dark conditions, to measure contact potential difference (CPD) between the Kelvin probe tip and the metallic sample with an accuracy of 1–3 meV. We have studied the relationship between the photoelectric threshold and CPD of metal surfaces cleaned in ambient conditions. Inclusion of a second spectroscopic visible source was used to confirm a semiconducting oxide, possibly Cu{sub 2}O, via surface photovoltage measurements with the KP. This dual detection system can be easily extended to controlled gas conditions, relative humidity control and sample heating/cooling.
Encapsulant Adhesion to Surface Metallization on Photovoltaic Cells

Energy Technology Data Exchange (ETDEWEB)

Tracy, Jared; Bosco, Nick; Dauskardt, Reinhold

2017-11-01

Delamination of encapsulant materials from PV cell surfaces often appears to originate at regions with metallization. Using a fracture mechanics based metrology, the adhesion of ethylene vinyl acetate (EVA) encapsulant to screen-printed silver metallization was evaluated. At room temperature, the fracture energy Gc [J/m2] of the EVA/silver interface (952 J/m2) was ~70% lower than that of the EVA/antireflective (AR) coating (>2900 J/m2) and ~60% lower than that of the EVA to the surface of cell (2265 J/m2). After only 300 h of damp heat aging, the adhesion energy of the silver interface dropped to and plateaued at ~50-60 J/m2 while that of the EVA/AR coating and EVA/cell remained mostly unchanged. Elemental surface analysis showed that the EVA separates from the silver in a purely adhesive manner, indicating that bonds at the interface were likely displaced in the presence of humidity and chemical byproducts at elevated temperature, which in part accounts for the propensity of metalized surfaces to delaminate in the field.
Vacuum-based surface modification of organic and metallic substrates

Science.gov (United States)

Torres, Jessica

Surface physico-chemical properties play an important role in the development and performance of materials in different applications. Consequently, understanding the chemical and physical processes involved during surface modification strategies is of great scientific and technological importance. This dissertation presents results from the surface modification of polymers, organic films and metallic substrates with reactive species, with the intent of simulating important modification processes and elucidating surface property changes of materials under different environments. The reactions of thermally evaporated copper and titanium with halogenated polytetrafluoroethylene (PTFE) and polyvinyl chloride (PVC) are used to contrast the interaction of metals with polymers. Results indicate that reactive metallization is thermodynamically favored when the metal-halogen bond strength is greater than the carbon-halogen bond strength. X-ray post-metallization treatment results in an increase in metal-halide bond formation due to the production of volatile halogen species in the polymer that react with the metallic overlayer. The reactions of atomic oxygen (AO) and atomic chlorine with polyethylene (PE) and self-assembled monolayers (SAMs) films were followed to ascertain the role of radical species during plasma-induced polymer surface modification. The reactions of AO with X-ray modified SAMs are initially the dominated by the incorporation of new oxygen containing functionality at the vacuum/film interface, leading to the production of volatile carbon containing species such as CO2 that erodes the hydrocarbon film. The reaction of atomic chlorine species with hydrocarbon SAMs, reveals that chlorination introduces C-Cl and C-Cl2 functionalities without erosion. A comparison of the reactions of AO and atomic chlorine with PE reveal a maximum incorporation of the corresponding C-O and C-Cl functionalities at the polymer surface. A novel method to prepare phosphorous
Metal/metal-oxide interfaces: A surface science approach to the study of adhesion

Energy Technology Data Exchange (ETDEWEB)

Peden, C.H.F.; Kidd, K.B.; Shinn, N.D. (Sandia National Laboratories, Albuquerque, New Mexico 87185-5800 (USA))

1991-05-01

Metal-oxide/metal interfaces play an important role, for example, in the joining of an oxide ceramic to a metal for sealing applications. In order to probe the chemical and physical properties of such an interface, we have performed Auger electron spectroscopic (AES) and temperature programed desorption (TPD) experiments on a model system composed of very thin films of Cr, Fe, Ni, or Cu evaporated onto a very thin thermally grown oxide on a W single crystal. Monolayer films of Fe and Cr were found (by AES) to completely wet the oxide surface upon deposition, and were stable up to temperatures at which the films desorbed ({approx}1300 K). In contrast, monolayer Ni and Cu films formed three-dimensional islands exposing the oxidized W surface either upon annealing (Ni) or even upon room-temperature deposition (Cu). The relative interfacial interaction between the overlayer metal and the oxide, as assessed by TPD, increases in the series Cu{lt}Ni{lt}Fe{lt}Cr. This trend follows the heats of formation of the various oxides of these metals.
Digitally Milled Metal Framework for Fixed Complete Denture with Metal Occlusal Surfaces: A Design Concept.

Science.gov (United States)

AlBader, Bader; AlHelal, Abdulaziz; Proussaefs, Periklis; Garbacea, Antonela; Kattadiyil, Mathew T; Lozada, Jaime

Implant-supported fixed complete dentures, often referred to as hybrid prostheses, have been associated with high implant survival rates but also with a high incidence of mechanical prosthetic complications. The most frequent of these complications have been fracture and wear of the veneering material. The proposed design concept incorporates the occlusal surfaces of the posterior teeth as part of a digital milled metal framework by designing the posterior first molars in full contour as part of the framework. The framework can be designed, scanned, and milled from a titanium blank using a milling machine. Acrylic resin teeth can then be placed on the framework by conventional protocol. The metal occlusal surfaces of the titanium-countered molars will be at centric occlusion. It is hypothesized that metal occlusal surfaces in the posterior region may reduce occlusal wear in these types of prostheses. When the proposed design protocol is followed, the connection between the metal frame and the cantilever part of the prosthesis is reinforced, which may lead to fewer fractures of the metal framework.
Modelling the appearance of heritage metallic surfaces

Directory of Open Access Journals (Sweden)

L. MacDonald

2014-06-01

Full Text Available Polished metallic surfaces exhibit a high degree of specularity, which makes them difficult to reproduce accurately. We have applied two different techniques for modelling a heritage object known as the Islamic handbag. Photogrammetric multi-view stereo enabled a dense point cloud to be extracted from a set of photographs with calibration targets, and a geometrically accurate 3D model produced. A new method based on photometric stereo from a set of images taken in an illumination dome enabled surface normals to be generated for each face of the object and its appearance to be rendered, to a high degree of visual realism, when illuminated by one or more light sources from any angles. The specularity of the reflection from the metal surface was modelled by a modified Lorentzian function.
Identification of metal ion binding sites based on amino acid sequences.

Science.gov (United States)

Cao, Xiaoyong; Hu, Xiuzhen; Zhang, Xiaojin; Gao, Sujuan; Ding, Changjiang; Feng, Yonge; Bao, Weihua

2017-01-01

The identification of metal ion binding sites is important for protein function annotation and the design of new drug molecules. This study presents an effective method of analyzing and identifying the binding residues of metal ions based solely on sequence information. Ten metal ions were extracted from the BioLip database: Zn2+, Cu2+, Fe2+, Fe3+, Ca2+, Mg2+, Mn2+, Na+, K+ and Co2+. The analysis showed that Zn2+, Cu2+, Fe2+, Fe3+, and Co2+ were sensitive to the conservation of amino acids at binding sites, and promising results can be achieved using the Position Weight Scoring Matrix algorithm, with an accuracy of over 79.9% and a Matthews correlation coefficient of over 0.6. The binding sites of other metals can also be accurately identified using the Support Vector Machine algorithm with multifeature parameters as input. In addition, we found that Ca2+ was insensitive to hydrophobicity and hydrophilicity information and Mn2+ was insensitive to polarization charge information. An online server was constructed based on the framework of the proposed method and is freely available at http://60.31.198.140:8081/metal/HomePage/HomePage.html.
Correlation between catalytic activity and bonding and coordination number of atoms and molecules on transition metal surfaces: theory and experimental evidence

International Nuclear Information System (INIS)

Falicov, L.M.; Somorjai, G.A.

1985-01-01

Correlation between catalytic activity and low-energy local electronic fluctuation in transition metals is proposed. A theory and calculations are presented which indicate that maximum electronic fluctuants take place at high-coordination metal sites. Either (i) atomically rough surfaces that expose to the reactant molecules atoms with large numbers of nonmagnetic or weakly magnetic neighbors in the first or second layer at the surface or (ii) stepped and kinked surfaces are the most active in carrying out structure-sensitive catalytic reactions. The synthesis of ammonia from N 2 and H 2 over iron and rhenium surfaces, 1 H 2 / 2 H 2 exchange over stepped platinum crystal surfaces at low pressures, and the hydrogenolysis (C - C bond breaking) of isobutane at kinked platinum crystal surfaces are presented as experimental evidence in support of the theory
Trace Metal Content of Sediments Close to Mine Sites in the Andean Region

Directory of Open Access Journals (Sweden)

Cristina Yacoub

2012-01-01

Full Text Available This study is a preliminary examination of heavy metal pollution in sediments close to two mine sites in the upper part of the Jequetepeque River Basin, Peru. Sediment concentrations of Al, As, Cd, Cu, Cr, Fe, Hg, Ni, Pb, Sb, Sn, and Zn were analyzed. A comparative study of the trace metal content of sediments shows that the highest concentrations are found at the closest points to the mine sites in both cases. The sediment quality analysis was performed using the threshold effect level of the Canadian guidelines (TEL. The sediment samples analyzed show that potential ecological risk is caused frequently at both sites by As, Cd, Cu, Hg, Pb, and Zn. The long-term influence of sediment metals in the environment is also assessed by sequential extraction scheme analysis (SES. The availability of metals in sediments is assessed, and it is considered a significant threat to the environment for As, Cd, and Sb close to one mine site and Cr and Hg close to the other mine site. Statistical analysis of sediment samples provides a characterization of both subbasins, showing low concentrations of a specific set of metals and identifies the main characteristics of the different pollution sources. A tentative relationship between pollution sources and possible ecological risk is established.
Bioavailability of particulate metal to zebra mussels: Biodynamic modelling shows that assimilation efficiencies are site-specific

Energy Technology Data Exchange (ETDEWEB)

Bourgeault, Adeline, E-mail: bourgeault@ensil.unilim.fr [Cemagref, Unite de Recherche Hydrosystemes et Bioprocedes, 1 rue Pierre-Gilles de Gennes, 92761 Antony (France); FIRE, FR-3020, 4 place Jussieu, 75005 Paris (France); Gourlay-France, Catherine, E-mail: catherine.gourlay@cemagref.fr [Cemagref, Unite de Recherche Hydrosystemes et Bioprocedes, 1 rue Pierre-Gilles de Gennes, 92761 Antony (France); FIRE, FR-3020, 4 place Jussieu, 75005 Paris (France); Priadi, Cindy, E-mail: cindy.priadi@eng.ui.ac.id [LSCE/IPSL CEA-CNRS-UVSQ, Avenue de la Terrasse, 91198 Gif-sur-Yvette (France); Ayrault, Sophie, E-mail: Sophie.Ayrault@lsce.ipsl.fr [LSCE/IPSL CEA-CNRS-UVSQ, Avenue de la Terrasse, 91198 Gif-sur-Yvette (France); Tusseau-Vuillemin, Marie-Helene, E-mail: Marie-helene.tusseau@ifremer.fr [IFREMER Technopolis 40, 155 rue Jean-Jacques Rousseau, 92138 Issy-Les-Moulineaux (France)

2011-12-15

This study investigates the ability of the biodynamic model to predict the trophic bioaccumulation of cadmium (Cd), chromium (Cr), copper (Cu), nickel (Ni) and zinc (Zn) in a freshwater bivalve. Zebra mussels were transplanted to three sites along the Seine River (France) and collected monthly for 11 months. Measurements of the metal body burdens in mussels were compared with the predictions from the biodynamic model. The exchangeable fraction of metal particles did not account for the bioavailability of particulate metals, since it did not capture the differences between sites. The assimilation efficiency (AE) parameter is necessary to take into account biotic factors influencing particulate metal bioavailability. The biodynamic model, applied with AEs from the literature, overestimated the measured concentrations in zebra mussels, the extent of overestimation being site-specific. Therefore, an original methodology was proposed for in situ AE measurements for each site and metal. - Highlights: > Exchangeable fraction of metal particles did not account for the bioavailability of particulate metals. > Need for site-specific biodynamic parameters. > Field-determined AE provide a good fit between the biodynamic model predictions and bioaccumulation measurements. - The interpretation of metal bioaccumulation in transplanted zebra mussels with biodynamic modelling highlights the need for site-specific assimilation efficiencies of particulate metals.
Surface plasmon—polaritons on ultrathin metal films

International Nuclear Information System (INIS)

Quan Jun; Zhang Jun; Shao Le-Xi; Tian Ying

2011-01-01

We discuss the surface plasmon—polaritons used for ultrathin metal films with the aid of linear response theory and make comparisons with the known result given by Economou E N. In this paper we consider transverse electromagnetic fields and assume that the electromagnetic field in the linear response formula is the induced field due to the current of the electrons. It satisfies the Maxwell equation and thus we replace the current (charge) term in the Maxwell equation with the linear response expectation value. Finally, taking the external field to be zero, we obtain the dispersion relation of the surface plasmons from the eigenvalue equation. In addition, the charge-density and current-density in the z direction on the surface of ultrathin metal films are also calculated. The results may be helpful to the fundamental understanding of the complex phenomenon of surface plasmon-polaritons. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

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

Science.gov (United States)

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

2018-04-01

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

DEFF Research Database (Denmark)

Rossmeisl, Jan; Logadottir, Ashildur; Nørskov, Jens Kehlet

2005-01-01

Density functional theory calculations are used as the basis for an analysis of the electrochemical process, where by water is split to form molecular oxygen and hydrogen. We develop a method for obtaining the thermochemistry of the electrochemical water splitting process as a function of the bias...... directly from the electronic structure calculations. We consider electrodes of Pt(111) and Au(111) in detail and then discuss trends for a series of different metals. We show that the difficult step in the water splitting process is the formation of superoxy-type (OOH) species on the surface...... by the splitting of a water molecule on top an adsorbed oxygen atom. One conclusion is that this is only possible on metal surfaces that are (partly) oxidized. We show that the binding energies of the different intermediates are linearly correlated for a number of metals. In a simple analysis, where the linear...
Charge state of ions scattered by metal surface

International Nuclear Information System (INIS)

Kishinevsky, L.M.; Parilis, E.S.; Verleger, V.K.

1976-01-01

A model for description of charge distributions for scattering of heavy ions in the keV region, on metal surfaces developing and improving the method of Van der Weg and Bierman, and taking into account the connection between the ion charge state and scattering kinematics, is proposed. It is shown that multiple charged particles come from ions with a vacancy in the inner shell while the outer shell vacancies give only single charged ions and neutrals. The approximately linear increase of degree of ionization with normal velocity, and the non-monotonic charge dependence of the energy spectrum established by Chicherov and Buck et al is explained by considering irreversible neutralization in the depth of the metal, taking into account the connection of the charge state with the shape of trajectory and its location relative to the metal surface. The dependence of charge state on surface structure is discussed. Some new experiments are proposed. (author)
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.
Cooperativity in Surface Bonding and Hydrogen Bonding of Water and Hydroxyl at Metal Surfaces

DEFF Research Database (Denmark)

Schiros, T.; Ogasawara, H.; Naslund, L. A.

2010-01-01

of the mixed phase at metal surfaces. The surface bonding can be considered to be similar to accepting a hydrogen bond, and we can thereby apply general cooperativity rules developed for hydrogen-bonded systems. This provides a simple understanding of why water molecules become more strongly bonded...... to the surface upon hydrogen bonding to OH and why the OH surface bonding is instead weakened through hydrogen bonding to water. We extend the application of this simple model to other observed cooperativity effects for pure water adsorption systems and H3O+ on metal surfaces.......We examine the balance of surface bonding and hydrogen bonding in the mixed OH + H2O overlayer on Pt(111), Cu(111), and Cu(110) via density functional theory calculations. We find that there is a cooperativity effect between surface bonding and hydrogen bonding that underlies the stability...
Study of highly functionalized metal surface treated by plasma ion implantation

International Nuclear Information System (INIS)

Ikeyama, Masami; Miyagawa, Soji; Miyagawa, Yoshiko; Nakao, Setsuo; Masuda, Haruho; Saito, Kazuo; Ono, Taizou; Hayashi, Eiji

2004-01-01

Technology for processing metal surfaces with hardness, low friction and free from foreign substances was developed with plasma ion implantation. Diamond-like carbon (DLC) coating is a most promising method for realization of hard and smooth metal surface. DLC coating was tested in a metal pipe with 10 mm diameter and 10 cm length by a newly developed plasma ion implantation instrument. The surface coated by DLC was proved to have characteristics equivalent to those prepared with other methods. A computer program simulating a formation process of DLC coating was developed. Experiments for fluorinating the DLC coating surface was performed. (Y. Kazumata)
Surface modification by metal ion implantation forming metallic nanoparticles in an insulating matrix

International Nuclear Information System (INIS)

Salvadori, M.C.; Teixeira, F.S.; Sgubin, L.G.; Cattani, M.; Brown, I.G.

2014-01-01

Highlights: • Metal nanoparticles can be produced through metallic ion implantation in insulating substrate, where the implanted metal self-assembles into nanoparticles. • The nanoparticles nucleate near the maximum of the implantation depth profile, that can be estimated by computer simulation using the TRIDYN. • Nanocomposites, obtained by this way, can be produced in different insulator materials. More specifically we have studied Au/PMMA (polymethylmethacrylate), Pt/PMMA, Ti/alumina and Au/alumina systems. • The nanocomposites were characterized by measuring the resistivity of the composite layer as function of the dose implanted, reaching the percolation threshold. • Excellent agreement was found between the experimental results and the predictions of the theory. - Abstract: There is special interest in the incorporation of metallic nanoparticles in a surrounding dielectric matrix for obtaining composites with desirable characteristics such as for surface plasmon resonance, which can be used in photonics and sensing, and controlled surface electrical conductivity. We have investigated nanocomposites produced by metal ion implantation into insulating substrates, where the implanted metal self-assembles into nanoparticles. The nanoparticles nucleate near the maximum of the implantation depth profile (projected range), which can be estimated by computer simulation using the TRIDYN code. TRIDYN is a Monte Carlo simulation program based on the TRIM (Transport and Range of Ions in Matter) code that takes into account compositional changes in the substrate due to two factors: previously implanted dopant atoms, and sputtering of the substrate surface. Our study show that the nanoparticles form a bidimentional array buried a few nanometers below the substrate surface. We have studied Au/PMMA (polymethylmethacrylate), Pt/PMMA, Ti/alumina and Au/alumina systems. Transmission electron microscopy of the implanted samples show that metallic nanoparticles form in
Risks to humans and wildlife from metal contamination in soils/sediments at CERCLA sites

International Nuclear Information System (INIS)

Hitch, J.P.; Hovatter, P.S.; Opresko, D.M.; Sample, B.; Young, R.A.

1994-01-01

A common problem that occurs at DOD and DOE CERCLA sites is metal contamination in soils and aquatic sediments and the protection of humans and wildlife from potential exposure to this contamination. Consequently, the authors have developed a site-specific reference dose for mercury in sediments at the Oak Ridge Reservation and site-specific cleanup levels for certain metals, including arsenic and nickel, in soils at an Army ammunition plant. Another concern during remediation of these sites is that limited data are available to determine the direct risks to indigenous wildlife. Therefore, the authors have developed toxicological benchmarks for certain metals and metal compounds to be used as screening tools to determine the potential hazard of a contaminant to representative mammalian and avian wildlife species. These values should enable the Army and DOE to more accurately determine the risks to humans and wildlife associated with exposure to these contaminated media at their sites in order to achieve a more effective remediation. This effort is ongoing at ORNL with toxicological benchmarks also being developed for metal compounds and other chemicals of concern to DOD and DOE in order to address the potential hazard to
Study on surface wave characteristics of free surface flow of liquid metal lithium for IFMIF

International Nuclear Information System (INIS)

Hoashi, Eiji; Sugiura, Hirokazu; Yoshihashi-Suzuki, Sachiko; Yamaoka, Nobuo; Horiike, Hiroshi; Kanemura, Takuji; Kondo, Hiroo

2011-01-01

The international fusion materials irradiation facility (IFMIF) presents an intense neutron source to develop fusion reactor materials. The free surface flow of a liquid metal Lithium (Li) is planned as a target irradiated by two deuteron beams to generate intense neutrons and it is thus important to obtain knowledge of the surface wave characteristic for the safety and the efficiency of system in the IFMIF. We have been studying on surface wave characteristics experimentally using the liquid metal Li circulation facility at Osaka University and numerically using computational fluid dynamics (CFD) code, FLUENT. This paper reports the results of the surface fluctuation, the wave height and the surface velocity in the free surface flow of the liquid metal Li examined experimentally and numerically. In the experiment, an electro-contact probe apparatus was used to obtain the surface fluctuation and the wave height, and a high speed video was used to measure the surface velocity. We resulted in knowledge of the surface wave growth mechanism. On the other hand, a CFD simulation was also conducted to obtain information on the relation of the free surface with the inner flow. In the simulation, the model included from a two-staged contraction nozzle to a flow channel with a free surface flow region and simulation results were compared with the experimental data. (author)
Decomposition of SnH{sub 4} molecules on metal and metal–oxide surfaces

Energy Technology Data Exchange (ETDEWEB)

Ugur, D. [TNO, Stieltjesweg 1, 2628 CK Delft (Netherlands); Delft University of Technology, Department of Materials Science and Engineering, Mekelweg 2, 2628 CD Delft (Netherlands); Storm, A.J.; Verberk, R. [TNO, Stieltjesweg 1, 2628 CK Delft (Netherlands); Brouwer, J.C. [Delft University of Technology, Department of Materials Science and Engineering, Mekelweg 2, 2628 CD Delft (Netherlands); Sloof, W.G., E-mail: w.g.sloof@tudelft.nl [Delft University of Technology, Department of Materials Science and Engineering, Mekelweg 2, 2628 CD Delft (Netherlands)

2014-01-01

Atomic hydrogen cleaning is a promising method for EUV lithography systems, to recover from surface oxidation and to remove carbon and tin contaminants. Earlier studies showed, however, that tin may redeposit on nearby surfaces due to SnH{sub 4} decomposition. This phenomenon of SnH{sub 4} decomposition during tin cleaning has been quantified for various metallic and metal-oxide surfaces using X-ray photoelectron spectroscopy (XPS). It was observed that the metal oxide surfaces (TiO{sub 2} and ZrO{sub 2}) were significantly less contaminated than metallic surfaces. Tin contamination due to SnH{sub 4} decomposition can thus be reduced or even mitigated by application of a suitable metal-oxide coating.
USDA soil classification system dictates site surface management

International Nuclear Information System (INIS)

Bowmer, W.J.

1985-01-01

Success or failure of site surface management practices greatly affects long-term site stability. The US Department of Agriculture (USDA) soil classification system best documents those parameters which control the success of installed practices for managing both erosion and surface drainage. The USDA system concentrates on soil characteristics in the upper three meters of the surface that support the associated flora both physically and physiologically. The USDA soil survey first identifies soil series based on detailed characteristics that are related to production potential. Using the production potential, land use capability classes are developed. Capability classes reveal the highest and best agronomic use for the site. Lower number classes are considered arable while higher number classes are best suited for grazing agriculture. Application of ecological principles based on the USDA soil survey reveals the current state of the site relative to its ecological potential. To assure success, site management practices must be chosen that are compatible with both production capability and current state of the site
Basis of the detection, assessment and cleaning up of sites contaminated with heavy metals

International Nuclear Information System (INIS)

Calmano, W.; Foerstner, U.

1993-01-01

The cleaning up of sites contaminated with heavy metals is still in its infancy. Depending on the type and extent of the contamination, new methods of treatment must be developed and matched to each situation. A survey is given of the groundwater contamination of soil heavy metals; the binding, availability and mobilisation of heavy metals; geo-chemical concepts for sites contaminated by heavy metals; judging the potential danger; safety measures; cleaning up processes and the reinstatement and renaturing of the soil. (orig.) [de
Calculated surface-energy anomaly in the 3d metals

DEFF Research Database (Denmark)

Aldén, M.; Skriver, Hans Lomholt; Mirbt, S.

1992-01-01

Local-spin-density theory and a Green’s-function technique based on the linear muffin-tin orbitals method have been used to calculate the surface energy of the 3d metals. The theory explains the variation of the values derived from measurements of the surface tension of liquid metals including...... the pronounced anomaly occurring between vanadium and nickel in terms of a decrease in the d contribution caused by spin polarization....
The law of corresponding states and surface tension of metals

International Nuclear Information System (INIS)

Digilov, R.

2001-01-01

Full Text: Surface tension of liquid metals is one of fundamental and most important quantities in theory and practice of material processing and its temperature dependence leads to the well-known Marangoni convection. Although currently methods are sufficiently precise to measure the surface tension, there are uncertainties in experimental data and its temperature dependence mainly due to impurity, which even a trace of it strongly affects the results of measurements. The theoretical treatment from the first principles is unwieldy and not always permits one to calculate the surface tension with certainty. Another active research field deals with empirical correlation between the surface tension and bulk thermodynamic properties, which we interpret as a simple consequence of the law of corresponding states. In order to relate the surface tension and to bulk properties of liquid metals the reduced formula is derived by scaling with the melting point T m (0) at p = 0 and atomic volume Ω 0 2/3 at T = 0 K as macroscopic parameters for scaling ε and a characterizing the interatomic potential in metals. The reduced surface tension and the reduced surface entropy obtained in high temperature limit are discussed and compared with the experiment. The reduced temperature coefficient of the surface tension found is a universal constant for the metals of the same structure. It is shown that pressure dependence of the surface tension, so called baric coefficient of the surface tension, can be described by pressure dependence of scaling parameters T m (p) and Ω 0 (p). (author)
Structure and Dynamics of Zr6O8 Metal-Organic Framework Node Surfaces Probed with Ethanol Dehydration as a Catalytic Test Reaction.

Science.gov (United States)

Yang, Dong; Ortuño, Manuel A; Bernales, Varinia; Cramer, Christopher J; Gagliardi, Laura; Gates, Bruce C

2018-03-14

Some metal-organic frameworks (MOFs) incorporate nodes that are metal oxide clusters such as Zr 6 O 8 . Vacancies on the node surfaces, accidental or by design, act as catalytic sites. Here, we report elucidation of the chemistry of Zr 6 O 8 nodes in the MOFs UiO-66 and UiO-67 having used infrared and nuclear magnetic resonance spectroscopies to determine the ligands on the node surfaces originating from the solvents and modifiers used in the syntheses and having elucidated the catalytic properties of the nodes for ethanol dehydration, which takes place selectively to make diethyl ether but not ethylene at 473-523 K. Density functional theory calculations show that the key to the selective catalysis is the breaking of node-linker bonds (or the accidental adjacency of open/defect sites) that allows catalytically fruitful bonding of the reactant ethanol to neighboring sites on the nodes, facilitating the bimolecular ether formation through an S N 2 mechanism.
Surface effects in metallic iron nanoparticles

DEFF Research Database (Denmark)

Bødker, Franz; Mørup, Steen; Linderoth, Søren

1994-01-01

Nanoparticles of metallic iron on carbon supports have been studied in situ by use of Mossbauer spectroscopy. The magnetic anisotropy energy constant increases with decreasing particle size, presumably because of the influence of surface anisotropy. Chemisorption of oxygen results in formation...
Urbanization increased metal levels in lake surface sediment and catchment topsoil of waterscape parks

Energy Technology Data Exchange (ETDEWEB)

Li, Hong-Bo [Key Laboratory of Urban Environment and Health, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen 361021 (China); Graduate University of Chinese Academy of Sciences, Beijing 100049 (China); Yu, Shen, E-mail: syu@iue.ac.cn [Key Laboratory of Urban Environment and Health, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen 361021 (China); Li, Gui-Lin [Key Laboratory of Urban Environment and Health, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen 361021 (China); Liu, Yi; Yu, Guang-Bin [Key Laboratory of Urban Environment and Health, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen 361021 (China); Graduate University of Chinese Academy of Sciences, Beijing 100049 (China); Deng, Hong [Department of Environmental Sciences, Tiantong National Station of Forest Ecosystem, Key Laboratory of Urbanization and Ecological Restoration, East China Normal University, Shanghai 200062 (China); Wu, Sheng-Chun [State Key Laboratory in Marine Pollution, Biology and Chemistry Department, City University of Hong Kong, Hong Kong (China); Wong, Ming-Hung [Croucher Institute for Environmental Sciences, Hong Kong Baptist University, Hong Kong (China)

2012-08-15

Lake surface sediment is mainly derived from topsoil in its catchment. We hypothesized that distribution of anthropogenic metals would be homogenous in lake surface sediment and the lake's catchment topsoil. Anthropogenic metal distributions (cadmium (Cd), copper (Cu), lead (Pb), and zinc (Zn)) in fourteen waterscape parks were investigated in surface sediments and catchment topsoils and possible source homogeneity was tested using stable Pb isotopic ratio analysis. The parks were located along an urbanization gradient consisting of suburban (SU), developing urban (DIU), developed urban (DDU), and central urban core (CUC) areas in Shanghai, China. Results indicated that surface lake sediments and catchment topsoils in the CUC parks were highly contaminated by the investigated anthropogenic metals. Total metal contents in surface sediment and topsoil gradually increased along the urbanization gradient from the SU to CUC areas. Generally, the surface sediments had greater total metal contents than their catchment topsoils. These results suggest that urbanization drives the anthropogenic metal enrichment in both surface sediment and its catchment topsoil in the waterscape parks. Soil fine particles (< 63 {mu}m) and surface sediments had similar enrichment ratios of metals, suggesting that surface runoff might act as a carrier for metals transporting from catchment to lake. Stable Pb isotope ratio analysis revealed that the major anthropogenic Pb source in surface sediment was coal combustion as in the catchment topsoil. Urbanization also correlated with chemical fractionation of metals in both surface sediment and catchment topsoil. From the SU to the CUC parks, amounts of labile metal fractions increased while the residual fraction of those metals remained rather constant. In short, urbanization in Shanghai drives anthropogenic metal distribution in environmental matrices and the sources were homogenous. -- Highlights: Black-Right-Pointing-Pointer Obvious
Urbanization increased metal levels in lake surface sediment and catchment topsoil of waterscape parks

International Nuclear Information System (INIS)

Li, Hong-Bo; Yu, Shen; Li, Gui-Lin; Liu, Yi; Yu, Guang-Bin; Deng, Hong; Wu, Sheng-Chun; Wong, Ming-Hung

2012-01-01

Lake surface sediment is mainly derived from topsoil in its catchment. We hypothesized that distribution of anthropogenic metals would be homogenous in lake surface sediment and the lake's catchment topsoil. Anthropogenic metal distributions (cadmium (Cd), copper (Cu), lead (Pb), and zinc (Zn)) in fourteen waterscape parks were investigated in surface sediments and catchment topsoils and possible source homogeneity was tested using stable Pb isotopic ratio analysis. The parks were located along an urbanization gradient consisting of suburban (SU), developing urban (DIU), developed urban (DDU), and central urban core (CUC) areas in Shanghai, China. Results indicated that surface lake sediments and catchment topsoils in the CUC parks were highly contaminated by the investigated anthropogenic metals. Total metal contents in surface sediment and topsoil gradually increased along the urbanization gradient from the SU to CUC areas. Generally, the surface sediments had greater total metal contents than their catchment topsoils. These results suggest that urbanization drives the anthropogenic metal enrichment in both surface sediment and its catchment topsoil in the waterscape parks. Soil fine particles (< 63 μm) and surface sediments had similar enrichment ratios of metals, suggesting that surface runoff might act as a carrier for metals transporting from catchment to lake. Stable Pb isotope ratio analysis revealed that the major anthropogenic Pb source in surface sediment was coal combustion as in the catchment topsoil. Urbanization also correlated with chemical fractionation of metals in both surface sediment and catchment topsoil. From the SU to the CUC parks, amounts of labile metal fractions increased while the residual fraction of those metals remained rather constant. In short, urbanization in Shanghai drives anthropogenic metal distribution in environmental matrices and the sources were homogenous. -- Highlights: ► Obvious urbanization effect on metal
Influence of metallic surface states on electron affinity of epitaxial AlN films

Energy Technology Data Exchange (ETDEWEB)

Mishra, Monu; Krishna, Shibin; Aggarwal, Neha [Advanced Materials and Devices Division, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-NPL Campus, Dr. K.S. Krishnan Marg, New Delhi 110012 (India); Gupta, Govind, E-mail: govind@nplindia.org [Advanced Materials and Devices Division, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-NPL Campus, Dr. K.S. Krishnan Marg, New Delhi 110012 (India)

2017-06-15

The present article investigates surface metallic states induced alteration in the electron affinity of epitaxial AlN films. AlN films grown by plasma-assisted molecular beam epitaxy system with (30% and 16%) and without metallic aluminium on the surface were probed via photoemission spectroscopic measurements. An in-depth analysis exploring the influence of metallic aluminium and native oxide on the electronic structure of the films is performed. It was observed that the metallic states pinned the Fermi Level (FL) near valence band edge and lead to the reduction of electron affinity (EA). These metallic states initiated charge transfer and induced changes in surface and interface dipoles strength. Therefore, the EA of the films varied between 0.6–1.0 eV due to the variation in contribution of metallic states and native oxide. However, the surface barrier height (SBH) increased (4.2–3.5 eV) adversely due to the availability of donor-like surface states in metallic aluminium rich films.
Heavy metals in surface sediments of the Jialu River, China: their relations to environmental factors.

Science.gov (United States)

Fu, Jie; Zhao, Changpo; Luo, Yupeng; Liu, Chunsheng; Kyzas, George Z; Luo, Yin; Zhao, Dongye; An, Shuqing; Zhu, Hailiang

2014-04-15

This work investigated heavy metal pollution in surface sediments of the Jialu River, China. Sediment samples were collected at 19 sites along the river in connection with field surveys and the total concentrations were determined using atomic fluorescence spectrometer and inductively coupled plasma optical emission spectrometer. Sediment samples with higher metal concentrations were collected from the upper reach of the river, while sediments in the middle and lower reaches had relatively lower metal concentrations. Multivariate techniques including Pearson correlation, hierarchical cluster and principal components analysis were used to evaluate the metal sources. The ecological risk associated with the heavy metals in sediments was rated as moderate based on the assessments using methods of consensus-based Sediment Quality Guidelines, Potential Ecological Risk Index and Geo-accumulation Index. The relations between heavy metals and various environmental factors (i.e., chemical properties of sediments, water quality indices and aquatic organism indices) were also studied. Nitrate nitrogen, total nitrogen, and total polycyclic aromatic hydrocarbons concentrations in sediments showed a co-release behavior with heavy metals. Ammonia nitrogen, total nitrogen, orthophosphate, total phosphate and permanganate index in water were found to be related to metal sedimentation. Heavy metals in sediments posed a potential impact on the benthos community. Copyright © 2014 Elsevier B.V. All rights reserved.

Surface modification of nanodiamond through metal free atom transfer radical polymerization

Energy Technology Data Exchange (ETDEWEB)

Zeng, Guangjian; Liu, Meiying; Shi, Kexin; Heng, Chunning; Mao, Liucheng; Wan, Qing; Huang, Hongye [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Deng, Fengjie, E-mail: fengjiedeng@aliyun.com [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Zhang, Xiaoyong, E-mail: xiaoyongzhang1980@gmail.com [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Wei, Yen, E-mail: weiyen@tsinghua.edu.cn [Department of Chemistry and the Tsinghua Center for Frontier Polymer Research, Tsinghua University, Beijing, 100084 (China)

2016-12-30

Highlights: • Surface modification of ND with water soluble and biocompatible polymers. • Functionalized ND through metal free surface initiated ATRP. • The metal free surface initiated ATRP is rather simple and effective. • The ND-poly(MPC) showed high dispersibility and desirable biocompatibility. - Abstract: Surface modification of nanodiamond (ND) with poly(2-methacryloyloxyethyl phosphorylcholine) [poly(MPC)] has been achieved by using metal free surface initiated atom transfer radical polymerization (SI-ATRP). The ATRP initiator was first immobilized on the surface of ND through direct esterification reaction between hydroxyl group of ND and 2-bromoisobutyryl bromide. The initiator could be employed to obtain ND-poly(MPC) nanocomposites through SI-ATRP using an organic catalyst. The final functional materials were characterized by {sup 1}H nuclear magnetic resonance, transmission electron microscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy and thermo gravimetric analysis in detailed. All of these characterization results demonstrated that ND-poly(MPC) have been successfully obtained via metal free photo-initiated SI-ATRP. The ND-poly(MPC) nanocomposites shown enhanced dispersibility in various solvents as well as excellent biocompatibility. As compared with traditional ATRP, the metal free ATRP is rather simple and effective. More importantly, this preparation method avoided the negative influence of metal catalysts. Therefore, the method described in this work should be a promising strategy for fabrication of polymeric nanocomposites with great potential for different applications especially in biomedical fields.
Surface modification of nanodiamond through metal free atom transfer radical polymerization

International Nuclear Information System (INIS)

Zeng, Guangjian; Liu, Meiying; Shi, Kexin; Heng, Chunning; Mao, Liucheng; Wan, Qing; Huang, Hongye; Deng, Fengjie; Zhang, Xiaoyong; Wei, Yen

2016-01-01

Highlights: • Surface modification of ND with water soluble and biocompatible polymers. • Functionalized ND through metal free surface initiated ATRP. • The metal free surface initiated ATRP is rather simple and effective. • The ND-poly(MPC) showed high dispersibility and desirable biocompatibility. - Abstract: Surface modification of nanodiamond (ND) with poly(2-methacryloyloxyethyl phosphorylcholine) [poly(MPC)] has been achieved by using metal free surface initiated atom transfer radical polymerization (SI-ATRP). The ATRP initiator was first immobilized on the surface of ND through direct esterification reaction between hydroxyl group of ND and 2-bromoisobutyryl bromide. The initiator could be employed to obtain ND-poly(MPC) nanocomposites through SI-ATRP using an organic catalyst. The final functional materials were characterized by 1 H nuclear magnetic resonance, transmission electron microscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy and thermo gravimetric analysis in detailed. All of these characterization results demonstrated that ND-poly(MPC) have been successfully obtained via metal free photo-initiated SI-ATRP. The ND-poly(MPC) nanocomposites shown enhanced dispersibility in various solvents as well as excellent biocompatibility. As compared with traditional ATRP, the metal free ATRP is rather simple and effective. More importantly, this preparation method avoided the negative influence of metal catalysts. Therefore, the method described in this work should be a promising strategy for fabrication of polymeric nanocomposites with great potential for different applications especially in biomedical fields.
Determination of heavy metal pollution in soils from selected potentially contaminated sites in Tema

International Nuclear Information System (INIS)

Nyaaba, A.K.L.

2011-01-01

The objective of the study was to assess the concentration and determine the level of pollution by harmful heavy metals in soils from selected potentially contaminated sites in Tema. The metals of interest include; mercury, lead, cadmium, cobalt zinc, arsenic, nickel, copper and chromium. A total of forty seven (47) samples comprising thirty eight sub-samples (38) and nine (9) composite samples were collected from nine (9) different locations. These included playgrounds, steel processing factories, used Lead Acid Battery (ULAB) recycling plant, mechanic workshops and the municipal waste disposal site. The samples were prepared after which the elemental concentrations were determined using energy dispersive X-ray fluorescence (EDXRF) with a secondary target excitation arrangement (5.9 keV). The analysis of the samples yielded the following mean heavy metal concentrations in mg/kg: 424.38 (Cr); 408.68 (Ni); 14427 (Cu); 4129.87 (Zn); 1580.68 (As); 647.48 (Hg); 73361.51 (Pb) and 1176.16 (Co). The mean concentrations of heavy metals in the soils were in the following order Pb>Zn>As>Co>Cu>Hg>Cr>Ni. Mercury was detected at only two of the sites. The average heavy metals in the soils from the sites were generally high since most of them exceeded the optimum and action values of the New Dutch List. The Enrichment Factor (EF) ratios show that the enrichment of the elements in the soils ranged from deficiently to extremely highly enriched. The contamination factor show that the contamination by the heavy metals were low at some of the sites and very high at others. The geoaccumulation indices indicated that the playground (PG) has not been contaminated by any of the metals, C8 is contaminated strongly by mercury only and the contamination at the remaining sites varied from moderately contaminated to extremely contaminated by the metals. The Igeo also indicated that the elements accounting for extreme contamination are lead, arsenic, copper, zinc mercury and chromium. Lead
COATING OF POLYMERIC SUBSTRATE CATALYSTS ON METALLIC SURFACES

Directory of Open Access Journals (Sweden)

H. HOSSEINI

2010-12-01

Full Text Available This article presents results of a study on coating of a polymeric substrate ca-talyst on metallic surface. Stability of coating on metallic surfaces is a proper specification. Sol-gel technology was used to synthesize adhesion promoters of polysilane compounds that act as a mediator. The intermediate layer was coated by synthesized sulfonated polystyrene-divinylbenzene as a catalyst for production of MTBE in catalytic distillation process. Swelling of catalyst and its separation from the metal surface was improved by i increasing the quantity of divinylbenzene in the resin’s production process and ii applying adhesion pro¬moters based on the sol-gel process. The rate of ethyl silicate hydrolysis was intensified by increasing the concentration of utilized acid while the conden¬sation polymerization was enhanced in the presence of OH–. Sol was formed at pH 2, while the pH should be 8 for the formation of gel. By setting the ratio of the initial concentrations of water to ethyl silicate to 8, the gel formation time was minimized.
Understanding the biological responses of nanostructured metals and surfaces

Science.gov (United States)

Lowe, Terry C.; Reiss, Rebecca A.

2014-08-01

Metals produced by Severe Plastic Deformation (SPD) offer distinct advantages for medical applications such as orthopedic devices, in part because of their nanostructured surfaces. We examine the current theoretical foundations and state of knowledge for nanostructured biomaterials surface optimization within the contexts that apply to bulk nanostructured metals, differentiating how their microstructures impact osteogenesis, in particular, for Ultrafine Grained (UFG) titanium. Then we identify key gaps in the research to date, pointing out areas which merit additional focus within the scientific community. For example, we highlight the potential of next-generation DNA sequencing techniques (NGS) to reveal gene and non-coding RNA (ncRNA) expression changes induced by nanostructured metals. While our understanding of bio-nano interactions is in its infancy, nanostructured metals are already being marketed or developed for medical devices such as dental implants, spinal devices, and coronary stents. Our ability to characterize and optimize the biological response of cells to SPD metals will have synergistic effects on advances in materials, biological, and medical science.
Understanding the biological responses of nanostructured metals and surfaces

International Nuclear Information System (INIS)

Lowe, Terry C; A Reiss, Rebecca

2014-01-01

Metals produced by Severe Plastic Deformation (SPD) offer distinct advantages for medical applications such as orthopedic devices, in part because of their nanostructured surfaces. We examine the current theoretical foundations and state of knowledge for nanostructured biomaterials surface optimization within the contexts that apply to bulk nanostructured metals, differentiating how their microstructures impact osteogenesis, in particular, for Ultrafine Grained (UFG) titanium. Then we identify key gaps in the research to date, pointing out areas which merit additional focus within the scientific community. For example, we highlight the potential of next-generation DNA sequencing techniques (NGS) to reveal gene and non-coding RNA (ncRNA) expression changes induced by nanostructured metals. While our understanding of bio-nano interactions is in its infancy, nanostructured metals are already being marketed or developed for medical devices such as dental implants, spinal devices, and coronary stents. Our ability to characterize and optimize the biological response of cells to SPD metals will have synergistic effects on advances in materials, biological, and medical science
''In-situ'' spectro-electrochemical studies of radionuclide-contaminated surface films on metals

International Nuclear Information System (INIS)

Melendres, C.A.; Mini, S.; Mansour, A.N.

2000-01-01

The incorporation of heavy metal ions and radioactive contaminants into hydrous oxide films has been investigated in order to provide fundamental knowledge that could lead to the technological development of cost-effective processes and techniques for the decontamination of storage tanks, piping systems, surfaces, etc., in DOE nuclear facilities. The formation of oxide/hydroxide films was simulated by electrodeposition onto a graphite substrate from solutions of the appropriate metal salt. Synchrotron X-ray Absorption Spectroscopy (XAS), supplemented by Laser Raman Spectroscopy (LRS), was used to determine the structure and composition of the host oxide film, as well as the impurity ion. Results have been obtained for the incorporation of Ce, Sr, Cr, Fe, and U into hydrous nickel oxide films. Ce and Sr oxides/hydroxides are co-precipitated with the nickel oxides in separate phase domains. Cr and Fe, on the other hand, are able to substitute into Ni lattice sites or intercalate in the interlamellar positions of the brucite structure of Ni(OH) 2 . U was found to co-deposit as a U(VI) hydroxide. The mode of incorporation of metal ions depends both on the size and charge of the metal ion. The structure of iron oxide (hydroxide) films prepared by both anodic and cathodic deposition has also been extensively studied. The structure of Fe(OH) 2 was determined to be similar to that of α-Ni(OH) 2 . Anodic deposition from solutions containing Fe 2+ results in a film with a structure similar to γ-FeOOH. From the knowledge gained from the present studies, principles and methods for decontamination have become apparent. Contaminants sorbed on oxide surfaces or co-precipitated may be removed by acid wash and selective dissolution or complexation. Ions incorporated into lattice sites and interlamellar layers will require more drastic cleaning procedures. Electropolishing and the use of an electrochemical brush are among concepts that should be considered seriously for the latter
Time-dependent image potential at a metal surface

International Nuclear Information System (INIS)

Alducin, M.; Diez Muino, R.; Juaristi, J.I.

2003-01-01

Transient effects in the image potential induced by a point charge suddenly created in front of a metal surface are studied. The time evolution of the image potential is calculated using linear response theory. Two different time scales are defined: (i) the time required for the creation of the image potential and (ii) the time it takes to converge to its stationary value. Their dependence on the distance of the charge to the surface is discussed. The effect of the electron gas damping is also analyzed. For a typical metallic density, the order of magnitude of the creation time is 0.1 fs, whereas for a charge created close to the surface the convergence time is around 1-2 fs
Surface structure determinations of crystalline ionic thin films grown on transition metal single crystal surfaces by low energy electron diffraction

Energy Technology Data Exchange (ETDEWEB)

Roberts, Joel Glenn [Univ. of California, Berkeley, CA (United States)

2000-05-01

The surface structures of NaCl(100), LiF(100) and alpha-MgCl2(0001) adsorbed on various metal single crystals have been determined by low energy electron diffraction (LEED). Thin films of these salts were grown on metal substrates by exposing the heated metal surface to a molecular flux of salt emitted from a Knudsen cell. This method of investigating thin films of insulators (ionic salts) on a conducting substrate (metal) circumvents surface charging problems that plagued bulk studies, thereby allowing the use of electron-based techniques to characterize the surface.
The Impact of Road Maintenance Substances on Metals Surface Corrosion

Directory of Open Access Journals (Sweden)

Jolita Petkuvienė

2011-04-01

Full Text Available The purpose of research is to assess changes in the visual metal surface due to the exposure of road maintenance salts and molasses (‘Safecote’. Chlorides of deicing salts (NaCl, CaCl2 are the main agents affecting soil and water resources as well as causing the corrosion of roadside metallic elements. Molasses (‘Safecote’ is offered as an alternative to deice road pavement by minimizing the corrosion of metal elements near the road. A laboratory experiment was carried out to immerse and spray metals with NaCl, CaCl2, NaCl:CaCl2 and NaCl:Safecote solutions. The obtained results showed that NaCl:Safecote solution had the lowest coating with corrosion products (the average 17±4 % of the surface. The solutions of NaCl, CaCl2 and NaCl:CaCl2 had the highest percentage rate of the corrosion product on the metal surface reaching an average of 33±5 %. Article in English
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
Data Validation Package, December 2015, Groundwater and Surface Water Sampling at the Monument Valley, Arizona, Processing Site March 2016

Energy Technology Data Exchange (ETDEWEB)

Tyrrell, Evan [Navarro Research and Engineering, Inc., Oak Ridge, NV (United States); Denny, Angelita [USDOE Office of Legacy Management, Washington, DC (United States)

2016-03-23

Fifty-two groundwater samples and one surface water sample were collected at the Monument Valley, Arizona, Processing Site to monitor groundwater contaminants for evaluating the effectiveness of the proposed compliance strategy as specified in the 1999 Final Site Observational Work Plan for the UMTRA Project Site at Monument Valley, Arizona. Sampling and analyses were conducted as specified in the Sampling and Analysis Plan for U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated, http://energy.gov/lm/downloads/sampling-and-analysis-plan-us-department- energy-office-legacy-management-sites). Samples were collected for metals, anions, nitrate + nitrite as N, and ammonia as N analyses at all locations.
Plasmonic reflectance anisotropy spectroscopy of metal nanoparticles on a semiconductor surface

Science.gov (United States)

Kosobukin, V. A.; Korotchenkov, A. V.

2016-12-01

A theory of plasmonic differential anisotropic reflection of light from nanoparticles located near the interface between media is developed. The model of a monolayer consisting of identical ellipsoidal metal particles occupying sites of a rectangular lattice is investigated. Effective plasmonic polarizabilities of nanoparticles in the layer are calculated self-consistently using the Green's function technique in the quasipoint dipole approximation. The local-field effect caused by anisotropic dipole plasmons of particles in the layer and their image dipoles is taken into account. The lately observed resonant reflectance anisotropy spectra of indium nanoclusters on InAs surface are explained by the difference between frequencies of plasmons with the orthogonal polarizations in the surface plane. The difference between the plasmon frequencies is attributed to anisotropy of the particles shape or/and the layer structure; the signs of frequency difference for the two types of anisotropy being different.
Electronic structure at metal-smiconductor surfaces and interfaces: effects of disorder

International Nuclear Information System (INIS)

Rodrigues, D.E.

1988-01-01

The main concern of this work is the study of the electronic structure at metal and semiconductor surfaces or interfaces, with special emphasis in the effects of disorder and local microstructure upon them. Various factors which determine this structure are presented and those of central importance are identified. A model that allows the efficient and exact calculation of the local density of states at disordered interfaces is described. This model is based on a tight-binding hamiltonian that has enough flexibility so as to allow an adequate description of real solids. The disorder is taken into account by including stochastic perturbations in the diagonal elements of the hamiltonian in a site orbital basis. These perturbations are taken at each layer from a lorentzian probability distribution. An exact expression for the calculation of the local density of states is derived and applied to a model surface built up from a type orbitals arranged in a simple cubic lattice. The effects of disorder on the local densities of states and on the existence of surface Tamm states are studied. The properties of the electronic states with this kind of model of disorder are considered. The self-consistent calculation of the electronic structure of the Si(111) - (1x1) surface is presented. The effects of disorder on the electronic properties such as the work function or the position of surface states within the gap are evaluated. The surface of the metallic compound NiSi 2 is also treated. The first self-consistent calculation of the electronic structure of its (111) surface is presented. The electronic structure of the Si/NiSi 2 (111) interfaces is calculated for the two types of junctions that can be grown experimentally. The origin of the difference between the Schottky barrier heights at both interfaces is discussed. The results are compared with available experimental data. The implications of this calculation on existing theories about the microscopic mechanism that causes
Improvements in or relating to surface treatment of metals

International Nuclear Information System (INIS)

Dearnaley, G.; Hartley, N.E.W.

1975-01-01

A method is described for surface treating metals so as to reduce their coefficients of friction. The metal is subjected to bombardment by a beam of ions of dry lubricant material, or material that forms a dry lubricant. The ions should have energies sufficient to cause them to be implanted into the surface region of the metal. The metal may be heated to facilitate assimilation of the ions, and implantation may be enhanced by means of irradiation of the article with radiation of energy sufficient to enhance diffusion of the ions into the article. The dry lubricant ions may comprise Mo + , In + , or Sn + . Where the article is of steel suitable ions are Mo + and S + deposited in the ratio of 1:2. Examples of application of the method are given, using a 500 Kv Cockcroft-Walton accelerator for the implantation. (U.K.)
Evaluation and assessment of baseline metal contamination in surface sediments from the Bernam River, Malaysia.

Science.gov (United States)

Kadhum, Safaa A; Ishak, Mohd Yusoff; Zulkifli, Syaizwan Zahmir

2016-04-01

The Bernam River is one of the most important rivers in Malaysia in that it provides water for industries and agriculture located along its banks. The present study was conducted to assess the level of contamination of heavy metals (Cd, Ni, Cr, Sn, and Fe) in surface sediments in the Bernam River. Nine surface sediment samples were collected from the lower, middle, and upper courses of the river. The results indicated that the concentrations of the metals decreased in the order of Sn > Cr > Ni > Fe > Cd (56.35, 14.90, 5.3, 4.6, and 0.62 μg/g(1) dry weight). Bernam River sediments have moderate to severe enrichment for Sn, moderate for Cd, and no enrichment for Cr, Ni, and Fe. The contamination factor (CF) results demonstrated that Cd and Sn are responsible for the high contamination. The pollution load index (PLI), for all the sampling sites, suggests that the sampling stations were generally unpolluted with the exception of the Bagan Tepi Sungai, Sabak Bernam, and Tanjom Malim stations. Multivariate techniques including Pearson's correlation and hierarchical cluster analysis were used to apportion the various sources of the metals. The results suggested that the sediment samples collected from the upper course of the river had lower metal concentrations, while sediments in the middle and lower courses of the river had higher metal concentrations. Therefore, our results can be useful as a baseline data for government bodies to adopt corrective measure on the issues related to heavy metal pollution in the Bernam River in the future.
Electron-phonon coupling at metal surfaces

International Nuclear Information System (INIS)

Hellsing, B.; Eiguren, A.; Chulkov, E.V.

2002-01-01

Chemical reactions at metal surfaces are influenced by inherent dissipative processes which involve energy transfer between the conduction electrons and the nuclear motion. We shall discuss how it is possible to model this electron-phonon coupling in order to estimate its importance. A relevant quantity for this investigation is the lifetime of surface-localized electron states. A surface state, quantum well state or surface image state is located in a surface-projected bandgap and becomes relatively sharp in energy. This makes a comparison between calculations and experimental data most attractive, with a possibility of resolving the origin of the lifetime broadening of electron states. To achieve more than an order of magnitude estimate we point out the importance of taking into account the phonon spectrum, electron surface state wavefunctions and screening of the electron-ion potential. (author)
Speciation dynamics of metals in dispersion of nanoparticles with discrete distribution of charged binding sites.

Science.gov (United States)

Polyakov, Pavel D; Duval, Jérôme F L

2014-02-07

We report a comprehensive theory to evaluate the kinetics of complex formation between metal ions and charged spherical nanoparticles. The latter consist of an ion-impermeable core surrounded by a soft shell layer characterized by a discrete axisymmetric 2D distribution of charged sites that bind metal ions. The theory explicitly integrates the conductive diffusion of metal ions from bulk solution toward the respective locations of the reactive sites within the particle shell volume. The kinetic constant k for outer-sphere nanoparticle-metal association is obtained from the sum of the contributions stemming from all reactive sites, each evaluated from the corresponding incoming flux of metal ions derived from steady-state Poisson-Nernst-Planck equations. Illustrations are provided to capture the basic intertwined impacts of particle size, overall particle charge, spatial heterogeneity in site distribution, type of particle (hard, core-shell or porous) and concentration of the background electrolyte on k. As a limit, k converges with predictions from previously reported analytical expressions derived for porous particles with low and high charge density, cases that correspond to coulombic and mean-field (smeared-out) electrostatic treatments, respectively. The conditions underlying the applicability of these latter approaches are rigorously identified in terms of (i) the extent of overlap between electric double layers around charged neighbouring sites, and (ii) the magnitude of the intraparticulate metal concentration gradient. For the first time, the proposed theory integrates the differentiated impact of the local potential around the charged binding sites amidst the overall particle field, together with that of the so-far discarded intraparticulate flux of metal ions.
Characterization of natural adsorbent material for heavy metal removal in a petrochemical site contamination

Directory of Open Access Journals (Sweden)

Bianchi F.

2013-04-01

Full Text Available Despite of over 25 years of intensive technological efforts, sub-surface environment cleanup still remains a challenge, especially in case of highly contaminated sites. In this context, ion exchanger technologies could provide simple and effective solutions for heavy metal removal in water treatment. The challenge is finding exchanger able to operate in extreme natural environments or in situations involving natural interfering species such as inorganic ions. In this paper we exam the use of natural zeolites as versatile exchanger for environmental protection of coastal refinery's groundwater against pollution of Ni, Cd, Pb. The influence of particle diameter on clinoptilolite performances toward heavy metal removal is studied. Also, we evaluate the exchanger activities in condition of high ionic strength, commonly present in groundwater located under coastal petrol industries. The obtained results confirmed that ion exchangers could provide an effective solutions for remediation in complex environmental conditions.
Acidity of edge surface sites of montmorillonite and kaolinite

Science.gov (United States)

Liu, Xiandong; Lu, Xiancai; Sprik, Michiel; Cheng, Jun; Meijer, Evert Jan; Wang, Rucheng

2013-09-01

Acid-base chemistry of clay minerals is central to their interfacial properties, but up to now a quantitative understanding on the surface acidity is still lacking. In this study, with first principles molecular dynamics (FPMD) based vertical energy gap technique, we calculate the acidity constants of surface groups on (0 1 0)-type edges of montmorillonite and kaolinite, which are representatives of 2:1 and 1:1-type clay minerals, respectively. It shows that tbnd Si-OH and tbnd Al-OH2OH groups of kaolinite have pKas of 6.9 and 5.7 and those of montmorillonite have pKas of 7.0 and 8.3, respectively. For each mineral, the calculated pKas are consistent with the experimental ranges derived from fittings of titration curves, indicating that tbnd Si-OH and tbnd Al-OH2OH groups are the major acidic sites responsible to pH-dependent experimental observations. The effect of Mg substitution in montmorillonite is investigated and it is found that Mg substitution increases the pKas of the neighboring tbnd Si-OH and tbnd Si-OH2 groups by 2-3 pKa units. Furthermore, our calculation shows that the pKa of edge tbnd Mg-(OH2)2 is as high as 13.2, indicating the protonated state dominates under common pH. Together with previous adsorption experiments, our derived acidity constants suggest that tbnd Si-O- and tbnd Al-(OH)2 groups are the most probable edge sites for complexing heavy metal cations.

Sulfur-Hz(CHx)y(z = 0,1) functionalized metal oxide nanostructure decorated interfaces: Evidence of Lewis base and Brönsted acid sites – Influence on chemical sensing

International Nuclear Information System (INIS)

Laminack, William; Baker, Caitlin; Gole, James

2015-01-01

Nanostructure metal oxide decorated n-type extrinsic porous silicon (PS) semiconductor interfaces are modified through in-situ interaction with acidic ethane and butane thiols (EtSH, BuSH) and basic diethyl sulfide (Et 2 S). Highly sensitive conductometric sensor evaluations and X-ray Photoelectron Spectroscopy demonstrate the effect of sulfur group functionalization modifying the acidity of the metal oxides and their interaction with NH 3 . SEM micrographs demonstrate that the sulfur treated particles are less than 30 nm in size. EDAX studies confirm the chemical composition of the modified nanoparticles and suggest the surface interaction of the sulfides and thiols. The acidic thiols can form Brönsted acidic sites enhancing the acidity of the metal oxides, thus broadening the initial metal oxide acidity range. The sulfides interact to lower the Lewis acidity of nanostructured metal oxide sites. Conductometric response matrices with NH 3 at room temperature, corresponding to the thiol and sulfide treated nanostructures of the metal oxides TiO 2 , SnO x , Ni x O, Cu x O, and Au x O (x >> 1) are evaluated for a dominant electron transduction process forming the basis for reversible chemical sensing in the absence of chemical bond formation. Treatment with the acidic thiols enhances the metal center acidity. It is suggested that the thiols can interact to increase the Brönsted acidity of the doped metal oxide surface if they maintain SH bonds. This process may account for the shift in Lewis acidity as the Brönsted acid sites counter the decrease in Lewis acidity resulting from the interaction of S-(CH x ) y groups. In contrast, treatment with basic Et 2 S decreases the Lewis acidity of the metal oxide sites, enhancing the basicity of the decorated interface. XPS measurements indicate a change in binding energy (BE) of the metal and oxygen centers. The observed changes in conductometric response do not represent a simple increase in surface acidity or basicity but
Metal accumulation and performance of nestlings of passerine bird species at an urban brownfield site

Energy Technology Data Exchange (ETDEWEB)

Hofer, Charles; Gallagher, Frank J. [Department of Ecology, Evolution and Natural Resources, Rutgers, the State University of New Jersey, 14 College Farm Rd., New Brunswick, NJ 08901-8551 (United States); Holzapfel, Claus, E-mail: holzapfe@andromeda.rutgers.ed [Department of Biological Sciences, Rutgers, the State University of New Jersey, Newark, 195 University Ave., Newark, NJ 07102-1811 (United States)

2010-05-15

The use of passerine species as bioindicators of metal bioaccumulation is often underutilized when examining the wildlife habitat value of polluted sites. In this study we tested feathers of nestlings of two common bird species (house wren and American robin) for accumulation of Pb, Zn, As, Cr, Cu, Fe in comparison of a polluted, urban brownfield with a rural, unpolluted site. House wren nestlings at the study site accumulated significantly greater concentrations of all target metals except Zn. At the polluted site we found significant species differences of metal concentrations in feathers, with house wrens accumulating greater concentrations of Pb, Fe, and Zn but slightly lesser accumulations of Cr and Cu than American robins. Although house wren nestlings demonstrated significant accumulation of metals, these concentrations showed little effect on size metrics or fledge rates during the breeding season compared to nestlings from the control site. - Nestlings of birds in an urban brownfield accumulated soil contaminants but did not show signs of reduced breeding success or growth.
Metal accumulation and performance of nestlings of passerine bird species at an urban brownfield site

International Nuclear Information System (INIS)

Hofer, Charles; Gallagher, Frank J.; Holzapfel, Claus

2010-01-01

The use of passerine species as bioindicators of metal bioaccumulation is often underutilized when examining the wildlife habitat value of polluted sites. In this study we tested feathers of nestlings of two common bird species (house wren and American robin) for accumulation of Pb, Zn, As, Cr, Cu, Fe in comparison of a polluted, urban brownfield with a rural, unpolluted site. House wren nestlings at the study site accumulated significantly greater concentrations of all target metals except Zn. At the polluted site we found significant species differences of metal concentrations in feathers, with house wrens accumulating greater concentrations of Pb, Fe, and Zn but slightly lesser accumulations of Cr and Cu than American robins. Although house wren nestlings demonstrated significant accumulation of metals, these concentrations showed little effect on size metrics or fledge rates during the breeding season compared to nestlings from the control site. - Nestlings of birds in an urban brownfield accumulated soil contaminants but did not show signs of reduced breeding success or growth.
Recommended values of clean metal surface work functions

International Nuclear Information System (INIS)

Derry, Gregory N.; Kern, Megan E.; Worth, Eli H.

2015-01-01

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

Energy Technology Data Exchange (ETDEWEB)

Derry, Gregory N., E-mail: gderry@loyola.edu; Kern, Megan E.; Worth, Eli H. [Department of Physics, Loyola University Maryland, 4501 N. Charles St., Baltimore, Maryland 21210 (United States)

2015-11-15

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

International Nuclear Information System (INIS)

Baker, M.A.

1980-01-01

In an investigation of the plasma cleaning of metals and the plasma etching of carbon, a mass spectrometer was used as a sensitive process monitor. CO 2 produced by the plasma oxidation of carbon films or of organic contamination and occluded carbon at the surfaces of metals proved to be the most suitable gas to monitor. A good correlation was obtained between the measured etch rate of carbon and the resulting CO 2 partial pressure monitored continuously with the mass spectrometer. The rate of etching of carbon in an oxygen-argon plasma at 0.1 Torr was high when the carbon was at cathode potential and low when it was electrically isolated in the plasma, thus confirming the findings of previous workers and indicating the importance of ion bombardment in the etching process. Superficial organic contamination on the surfaces of the metals aluminium and copper and of the alloy Inconel 625 was quickly removed by the oxygen-argon plasma when the metal was electrically isolated and also when it was at cathode potential. Occluded carbon (or carbides) at or near the surfaces of the metals was removed slowly and only when the metal was at cathode potential, thus illustrating again the importance of ion bombardment. (Auth.)
Determining site-specific background level with geostatistics for remediation of heavy metals in neighborhood soils

Directory of Open Access Journals (Sweden)

Tammy M. Milillo

2017-03-01

Full Text Available The choice of a relevant, uncontaminated site for the determination of site-specific background concentrations for pollutants is critical for planning remediation of a contaminated site. The guidelines used to arrive at concentration levels vary from state to state, complicating this process. The residential neighborhood of Hickory Woods in Buffalo, NY is an area where heavy metal concentrations and spatial distributions were measured to plan remediation. A novel geostatistics based decision making framework that relies on maps generated from indicator kriging (IK and indicator co-kriging (ICK of samples from the contaminated site itself is shown to be a viable alternative to the traditional method of choosing a reference site for remediation planning. GIS based IK and ICK, and map based analysis are performed on lead and arsenic surface and subsurface datasets to determine site-specific background concentration levels were determined to be 50 μg/g for lead and 10 μg/g for arsenic. With these results, a remediation plan was proposed which identified regions of interest and maps were created to effectively communicate the results to the environmental agencies, residents and other interested parties.
Self-excitation of Rydberg atoms at a metal surface

DEFF Research Database (Denmark)

Bordo, Vladimir

2017-01-01

The novel effect of self-excitation of an atomic beam propagating above a metal surface is predicted and a theory is developed. Its underlying mechanism is positive feedback provided by the reflective surface for the atomic polarization. Under certain conditions the atomic beam flying in the near...... field of the metal surface acts as an active device that supports sustained atomic dipole oscillations, which generate, in their turn, an electromagnetic field. This phenomenon does not exploit stimulated emission and therefore does not require population inversion in atoms. An experiment with Rydberg...... atoms in which this effect should be most pronounced is proposed and the necessary estimates are given....
Catalysis on singly dispersed bimetallic sites

Science.gov (United States)

Zhang, Shiran; Nguyen, Luan; Liang, Jin-Xia; Shan, Junjun; Liu, Jingyue; Frenkel, Anatoly I.; Patlolla, Anitha; Huang, Weixin; Li, Jun; Tao, Franklin

2015-08-01

A catalytic site typically consists of one or more atoms of a catalyst surface that arrange into a configuration offering a specific electronic structure for adsorbing or dissociating reactant molecules. The catalytic activity of adjacent bimetallic sites of metallic nanoparticles has been studied previously. An isolated bimetallic site supported on a non-metallic surface could exhibit a distinctly different catalytic performance owing to the cationic state of the singly dispersed bimetallic site and the minimized choices of binding configurations of a reactant molecule compared with continuously packed bimetallic sites. Here we report that isolated Rh1Co3 bimetallic sites exhibit a distinctly different catalytic performance in reduction of nitric oxide with carbon monoxide at low temperature, resulting from strong adsorption of two nitric oxide molecules and a nitrous oxide intermediate on Rh1Co3 sites and following a low-barrier pathway dissociation to dinitrogen and an oxygen atom. This observation suggests a method to develop catalysts with high selectivity.
Facile preparation of superhydrophobic surfaces based on metal oxide nanoparticles

Science.gov (United States)

Bao, Xue-Mei; Cui, Jin-Feng; Sun, Han-Xue; Liang, Wei-Dong; Zhu, Zhao-Qi; An, Jin; Yang, Bao-Ping; La, Pei-Qing; Li, An

2014-06-01

A novel method for fabrication of superhydrophobic surfaces was developed by facile coating various metal oxide nanoparticles, including ZnO, Al2O3 and Fe3O4, on various substrates followed by treatment with polydimethylsiloxane (PDMS) via chemical vapor deposition (CVD) method. Using ZnO nanoparticles as a model, the changes in the surface chemical composition and crystalline structures of the metal oxide nanoparticles by PDMS treatment were investigated by X-ray photoelectron spectroscopy (XPS), X-ray powder diffraction (XRD) and Fourier transform infrared (FTIR) analysis. The results show that the combination of the improved surface roughness generated from of the nanoparticles aggregation with the low surface-energy of silicon-coating originated from the thermal pyrolysis of PDMS would be responsible for the surface superhydrophobicity. By a simple dip-coating method, we show that the metal oxide nanoparticles can be easily coated onto the surfaces of various textural and dimensional substrates, including glass slide, paper, fabric or sponge, for preparation of superhydrophobic surfaces for different purpose. The present strategy may provide an inexpensive and new route to surperhydrophobic surfaces, which would be of technological significance for various practical applications especially for separation of oils or organic contaminates from water.
Facile preparation of superhydrophobic surfaces based on metal oxide nanoparticles

International Nuclear Information System (INIS)

Bao, Xue-Mei; Cui, Jin-Feng; Sun, Han-Xue; Liang, Wei-Dong; Zhu, Zhao-Qi; An, Jin; Yang, Bao-Ping; La, Pei-Qing; Li, An

2014-01-01

A novel method for fabrication of superhydrophobic surfaces was developed by facile coating various metal oxide nanoparticles, including ZnO, Al 2 O 3 and Fe 3 O 4 , on various substrates followed by treatment with polydimethylsiloxane (PDMS) via chemical vapor deposition (CVD) method. Using ZnO nanoparticles as a model, the changes in the surface chemical composition and crystalline structures of the metal oxide nanoparticles by PDMS treatment were investigated by X-ray photoelectron spectroscopy (XPS), X-ray powder diffraction (XRD) and Fourier transform infrared (FTIR) analysis. The results show that the combination of the improved surface roughness generated from of the nanoparticles aggregation with the low surface-energy of silicon-coating originated from the thermal pyrolysis of PDMS would be responsible for the surface superhydrophobicity. By a simple dip-coating method, we show that the metal oxide nanoparticles can be easily coated onto the surfaces of various textural and dimensional substrates, including glass slide, paper, fabric or sponge, for preparation of superhydrophobic surfaces for different purpose. The present strategy may provide an inexpensive and new route to surperhydrophobic surfaces, which would be of technological significance for various practical applications especially for separation of oils or organic contaminates from water.
Facile preparation of superhydrophobic surfaces based on metal oxide nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Bao, Xue-Mei; Cui, Jin-Feng; Sun, Han-Xue; Liang, Wei-Dong; Zhu, Zhao-Qi; An, Jin; Yang, Bao-Ping; La, Pei-Qing; Li, An, E-mail: lian2010@lut.cn

2014-06-01

A novel method for fabrication of superhydrophobic surfaces was developed by facile coating various metal oxide nanoparticles, including ZnO, Al{sub 2}O{sub 3} and Fe{sub 3}O{sub 4}, on various substrates followed by treatment with polydimethylsiloxane (PDMS) via chemical vapor deposition (CVD) method. Using ZnO nanoparticles as a model, the changes in the surface chemical composition and crystalline structures of the metal oxide nanoparticles by PDMS treatment were investigated by X-ray photoelectron spectroscopy (XPS), X-ray powder diffraction (XRD) and Fourier transform infrared (FTIR) analysis. The results show that the combination of the improved surface roughness generated from of the nanoparticles aggregation with the low surface-energy of silicon-coating originated from the thermal pyrolysis of PDMS would be responsible for the surface superhydrophobicity. By a simple dip-coating method, we show that the metal oxide nanoparticles can be easily coated onto the surfaces of various textural and dimensional substrates, including glass slide, paper, fabric or sponge, for preparation of superhydrophobic surfaces for different purpose. The present strategy may provide an inexpensive and new route to surperhydrophobic surfaces, which would be of technological significance for various practical applications especially for separation of oils or organic contaminates from water.
Reactivity of a reduced metal oxide surface: hydrogen, water and carbon monoxide adsorption on oxygen defective rutile TiO 2( 1 1 0 )

Science.gov (United States)

Menetrey, M.; Markovits, A.; Minot, C.

2003-02-01

The reactivity at reduced surface differs from that on the stoichiometric perfect surfaces. This does not originate uniquely from the modification of the coordination; electron count also is determining. The general trend is a decrease of the heat of adsorption on the metal cations. The reactivity decreases at sites in the vicinity of the defects due to the reduction induced by the O vacancies. At the defect site the decrease is less pronounced for H, H 2, CO and molecular H 2O. In the case of H 2O dissociative adsorption, the defect site is more reactive than the perfect surface. Thus, a hydration converting the defective-reduced TiO 2 to the hydrogenated non-defective-reduced surface is easy. The resulting structure possesses surface hydroxyl groups. It is probably the easiest way to form the hydrogenated non-defective surface. On TiO 2, the defective surface requires very anhydrous conditions.
Electronic properties of adsorbates and clean surfaces of metals and semiconductors

International Nuclear Information System (INIS)

Lecante, J.

1980-01-01

This paper surveys recent progress in experimental studies on electronic properties of adsorbates and clean metal surfaces. Electron spectroscopy and particularly angle resolved photoelectron spectroscopy appears to be a very powerful tool to get informations on electronic levels of adsorbates or clean surfaces. Moreover this technique may also give informations about the atomic geometry of the surface. Experimental investigation about surface plasmons, surface states, core level shifts are presented for clean surfaces. As examples of adsorbate covered surfaces two typical cases are chosen: two dimensional band structure and oriented molecules. Finally the photoelectron diffraction may be used for surface structure determination either in the case of an adsorbate or a clean metal surface [fr
Process of treating surfaces of metals

International Nuclear Information System (INIS)

Kimura, T.; Murao, A.; Kuwahara, T.

1975-01-01

Both higher corrosion resistance and paint adherence are given to films formed on the surfaces of metals by treating the surfaces with aqueous solutions of one or more materials selected from the group consisting of water soluble vinyl monomer or water soluble high polymer and then irradiating with ionizing radioactive rays on the nearly dried surface film. When a water soluble inorganic compound is mixed with the above mentioned aqueous solution, the film properties are greatly improved. The inorganic ionic material should contain a cation from the group consisting of Ca, Mg, Zn, Cr, Al, Fe, and Ni. Electron beams may be used. (U.S.)
Theory of the reaction dynamics of small molecules on metal surfaces

Energy Technology Data Exchange (ETDEWEB)

Jackson, Bret [Univ. of Massachusetts, Amherst, MA (United States)

2016-09-09

The objective of this project has been to develop realistic theoretical models for gas-surface interactions, with a focus on processes important in heterogeneous catalysis. The dissociative chemisorption of a molecule on a metal is a key step in many catalyzed reactions, and is often the rate-limiting step. We have explored the dissociative chemisorption of H₂, H₂O and CH₄ on a variety of metal surfaces. Most recently, our extensive studies of methane dissociation on Ni and Pt surfaces have fully elucidated its dependence on translational energy, vibrational state and surface temperature, providing the first accurate comparisons with experimental data. We have explored Eley-Rideal and hot atom reactions of H atoms with H- and C-covered metal surfaces. H atom interactions with graphite have also been explored, including both sticking and Eley-Rideal recombination processes. Again, our methods made it possible to explain several experiments studying these reactions. The sticking of atoms on metal surfaces has also been studied. To help elucidate the experiments that study these processes, we examine how the reaction dynamics depend upon the nature of the molecule-metal interaction, as well as experimental variables such as substrate temperature, beam energy, angle of impact, and the internal states of the molecules. Electronic structure methods based on Density Functional Theory are used to compute each molecule-metal potential energy surface. Both time-dependent quantum scattering techniques and quasi-classical methods are used to examine the reaction or scattering dynamics. Much of our effort has been directed towards developing improved quantum methods that can accurately describe reactions, as well as include the effects of substrate temperature (lattice vibration).
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.
Slurry erosion induced surface nanocrystallization of bulk metallic glass

Science.gov (United States)

Ji, Xiulin; Wu, Jili; Pi, Jinghong; Cheng, Jiangbo; Shan, Yiping; Zhang, Yingtao

2018-05-01

Microstructure evolution and phase transformation of metallic glasses (MGs) could occur under heating condition or mechanical deformation. The cross-section of as-cast Zr55Cu30Ni5Al10 MG rod was impacted by the solid particles when subjected to erosion in slurry flow. The surface microstructure was observed by XRD before and after slurry erosion. And the stress-driven de-vitrification increases with the increase of erosion time. A microstructure evolution layer with 1-2 μm thickness was formed on the topmost eroded surface. And a short range atomic ordering prevails in the microstructure evolution layer with crystalline size around 2-3 nm embedded in the amorphous matrix. The XPS analysis reveals that most of the metal elements in the MG surface, except for Cu, were oxidized. And a composite layer with ZrO2 and Al2O3 phases were formed in the topmost surface after slurry erosion. The cooling rate during solidification of MG has a strong influence on the slurry erosion induced nanocrystallization. And a lower cooling rate favors the surface nanocrystallization because of lower activation energy and thermo-stability. Finally, the slurry erosion induced surface nanocrystallization and microstructure evolution result in surface hardening and strengthening. Moreover, the microstructure evolution mechanisms were discussed and it is related to the cooling rate of solidification and the impact-induced temperature rise, as well as the combined effects of the impact-induced plastic flow, inter-diffusion and oxidation of the metal elements.
Distribution and Risk Assessment of Heavy Metals in Surface Water from Pristine Environments and Major Mining Areas in Ghana

Directory of Open Access Journals (Sweden)

George Yaw Hadzi

2015-01-01

Conclusions. The concentrations of heavy metals in the Nyam, Subri, Bonsa and Birim Rivers from the mining sites and the Atiwa Range, Oda, Ankasa and Bosomkese Rivers from the pristine sites were found to be either below or within the USEPA and WHO's recommended limits for surface water. The health risk assessment values for the hazard quotient for ingestion of water (HQing, dermal contact (HQderm and chronic daily intake (CDI indicated no adverse effects as a result of ingestion or dermal contact from the rivers. However, arsenic (As in both the pristine and mining sites and chromium (Cr in the pristine sites pose a carcinogenic threat to the local residents.
Application of Volta potential mapping to determine metal surface defects

International Nuclear Information System (INIS)

Nazarov, A.; Thierry, D.

2007-01-01

As a rule, stress or fatigue cracks originate from various surface imperfections, such as pits, inclusions or locations showing a residual stress. It would be very helpful for material selection to be able to predict the likelihood of environment-assisted cracking or pitting corrosion. By using Scanning Kelvin Probe (the vibrating capacitor with a spatial resolution of 80 μm) the profiling of metal electron work function (Volta potential) in air is applied to the metal surfaces showing residual stress, MnS inclusions and wearing. The Volta potential is influenced by the energy of electrons at the Fermi level and drops generally across the metal/oxide/air interfaces. Inclusions (e.g. MnS) impair continuity of the passive film that locally decreases Volta potential. The stress applied gives rise to dislocations, microcracks and vacancies in the metal and the surface oxide. The defects decrease Volta and corrosion potentials; reduce the overvoltage for processes of passivity breakdown and anodic metal dissolution. These 'anodic' defects can be visualized in potential mapping that can help us to predict locations with higher risk of pitting corrosion or cracking

Surface plasmons based terahertz modulator consisting of silicon-air-metal-dielectric-metal layers

Science.gov (United States)

Wang, Wei; Yang, Dongxiao; Qian, Zhenhai

2018-05-01

An optically controlled modulator of the terahertz wave, which is composed of a metal-dielectric-metal structure etched with circular loop arrays on both the metal layers and a photoexcited silicon wafer separated by an air layer, is proposed. Simulation results based on experimentally measured complex permittivities predict that modification of complex permittivity of the silicon wafer through excitation laser leads to a significant tuning of transmission characteristics of the modulator, forming the modulation depths of 59.62% and 96.64% based on localized surface plasmon peak and propagating surface plasmon peak, respectively. The influences of the complex permittivity of the silicon wafer and the thicknesses of both the air layer and the silicon wafer are numerically studied for better understanding the modulation mechanism. This study proposes a feasible methodology to design an optically controlled terahertz modulator with large modulation depth, high speed and suitable insertion loss, which is useful for terahertz applications in the future.
Chapter 19: Catalysis by Metal Carbides and Nitrides

Energy Technology Data Exchange (ETDEWEB)

Schaidle, Joshua A [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Nash, Connor P [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Yung, Matthew M [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Chen, Yuan [Pacific Northwest National Laboratory; Carl, Sarah [University of Michigan; Thompson, Levi [University of Michigan

2017-08-09

Early transition metal carbides and nitrides (ETMCNs), materials in which carbon or nitrogen occupies interstitial sites within a parent metal lattice, possess unique physical and chemical properties that motivate their use as catalysts. Specifically, these materials possess multiple types of catalytic sites, including metallic, acidic, and basic sites, and as such, exhibit reactivities that differ from their parent metals. Moreover, their surfaces are dynamic under reaction conditions. This chapter reviews recent (since 2010) experimental and computational investigations into the catalytic properties of ETMCN materials for applications including biomass conversion, syngas and CO2 upgrading, petroleum and natural gas refining, and electrocatalytic energy conversion, energy storage, and chemicals production, and attempts to link catalyst performance to active site identity/surface structure in order to elucidate the present level of understanding of structure-function relationships for these materials. The chapter concludes with a perspective on leveraging the unique properties of these materials to design and develop improved catalysts through a dedicated, multidisciplinary effort.
Crystal structure of Yersinia pestis virulence factor YfeA reveals two polyspecific metal-binding sites

Energy Technology Data Exchange (ETDEWEB)

Radka, Christopher D.; DeLucas, Lawrence J.; Wilson, Landon S.; Lawrenz, Matthew B.; Perry, Robert D.; Aller, Stephen G.

2017-06-30

Gram-negative bacteria use siderophores, outer membrane receptors, inner membrane transporters and substrate-binding proteins (SBPs) to transport transition metals through the periplasm. The SBPs share a similar protein fold that has undergone significant structural evolution to communicate with a variety of differentially regulated transporters in the cell. InYersinia pestis, the causative agent of plague, YfeA (YPO2439, y1897), an SBP, is important for full virulence during mammalian infection. To better understand the role of YfeA in infection, crystal structures were determined under several environmental conditions with respect to transition-metal levels. Energy-dispersive X-ray spectroscopy and anomalous X-ray scattering data show that YfeA is polyspecific and can alter its substrate specificity. In minimal-media experiments, YfeA crystals grown after iron supplementation showed a threefold increase in iron fluorescence emission over the iron fluorescence emission from YfeA crystals grown from nutrient-rich conditions, and YfeA crystals grown after manganese supplementation during overexpression showed a fivefold increase in manganese fluorescence emission over the manganese fluorescence emission from YfeA crystals grown from nutrient-rich conditions. In all experiments, the YfeA crystals produced the strongest fluorescence emission from zinc and could not be manipulated otherwise. Additionally, this report documents the discovery of a novel surface metal-binding site that prefers to chelate zinc but can also bind manganese. Flexibility across YfeA crystal forms in three loops and a helix near the buried metal-binding site suggest that a structural rearrangement is required for metal loading and unloading.
Friction and surface chemistry of some ferrous-base metallic glasses

Science.gov (United States)

Miyoshi, K.; Buckley, D. H.

1982-01-01

The friction properties of some ferrous-base metallic glasses were measured both in argon and in vacuum to a temperature of 350 C. The alloy surfaces were also analyzed with X-ray photoelectron spectroscopy to identify the compounds and elements present on the surface. The results of the investigation indicate that even when the surfaces of the amorphous alloys, or metallic glasses, are atomically clean, bulk contaminants such as boric oxide and silicon dioxide diffuse to the surfaces. Friction measurements in both argon and vacuum indicate that the alloys exhibit higher coefficients of friction in the crystalline state than they do in the amorphous state.
Study of structure and surface morphology of two-layer contact Ti/Al metallization

Directory of Open Access Journals (Sweden)

Kirill D. Vanyukhin

2016-06-01

Full Text Available Ti/Al/Ni/Au metallization widely used in the technology of GaN base devices have a very important imperfection i.e. rough surface. There are different opinions about the causes of this imperfection: balling-up of molten aluminum or the appearance of intermetallic melt phases in the Au–Al system. To check the effect of the former cause, we have studied the formation of rough surface after annealing of Ti/Al metallization which is used as a basis of many metallization systems for GaN. The substrates were made from silicon wafers covered with Si3N4 films (0.15 μm. On these substrates we deposited the Ti(12 nm/Al(135 nm metallization system. After the deposition the substrates were annealed in nitrogen for 30 s at 850 °С. The as-annealed specimens were tested for metallization sheet resistivity, appearance and surface morphology. We have shown that during annealing of the Ti/Al metallization system, mutual diffusion of the metals and their active interaction with the formation of intermetallic phases occur. This makes the metallization system more resistant to subsequent annealing, oxidation and chemical etching. After annealing the surface of the Ti/Al metallization system becomes gently matted. However, large hemispherical convex areas (as in the Ti/Al/Ni/Au metallization system do not form. Thus, the hypothesis on the balling-up of molten aluminum on the surface of the Ti/Al metallization system has not been confirmed.
Assessment of potentially toxic metal contamination in the soils of a legacy mine site in Central Victoria, Australia.

Science.gov (United States)

Abraham, Joji; Dowling, Kim; Florentine, Singarayer

2018-02-01

The environmental impact of toxic metal contamination from legacy mining activities, many of which had operated and were closed prior to the enforcement of robust environmental legislation, is of growing concern to modern society. We have carried out analysis of As and potentially toxic metals (Cd, Co, Cr, Cu, Hg, Mn, Ni, Pb, and Zn) in the surface soil of a legacy gold mining site in Maldon, Victoria, Australia, to reveal the status of the current metal concentration. The results revealed the median concentrations of metals from highest to lowest, in the order: Mn > Zn > As > Cr > Cu > Pb > Ni > Co > Hg > Cd. The status of site was assessed directly by comparing the metal concentrations in the study area with known Australian and Victorian average top soil levels and the health investigation levels set by the National Environmental Protection Measures (NEPM) and the Department of Environment and Conservation (DEC) of the State of Western Australia. Although, median concentrations of As, Hg, Pb, Cu and Zn exceeded the average Australian and Victorian top soil concentrations, only As and Hg exceeded the ecological investigation levels (EIL) set by DEC and thus these metals are considered as risk to the human and aquatic ecosystems health due to their increase in concentration and toxicity. In an environment of climate fluctuation with increased storm events and forest fires may mobilize these toxic metals contaminants, pose a real threat to the environment and the community. Copyright © 2017 Elsevier Ltd. All rights reserved.
Surface modes at metallic an photonic crystal interfaces

Energy Technology Data Exchange (ETDEWEB)

Dai, Weitao [Iowa State Univ., Ames, IA (United States)

2009-01-01

A surface mode is an electromagnetic field distribution bounded at a surface. It decays exponentially with the distance from the surface on both sides of the surface and propagates at the surface. The surface mode exists at a metal-dielectric interface as surface plasmon (1) or at a photonic crystal surface terminated properly (34; 35; 36). Besides its prominent near-filed properties, it can connect structures at its propagation surface and results in far-field effects. Extraordinary transmission (EOT) and beaming are two examples and they are the subjects I am studying in this thesis. EOT means the transmission through holes in an opaque screen can be much larger than the geometrical optics limitation. Based on our everyday experience about shadows, the transmission equals the filling ratio of the holes in geometrical optics. The conventional diffraction theory also proved that the transmission through a subwavelength circular hole in an infinitely thin perfect electric conductor (PEC) film converges to zero when the hole's dimension is much smaller than the wavelength (40). Recently it is discovered that the transmission can be much larger than the the filling ratio of the holes at some special wavelengths (41). This cannot be explained by conventional theories, so it is called extraordinary transmission. It is generally believed that surface plasmons play an important role (43; 44) in the EOT through a periodic subwavelength hole array in a metallic film. The common theories in literatures are based on these arguments. The surface plasmons cannot be excited by incident plane waves directly because of momentum mismatch. The periodicity of the hole arrays will provide addition momentum. When the momentum-matching condition of surface plasmons is satisfied, the surface plasmons will be excited. Then these surface plasmons will collect the energy along the input surface and carry them to the holes. So the transmission can be bigger than the filling ratio. Based
Repository surface design site layout analysis

International Nuclear Information System (INIS)

Montalvo, H.R.

1998-01-01

The purpose of this analysis is to establish the arrangement of the Yucca Mountain Repository surface facilities and features near the North Portal. The analysis updates and expands the North Portal area site layout concept presented in the ACD, including changes to reflect the resizing of the Waste Handling Building (WHB), Waste Treatment Building (WTB), Carrier Preparation Building (CPB), and site parking areas; the addition of the Carrier Washdown Buildings (CWBs); the elimination of the Cask Maintenance Facility (CMF); and the development of a concept for site grading and flood control. The analysis also establishes the layout of the surface features (e.g., roads and utilities) that connect all the repository surface areas (North Portal Operations Area, South Portal Development Operations Area, Emplacement Shaft Surface Operations Area, and Development Shaft Surface Operations Area) and locates an area for a potential lag storage facility. Details of South Portal and shaft layouts will be covered in separate design analyses. The objective of this analysis is to provide a suitable level of design for the Viability Assessment (VA). The analysis was revised to incorporate additional material developed since the issuance of Revision 01. This material includes safeguards and security input, utility system input (size and location of fire water tanks and pump houses, potable water and sanitary sewage rates, size of wastewater evaporation pond, size and location of the utility building, size of the bulk fuel storage tank, and size and location of other exterior process equipment), main electrical substation information, redundancy of water supply and storage for the fire support system, and additional information on the storm water retention pond
Optical transparency of graphene layers grown on metal surfaces

International Nuclear Information System (INIS)

Rut’kov, E. V.; Lavrovskaya, N. P.; Sheshenya, E. S.; Gall, N. R.

2017-01-01

It is shown that, in contradiction with the fundamental results obtained for free graphene, graphene films grown on the Rh(111) surface to thicknesses from one to ~(12–15) single layers do not absorb visible electromagnetic radiation emitted from the surface and influence neither the brightness nor true temperature of the sample. At larger thicknesses, such absorption occurs. This effect is observed for the surfaces of other metals, specifically, Pt(111), Re(1010), and Ni(111) and, thus, can be considered as being universal. It is thought that the effect is due to changes in the electronic properties of thin graphene layers because of electron transfer between graphene and the metal substrate.
Optical transparency of graphene layers grown on metal surfaces

Energy Technology Data Exchange (ETDEWEB)

Rut’kov, E. V. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Lavrovskaya, N. P. [State University of Aerospace Instrumentation (Russian Federation); Sheshenya, E. S., E-mail: sheshenayket@gmail.ru; Gall, N. R. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation)

2017-04-15

It is shown that, in contradiction with the fundamental results obtained for free graphene, graphene films grown on the Rh(111) surface to thicknesses from one to ~(12–15) single layers do not absorb visible electromagnetic radiation emitted from the surface and influence neither the brightness nor true temperature of the sample. At larger thicknesses, such absorption occurs. This effect is observed for the surfaces of other metals, specifically, Pt(111), Re(1010), and Ni(111) and, thus, can be considered as being universal. It is thought that the effect is due to changes in the electronic properties of thin graphene layers because of electron transfer between graphene and the metal substrate.
Surface passivation of high purity granular metals: zinc, cadmium, lead

Directory of Open Access Journals (Sweden)

Pirozhenko L. A.

2017-10-01

Full Text Available For the high purity metals (99.9999%, such as zinc, cadmium, and lead, which are widely used as initial components in growing semiconductor and scintillation crystals (CdTe, CdZnTe, ZnSe, (Cd, Zn, Pb WO4, (Cd, Zn, Pb MoO4 et al., it is very important to ensure reliable protection of the surface from oxidation and adsorption of impurities from the atmosphere. The specific features of surface passivation of high purity cadmium, lead and zinc are not sufficiently studied and require specific methodologies for further studies. The use of organic solutions in the schemes of chemical passivation of the investigated metals avoids hydrolysis of the obtained protective films. The use of organic solvents with pure cation and anion composition as the washing liquid prevents chemisorption of ions present in the conventionally used distilled water. This keeps the original purity of the granular metals. Novel compositions of etchants and etching scheme providing simultaneous polishing and passivation of high purity granular Zn, Cd and Pb are developed. Chemical passivation allows storing metals in the normal atmospheric conditions for more than half a year for Zn and Cd and up to 30 days for Pb without changing the state of the surface. The use of the glycerol-DMF solution in the processes for obtaining Pb granules provides self-passivation of metal surfaces and eliminates the additional chemical processing while maintaining the quality of corrosion protection.
Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption

Science.gov (United States)

Dorenkamp, Yvonne; Jiang, Hongyan; Köckert, Hansjochen; Hertl, Nils; Kammler, Marvin; Janke, Svenja M.; Kandratsenka, Alexander; Wodtke, Alec M.; Bünermann, Oliver

2018-01-01

Inelastic scattering of H and D atoms from the (111) surfaces of six fcc transition metals (Au, Pt, Ag, Pd, Cu, and Ni) was investigated, and in each case, excitation of electron-hole pairs dominates the inelasticity. The results are very similar for all six metals. Differences in the average kinetic energy losses between metals can mainly be attributed to different efficiencies in the coupling to phonons due to the different masses of the metal atoms. The experimental observations can be reproduced by molecular dynamics simulations based on full-dimensional potential energy surfaces and including electronic excitations by using electronic friction in the local density friction approximation. The determining factors for the energy loss are the electron density at the surface, which is similar for all six metals, and the mass ratio between the impinging atoms and the surface atoms. Details of the electronic structure of the metal do not play a significant role. The experimentally validated simulations are used to explore sticking over a wide range of incidence conditions. We find that the sticking probability increases for H and D collisions near normal incidence—consistent with a previously reported penetration-resurfacing mechanism. The sticking probability for H or D on any of these metals may be represented as a simple function of the incidence energy, Ein, metal atom mass, M, and incidence angle, 𝜗i n. S =(S0+a ṡEi n+b ṡM ) *(1 -h (𝜗i n-c ) (1 -cos(𝜗 i n-c ) d ṡh (Ei n-e ) (Ei n-e ) ) ) , where h is the Heaviside step function and for H, S0 = 1.081, a = -0.125 eV-1, b =-8.40 ṡ1 0-4 u-1, c = 28.88°, d = 1.166 eV-1, and e = 0.442 eV; whereas for D, S0 = 1.120, a = -0.124 eV-1, b =-1.20 ṡ1 0-3 u-1, c = 28.62°, d = 1.196 eV-1, and e = 0.474 eV.
Removing roughness on metal surface by irradiation of intense short-pulsed ion beams

International Nuclear Information System (INIS)

Hashimoto, Y.

1995-01-01

Surface modification of metals with an intense pulsed ion beam (IPIB) was studied experimentally. When the temperature rise of metal surfaces by IPIB irradiation exceeds their boiling point, it is found that machining roughness on surfaces is removed. The experiments were performed with the pulsed power generator HARIMA-II at Himeji Institute of Technology. The main components of the ion beam were carbon and fluorine ions. The IPIB was irradiated to metal plates (Al, Cu and Ti) which were placed at the focal point. Machining roughness on Ti surface was removed after IPIB irradiation, while roughness on Al and Cu plates was not removed. Using the present experimental parameters (beam power density: 32 W/cm 2 , pulse width: 25 ns), the temperature rise of the Ti surface was estimated to be 8,100 K which exceed its boiling point (3,000 K). However, the estimated temperatures of Al and Cu surfaces was 2,500 and 1,500 K, respectively, that are less than their boiling points. These studies above suggests that temperature rise over the boiling point of metals is necessary for removing machining roughness on metal surfaces
Root Fungal Endophytes Enhance Heavy-Metal Stress Tolerance of Clethra barbinervis Growing Naturally at Mining Sites via Growth Enhancement, Promotion of Nutrient Uptake and Decrease of Heavy-Metal Concentration.

Directory of Open Access Journals (Sweden)

Keiko Yamaji

Full Text Available Clethra barbinervis Sieb. et Zucc. is a tree species that grows naturally at several mine sites and seems to be tolerant of high concentrations of heavy metals, such as Cu, Zn, and Pb. The purpose of this study is to clarify the mechanism(s underlying this species' ability to tolerate the sites' severe heavy-metal pollution by considering C. barbinervis interaction with root fungal endophytes. We measured the heavy metal concentrations of root-zone soil, leaves, branches, and fine roots collected from mature C. barbinervis at Hitachi mine. We isolated fungal endophytes from surface-sterilized root segments, and we examined the growth, and heavy metal and nutrient absorption of C. barbinervis seedlings growing in sterilized mine soil with or without root fungal endophytes. Field analyses showed that C. barbinervis contained considerably high amounts of Cu, Zn, and Pb in fine roots and Zn in leaves. The fungi, Phialocephala fortinii, Rhizodermea veluwensis, and Rhizoscyphus sp. were frequently isolated as dominant fungal endophyte species. Inoculation of these root fungal endophytes to C. barbinervis seedlings growing in sterilized mine soil indicated that these fungi significantly enhanced the growth of C. barbinervis seedlings, increased K uptake in shoots and reduced the concentrations of Cu, Ni, Zn, Cd, and Pb in roots. Without root fungal endophytes, C. barbinervis could hardly grow under the heavy-metal contaminated condition, showing chlorosis, a symptom of heavy-metal toxicity. Our results indicate that the tree C. barbinervis can tolerate high heavy-metal concentrations due to the support of root fungal endophytes including P. fortinii, R. veluwensis, and Rhizoscyphus sp. via growth enhancement, K uptake promotion and decrease of heavy metal concentrations.
Effects of site substitution and metal ion addition on doped manganites

CERN Document Server

Pradhan, A K; Roul, B K; Sahu, D R; Muralidhar, M

2002-01-01

We report transport, magnetization and transmission electron microscopy studies of the effects of A-and B-site substitution, and the addition of metal ions such as Pt, Ag and Sr, on doped ABO sub 3 perovskites, where A = La, Pr etc and B = Mn. Disorder induced by such substitution changes the behaviour of the charge-ordered (CO) state significantly. A-and B-site substitution suppresses the CO phase due to size mismatch and disorder produced by inhomogeneity. On the other hand, addition of metal ions such as Pt and Ag improves several colossal-magnetoresistance properties significantly due to microstructural effects and enhanced current percolation through grain boundaries.
Calculation of the surface energy of hcp-metals with the empirical electron theory

International Nuclear Information System (INIS)

Fu Baoqin; Liu Wei; Li Zhilin

2009-01-01

A brief introduction of the surface model based on the empirical electron theory (EET) and the dangling bond analysis method (DBAM) is presented in this paper. The anisotropy of spatial distribution of covalent bonds of hexagonal close-packed (hcp) metals such as Be, Mg, Sc, Ti, Co, Zn, Y, Zr, Tc, Cd, Hf, and Re, has been analyzed. And under the first-order approximation, the calculated surface energy values for low index surfaces of these hcp-metals are in agreement with experimental and other theoretical values. Correlated analysis showed that the anisotropy of surface energy of hcp-metals was related with the ratio of lattice constants (c/a). The calculation method for the research of surface energy provides a good basis for models of surface science phenomena, and the model may be extended to the surface energy estimation of more metals, alloys, ceramics, and so on, since abundant information about the valence electronic structure (VES) is generated from EET.
Surface chemistry and fundamental limitations on the plasma cleaning of metals

Energy Technology Data Exchange (ETDEWEB)

Dong, Bin, E-mail: bindong@my.unt.edu [Department of Chemistry, University of North Texas, 1155 Union Circle 305070, Denton, TX, 76203 (United States); Driver, M. Sky, E-mail: Marcus.Driver@unt.edu [Department of Chemistry, University of North Texas, 1155 Union Circle 305070, Denton, TX, 76203 (United States); Emesh, Ismail, E-mail: Ismail_Emesh@amat.com [Applied Materials Inc., 3050 Bowers Ave, Santa Clara, CA, 95054 (United States); Shaviv, Roey, E-mail: Roey_Shaviv@amat.com [Applied Materials Inc., 3050 Bowers Ave, Santa Clara, CA, 95054 (United States); Kelber, Jeffry A., E-mail: Jeffry.Kelber@unt.edu [Department of Chemistry, University of North Texas, 1155 Union Circle 305070, Denton, TX, 76203 (United States)

2016-10-30

Highlights: • O{sub 2}-free plasma treatment of air-exposed Co or Cu surfaces yields remnant C layers inert to further plasma cleaning. • The formation of the remnant C layer is graphitic (Cu) or carbidic (Co). • The formation of a remnant C layer is linked to plasma cleaning of a metal surface. - Abstract: In-situ X-ray photoelectron spectroscopy (XPS) studies reveal that plasma cleaning of air-exposed Co or Cu transition metal surfaces results in the formation of a remnant C film 1–3 monolayers thick, which is not reduced upon extensive further plasma exposure. This effect is observed for H{sub 2} or NH{sub 3} plasma cleaning of Co, and He or NH{sub 3} plasma cleaning of Cu, and is observed with both inductively coupled (ICP) and capacitively-coupled plasma (CCP). Changes in C 1 s XPS spectra indicate that this remnant film formation is accompanied by the formation of carbidic C on Co and of graphitic C on Cu. This is in contrast to published work showing no such remnant carbidic/carbon layer after similar treatments of Si oxynitride surfaces. The observation of the remnant carbidic C film on Co and graphitic film on Cu, but not on silicon oxynitride (SiO{sub x}N{sub y}), regardless of plasma chemistry or type, indicates that this effect is due to plasma induced secondary electron emission from the metal surface, resulting in transformation of sp{sup 3} adventitious C to either a metal carbide or graphite. These results suggest fundamental limitations to plasma-based surface cleaning procedures on metal surfaces.
Concentration and transportation of heavy metals in vegetables and risk assessment of human exposure to bioaccessible heavy metals in soil near a waste-incinerator site, South China.

Science.gov (United States)

Li, Ning; Kang, Yuan; Pan, Weijian; Zeng, Lixuan; Zhang, Qiuyun; Luo, Jiwen

2015-07-15

There is limited study focusing on the bioaccumulation of heavy metals in vegetables and human exposure to bioaccessible heavy metals in soil. In the present study, heavy metal concentrations (Cr, Ni, Cu, Pb and Cd) were measured in five types of vegetables, soil, root, and settled air particle samples from two sites (at a domestic waste incinerator and at 20km away from the incinerator) in Guangzhou, South China. Heavy metal concentrations in soil were greater than those in aerial parts of vegetables and roots, which indicated that vegetables bioaccumulated low amount of heavy metals from soil. The similar pattern of heavy metal (Cr, Cd) was found in the settled air particle samples and aerial parts of vegetables from two sites, which may suggest that foliar uptake may be an important pathway of heavy metal from the environment to vegetables. The highest levels of heavy metals were found in leaf lettuce (125.52μg/g, dry weight) and bitter lettuce (71.2μg/g) for sites A and B, respectively, followed by bitter lettuce and leaf lettuce for sites A and B, respectively. Swamp morning glory accumulated the lowest amount of heavy metals (81.02μg/g for site A and 53.2μg/g for site B) at both sites. The bioaccessibility of heavy metals in soil ranged from Cr (2%) to Cu (71.78%). Risk assessment showed that Cd and Pb in soil samples resulted in the highest non-cancer risk and Cd would result in unacceptable cancer risk for children and risk. The non-dietary intake of soil was the most important exposure pathway, when the bioaccessibility of heavy metals was taken into account. Copyright © 2015 Elsevier B.V. All rights reserved.
Heavy Metals Pollution on Surface Water Sources in Kaduna ...

African Journals Online (AJOL)

This study examine the effects of heavy metal pollutants to aquatic ecosystems and the environment by considering the role of urban, municipal, agricultural, industrial and other anthropogenic processes as sources of heavy metal pollution in surface water sources of Kaduna metropolis. Samples of the polluted water were ...
Enhanced photochemistry on metal surfaces

International Nuclear Information System (INIS)

Goncher, G.M.; Parsons, C.A.; Harris, C.B.

1984-01-01

Due to the fast relaxation of molecular excited states in the vicinity of a metal or semiconductor surface, few observations of surface photochemistry have been reported. The following work concerns the surface-enhanced photo-reactions of a variety of physisorbed molecules on roughened Ag surfaces. In summary, photodecomposition leads to a graphitic surface carbon product which is monitored via surface-enhanced Raman scattering. In most cases an initial two-photon molecular absorption step followed by further absorption and fragmentation is thought to occur. Enhancement of the incident fields occurs through roughness-mediated surface plasmon resonances. This mechanism provides the amplified electromagnetic surface fields responsible for the observed photodecomposition. The photodecomposition experiments are performed under ultra-high vacuum. Surface characterization of the roughened surfaces was done by Scanning Electron Microscopy (SEM), and electron-stimulated emission. The SEM revealed morphology on the order of 300-400 A. This size of roughness feature, when modelled as isolated spheres should exhibit the well-known Mie resonances for light of the correct wavelengths. For protrusions existing on a surface these Mie resonances can be thought of as a coupling of the light with the surface plasmon. Experimental verification of these resonances was provided by the electron-stimulated light emission results. These showed that a polished Ag surface emitted only the expected transition radiation at the frequency of the Ag bulk plasmon. Upon roughening, however, a broad range of lower frequencies extending well into the visible are seen from electron irradiation of the surface. Large enhancements are expected for those frequencies which are able to couple into the surface modes

Resonant Excitation of Terahertz Surface Plasmons in Subwavelength Metal Holes

Directory of Open Access Journals (Sweden)

Weili Zhang

2007-01-01

Full Text Available We present a review of experimental studies of resonant excitation of terahertz surface plasmons in two-dimensional arrays of subwavelength metal holes. Resonant transmission efficiency higher than unity was recently achieved when normalized to the area occupied by the holes. The effects of hole shape, hole dimensions, dielectric function of metals, polarization dependence, and array film thickness on resonant terahertz transmission in metal arrays were investigated by the state-of-the-art terahertz time-domain spectroscopy. In particular, extraordinary terahertz transmission was demonstrated in arrays of subwavelength holes made even from Pb, a generally poor metal, and having thickness of only one-third of skin depth. Terahertz surface plasmons have potential applications in terahertz imaging, biosensing, interconnects, and development of integrated plasmonic components for terahertz generation and detection.
Surface modifying method for metal member

International Nuclear Information System (INIS)

Amano, Kazuo; Enomoto, Kunio; Hirano, Akihiko; Hirano, Atsuya; Hattori, Shigeo; Hayashi, Eisaku; Ueyama, Toshiharu; Hayashi, Makoto

1998-01-01

A surface of a metal member such as carbon steel to be used in a corrosion circumstance such as in a nuclear power plant and a thermoelectric plant are polished. A printing method is conducted for removing obstacles on the surface of the member. Namely, a photographing printing paper immersed in a diluted sulfuric acid solution is appended tightly to the portion with its surface polished smoothly. Sulfur present in the form of an obstacle of MnS or present alone in the material reacts with the sulfuric acid to form a sulfuric acid gas, and reacts with Ag of the printing paper to discolor the printing paper to brown. When a peeled printing paper is discolored to brown, sulfur printing is repeated. After conforming that the peeled printing paper is white, the surface is washed. Subsequently, surface plasticization is conducted by water jet peening or shot peening. (I.N.)
Fractal modeling of fluidic leakage through metal sealing surfaces

Science.gov (United States)

Zhang, Qiang; Chen, Xiaoqian; Huang, Yiyong; Chen, Yong

2018-04-01

This paper investigates the fluidic leak rate through metal sealing surfaces by developing fractal models for the contact process and leakage process. An improved model is established to describe the seal-contact interface of two metal rough surface. The contact model divides the deformed regions by classifying the asperities of different characteristic lengths into the elastic, elastic-plastic and plastic regimes. Using the improved contact model, the leakage channel under the contact surface is mathematically modeled based on the fractal theory. The leakage model obtains the leak rate using the fluid transport theory in porous media, considering that the pores-forming percolation channels can be treated as a combination of filled tortuous capillaries. The effects of fractal structure, surface material and gasket size on the contact process and leakage process are analyzed through numerical simulations for sealed ring gaskets.
Optimized Hypernetted-Chain Solutions for Helium -4 Surfaces and Metal Surfaces

Science.gov (United States)

Qian, Guo-Xin

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

International Nuclear Information System (INIS)

Dirkes, R.L.

1998-01-01

Environmental surveillance of the Hanford Site and the surrounding region is conducted to demonstrate compliance with environmental regulations, confirm adherence to US Department of Energy (DOE) environmental protection policies, support DOE environmental management decisions, and provide information to the public. The Surface Environmental Surveillance Project (SESP) is a multimedia environmental monitoring program conducted to measure the concentrations of radionuclides and chemical contaminants in the environment and assess the integrated effects of these contaminants on the environment and the public. The monitoring program includes sampling air, surface water, sediments, soil, natural vegetation, agricultural products, fish, and wildlife. Functional elements inherent in the operation of the SESP include project management, quality assurance/control, training, records management, environmental sampling network design and implementation, sample collection, sample analysis, data management, data review and evaluation, exposure assessment, and reporting. The SESP focuses on those contaminant/media combinations calculated to have the highest potential for contributing to off-site exposure. Results of the SESP indicate that contaminant concentrations in the Hanford environs are very low, generally below environmental standards, at or below analytical detection levels, and indicative of environmental levels. However, areas of elevated contaminant concentrations have been identified at Hanford. The extent of these areas is generally limited to past operating areas and waste disposal sites
Bioavailability of particulate metal to zebra mussels: biodynamic modelling shows that assimilation efficiencies are site-specific.

Science.gov (United States)

Bourgeault, Adeline; Gourlay-Francé, Catherine; Priadi, Cindy; Ayrault, Sophie; Tusseau-Vuillemin, Marie-Hélène

2011-12-01

This study investigates the ability of the biodynamic model to predict the trophic bioaccumulation of cadmium (Cd), chromium (Cr), copper (Cu), nickel (Ni) and zinc (Zn) in a freshwater bivalve. Zebra mussels were transplanted to three sites along the Seine River (France) and collected monthly for 11 months. Measurements of the metal body burdens in mussels were compared with the predictions from the biodynamic model. The exchangeable fraction of metal particles did not account for the bioavailability of particulate metals, since it did not capture the differences between sites. The assimilation efficiency (AE) parameter is necessary to take into account biotic factors influencing particulate metal bioavailability. The biodynamic model, applied with AEs from the literature, overestimated the measured concentrations in zebra mussels, the extent of overestimation being site-specific. Therefore, an original methodology was proposed for in situ AE measurements for each site and metal. Copyright © 2011 Elsevier Ltd. All rights reserved.
Site selection report basalt waste isolation program near-surface test facility

International Nuclear Information System (INIS)

Sharpe, S.D.

1978-01-01

A site selection committee was established to review the information gathered on potential sites and to select a site for the Near-Surface Test Facility Phase I. A decision was made to use a site on the north face of Gable Mountain located on the Hanford Site. This site provided convenient access to the Pomona Basalt Flow. This flow was selected for use at this site because it exhibited the characteristics established in the primary criteria. These criteria were: the flows thickness; its dryness; its nearness to the surface; and, its similarities to basalt units which are candidates for the repository. After the selection of the Near-Surface Test Facility Phase I Site, the need arose for an additional facility to demonstrate safe handling, storage techniques, and the physical effects of radioactive materials on an in situ basalt formation. The committee reviewed the sites selected for Phase I and chose the same site for locating Phase II of the Near-Surface Test Facility
Image-potential states on the metallic (111) surface of bismuth

International Nuclear Information System (INIS)

Muntwiler, Matthias; Zhu, X-Y

2008-01-01

An extended series (up to n=6, in quantum beats) of image-potential states (IPS) is observed in time-resolved two-photon photoelectron (TR-2PPE) spectroscopy of the Bi(111) surface. Although mainly located in the vacuum, these states probe various properties of the electronic structure of the surface as reflected in their energetics and dynamics. Based on the observation of IPS a projected gap in the surface normal direction is inferred in the region from 3.57 to 4.27 eV above the Fermi level. Despite this band gap, the lifetimes of the IPS are shorter than on comparable metals, which is an indication of the metallic character of the Bi(111) surface.
A comparison of surface properties of metallic thin film photocathodes

CERN Document Server

Mistry, Sonal; Valizadeh, Reza; Jones, L.B; Middleman, Keith; Hannah, Adrian; Militsyn, B.L; Noakes, Tim

2017-01-01

In this work the preparation of metal photocathodes by physical vapour deposition magnetron sputtering has been employed to deposit metallic thin films onto Cu, Mo and Si substrates. The use of metallic cathodes offers several advantages: (i) metal photocathodes present a fast response time and a relative insensitivity to the vacuum environment (ii) metallic thin films when prepared and transferred in vacuum can offer smoother and cleaner emitting surfaces. The photocathodes developed here will ultimately be used in S-band Normal Conducting RF (NCRF) guns such as that used in VELA (Versatile Electron Linear Accelerator) and the proposed CLARA (Compact Linear Accelerator for Research and Applications) Free Electron Laser test facility. The samples grown on Si substrates were used to investigate the morphology and thickness of the film. The samples grown onto Cu and Mo substrates were analysed and tested as photocathodes in a surface characterisation chamber, where X-Ray Photoelectron spectroscopy (XPS) was emp...
Terahertz plasmon and surface-plasmon modes in cylindrical metallic nanowires

International Nuclear Information System (INIS)

Wu Ping; Xu Wen; Li Long-Long; Lu Tie-Cheng; Wu Wei-Dong

2014-01-01

We present a theoretical study on collective excitation modes associated with plasmon and surface-plasmon oscillations in cylindrical metallic nanowires. Based on a two-subband model, the dynamical dielectric function matrix is derived under the random-phase approximation. An optic-like branch and an acoustic-like branch, which are free of Landau damping, are observed for both plasmon and surface-plasmon modes. Interestingly, for surface-plasmon modes, we find that two branches of the dispersion relation curves converge at a wavevector q z = q max beyond which no surface-plasmon mode exists. Moreover, we examine the dependence of these excitation modes on sample parameters such as the radius of the nanowires. It is found that in metallic nanowires realized by state-of-the-art nanotechnology the intra- and inter-subband plasmon and surface-plasmon frequencies are in the terahertz bandwidth. The frequency of the optic-like modes decreases with increasing radius of the nanowires, whereas that of the acoustic-like modes is not sensitive to the variation of the radius. This study is pertinent to the application of metallic nanowires as frequency-tunable terahertz plasmonic devices. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
Multifunctional methacrylate-based coatings for glass and metal surfaces

Science.gov (United States)

Pospiech, Doris; Jehnichen, Dieter; Starke, Sandra; Müller, Felix; Bünker, Tobias; Wollenberg, Anne; Häußler, Liane; Simon, Frank; Grundke, Karina; Oertel, Ulrich; Opitz, Michael; Kruspe, Rainer

2017-03-01

In order to prevent freshwater biofouling glass and metal surfaces were coated with novel transparent methacrylate-based copolymers. The multifunctionality of the copolymers, such as adhesion to the substrate, surface polarity, mechanical long-term stability in water, and ability to form metal complexes was inserted by the choice of suitable comonomers. The monomer 2-acetoacetoxy ethyl methacrylate (AAMA) was used as complexing unit to produce copper(II) complexes in the coating's upper surface layer. The semifluorinated monomer 1H,1H,2H,2H-perfluorodecyl methacrylate was employed to adjust the surface polarity and wettability. Comprehensive surface characterization techniques, such as X-ray photoelectron spectroscopy (XPS) and contact angle measurements showed that surface compositions and properties can be easily adjusted by varying the concentrations of the comonomers. The formation of copper(II) complexes along the copolymer chains and their stability against washing out with plenty of water was proven by XPS. Copolymers containing semifluorinated comonomers significantly inhibited the growth of Achnanthidium species. Copolymers with copper-loaded AAMA-sequences were able to reduce both the growth of Achnanthidium spec. and Staphylococcus aureus.
Asperity interaction in adhesive contact of metallic rough surfaces

International Nuclear Information System (INIS)

Sahoo, Prasanta; Banerjee, Atanu

2005-01-01

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

International Nuclear Information System (INIS)

Liu, Peng; Cao, Ling; Zhao, Wei; Xia, Yue; Huang, Wei; Li, Zelin

2015-01-01

Graphical abstract: - Highlights: • Several superhydrophobic metallic surfaces were fabricated by fast electrodeposition. • Both micro/nanostructures and adsorption of airborne hydrocarbons make contributions. • XPS analyses confirm presence of airborne hydrocarbons on these metallic surfaces. • The adsorption of airborne hydrocarbons on the clean metal Au surface was very quick. • UV-O 3 treatment oxidized the hydrocarbons to hydrophilic oxygen-containing organics. - Abstract: Electrochemical fabrication of micro/nanostructured metallic surfaces with superhydrophobicity has recently aroused great attention. However, the origin still remains unclear why smooth hydrophilic metal surfaces become superhydrophobic by making micro/nanostructures without additional surface modifications. In this work, several superhydrophobic micro/nanostructured metal surfaces were prepared by a facile one-step electrodeposition process, including non-noble and noble metals such as copper, nickel, cadmium, zinc, gold, and palladium with (e.g. Cu) or without (e.g. Au) surface oxide films. We demonstrated by SEM and XPS that both hierarchical micro/nanostructures and spontaneous adsorption of airborne hydrocarbons endowed these surfaces with excellent superhydrophobicity. We revealed by XPS that the adsorption of airborne hydrocarbons at the Ar + -etched clean Au surface was rather quick, such that organic contamination can hardly be prevented in practical operation of surface wetting investigation. We also confirmed by XPS that ultraviolet-O 3 treatment of the superhydrophobic metal surfaces did not remove the adsorbed hydrocarbons completely, but mainly oxidized them into hydrophilic oxygen-containing organic substances. We hope our findings here shed new light on deeper understanding of superhydrophobicity for micro/nanostructured metal surfaces with and without surface oxide films
RFID Label Tag Design for Metallic Surface Environments

Directory of Open Access Journals (Sweden)

Ki Hwan Eom

2011-01-01

Full Text Available This paper describes a metal mount RFID tag that works reliably on metallic surfaces. The method proposes the use of commercial label type RFID tags with 2.5 mm thick Styrofoam103.7 with a relative permittivity of 1.03 attached on the back of the tag. In order to verify the performance of the proposed method, we performed experiments on an electric transformer supply chain system. The experimental results showed that the proposed tags can communicate with readers from a distance of 2 m. The recognition rates are comparable to those of commercial metallic mountable tags.
Spoof surface plasmon modes on doubly corrugated metal surfaces at terahertz frequencies

International Nuclear Information System (INIS)

Liu, Yong-Qiang; Kong, Ling-Bao; Du, Chao-Hai; Liu, Pu-Kun

2016-01-01

Spoof surface plasmons (SSPs) have many potential applications such as imaging and sensing, communications, innovative leaky wave antenna and many other passive devices in the microwave and terahertz (THz) spectrum. The extraordinary properties of SSPs (e.g. extremely strong near field, enhanced beam–wave interaction) make them especially attractive for developing novel THz electronic sources. SSP modes on doubly corrugated metal surfaces are investigated and analyzed both theoretically and numerically in this paper. The analytical SSP dispersion expressions of symmetric and anti-symmetric modes are obtained with a simplified modal field expansion method; the results are also verified by the finite integration method. Additionally, the propagation losses are also considered for real copper surfaces with a limited constant conductivity in a THz regime. It is shown that the asymptotical frequency of the symmetric mode at the Brillouin boundary decreases along with the decreased gap size between these two corrugated metal surfaces while the asymptotical frequency increases for the anti-symmetric mode. The anti-symmetric mode demonstrates larger propagation losses than the symmetric mode. Further, the losses for both symmetric and anti-symmetric modes decrease when this gap size enlarges. By decreasing groove depth, the asymptotical frequency increases for both the symmetric and the anti-symmetric mode, but the variation of propagation losses is more complicated. Propagation losses increase along with the increased period. Our studies on the dispersion characteristics and propagation losses of SSP modes on this doubly corrugated metallic structure with various parameters is instructive for numerous applications such as waveguides, circuitry systems with high integration, filters and powerful electronic sources in the THz regime. (paper)
Acid-base characteristics of powdered-activated-carbon surfaces

Energy Technology Data Exchange (ETDEWEB)

Reed, B.E. (West Virginia Univ., Morgantown (United States)); Jensen, J.N.; Matsumoto, M.R. (State Univ. of New York, Buffalo (United States))

Adsorption of heavy metals onto activated carbon has been described using the surface-complex-formation (SCF) model, a chemical equilibrium model. The SCF model requires a knowledge of the amphoteric nature of activated carbon prior to metal adsorption modeling. In the past, a single-diprotic-acid-site model had been employed to describe the amphoteric nature of activated-carbon surfaces. During this study, the amphoteric nature of two powdered activated carbons were investigated, and a three-monoprotic site surface model was found to be a plausible alternative. The single-diprotic-acid-site and two-monoprotic-site models did not describe the acid-base behavior of the two carbons studied adequately. The two-diprotic site was acceptable for only one of the study carbons. The acid-base behavior of activated carbon surfaces seem to be best modeled as a series of weak monoprotic acids.
Oxide surfaces and metal/oxide interfaces studied by grazing incidence X-ray scattering

Science.gov (United States)

Renaud, Gilles

Experimental determinations of the atomic structure of insulating oxide surfaces and metal/oxide interfaces are scarce, because surface science techniques are often limited by the insulating character of the substrate. Grazing incidence X-ray scattering (GIXS), which is not subject to charge effects, can provide very precise information on the atomic structure of oxide surfaces: roughness, relaxation and reconstruction. It is also well adapted to analyze the atomic structure, the registry, the misfit relaxation, elastic or plastic, the growth mode and the morphology of metal/oxide interfaces during their growth, performed in situ. GIXS also allows the analysis of thin films and buried interfaces, in a non-destructive way, yielding the epitaxial relationships, and, by variation of the grazing incidence angle, the lattice parameter relaxation along the growth direction. On semi-coherent interfaces, the existence of an ordered network of interfacial misfit dislocations can be demonstrated, its Burger's vector determined, its ordering during in situ annealing cycles followed, and sometimes even its atomic structure can be addressed. Careful analysis during growth allows the modeling of the dislocation nucleation process. This review emphasizes the new information that GIXS can bring to oxide surfaces and metal/oxide interfaces by comparison with other surface science techniques. The principles of X-ray diffraction by surfaces and interfaces are recalled, together with the advantages and properties of grazing angles. The specific experimental requirements are discussed. Recent results are presented on the determination of the atomic structure of relaxed or reconstructed oxide surfaces. A description of results obtained during the in situ growth of metal on oxide surfaces is also given, as well as investigations of thick metal films on oxide surfaces, with lattice parameter misfit relaxed by an array of dislocations. Recent work performed on oxide thin films having
Fractionation and risk assessment of Fe and Mn in surface sediments from coastal sites of Sonora, Mexico (Gulf of California).

Science.gov (United States)

Jara-Marini, Martín E; García-Camarena, Raúl; Gómez-Álvarez, Agustín; García-Rico, Leticia

2015-07-01

The aim of this study was to evaluate Fe and Mn distribution in geochemical fractions of the surface sediment of four oyster culture sites in the Sonora coast, Mexico. A selective fractionation scheme to obtain five fractions was adapted for the microwave system. Surface sediments were analyzed for carbonates, organic matter contents, and Fe and Mn in geochemical fractions. The bulk concentrations of Fe ranged from 10,506 to 21,918 mg/kg (dry weight, dry wt), and the bulk concentrations of Mn ranged from 185.1 to 315.9 mg/kg (dry wt) in sediments, which was low and considered as non-polluted in all of the sites. The fractionation study indicated that the major geochemical phases for the metals were the residual, as well as the Fe and Mn oxide fractions. The concentrations of metals in the geochemical fractions had the following order: residual > Fe and Mn oxides > organic matter > carbonates > interchangeable. Most of the Fe and Mn were linked to the residual fraction. Among non-residual fractions, high percentages of Fe and Mn were linked to Fe and Mn oxides. The enrichment factors (EFs) for the two metals were similar in the four studied coasts, and the levels of Fe and Mn are interpreted as non-enrichment (EF < 1) because the metals concentrations were within the baseline concentrations. According to the environmental risk assessment codes, Fe and Mn posed no risk and low risk, respectively. Although the concentrations of Fe and Mn were linked to the residual fraction, the levels in non-residual fractions may significantly result in the transference of other metals, depending on several physico-chemical and biological factors.
Heavy metals in vegetables sampled from farm and market sites in Accra metropolis, Ghana

International Nuclear Information System (INIS)

Fordjour, Linda Addae

2015-07-01

This study reports for the first time in Ghana long-term monitoring of heavy metal contamination of vegetables. As reliable residue data analysis resulting from monitoring programs in foods is of great value to the general populace; this could address the possible risk of heavy metal exposure to human health. In this study, monitoring of heavy metals (As, Cd, Co, Cr, Cu, Fe, Mn, Ni, Pb and Zn) in consumable vegetables was assessed for a period of 2 years, 2013-2014. In all, a total of 479 vegetables (cabbage (Brassica oleracea), carrot (Daucus carota), cucumber (Cucumis sativus), green pepper (Capsicum annuum) and lettuce (Lactuca sativa)) were purchased from farm (production) and market sites within Accra Metropolis, Ghana. Samples were subjected to acid digestion and analyzed with atomic absorption spectrometer (AAS). All the vegetables studied contained at least two (2) or more metals; 18.99% of the samples had metal detections below the European Union (EU) guideline values, whereas 81% were above limits. Vegetables from Mallam Attah market and the Ghana Broadcasting Corporation (GBC) sites registered the highest percentage exceedances (100%) with the largest violation occurring in lettuce (97.41%). Elevated concentrations of these metals were also observed in vegetables from markets compared to the farms except As, Cd, Co and Fe. Ni and Cr were undetected in vegetables from farms, however their maximum concentrations (1.236 and 2.459 mg/kg) were recorded in lettuce at market sites. Additionally, the significant metal increases in vegetables from the markets could be due to atmospheric depositions and mode of handling by both farmers and buyers. On the other hand, studies of the soils from the various farm sites had varying mean concentrations of heavy metals, Fe (189.703), Mn (142.246) and As (9.145 mg/kg). However, all the metal levels in the soil were below EU limits, except As (24.2 mg/kg) found at Dzorwulu site, which exceeded the 20.0 mg/kg limit for As in
Photoemission studies of clean and adsorbate covered metal surfaces using synchrotron and uv radiation sources

International Nuclear Information System (INIS)

Apai, G.R. II.

1977-09-01

Photoemission energy distribution experiments on clean metal and adsorbate-covered surfaces were performed under ultrahigh vacuum conditions by using x-ray and ultraviolet photon sources in the laboratory as well as continuously-tunable, highly polarized synchrotron radiation obtainable at the Stanford Synchrotron Radiation Laboratory (SSRL). Studies focused on two general areas: cross-section modulation in the photoemission process was studied as a function of photon energy and orbital composition. Sharp decreases in intensity of the valence bands of several transition metals (i.e., Ag, Au, and Pt) are attributed to the radial nodes in the respective wave functions. Adsorbate photoemission studies of CO adsorbed on platinum single crystals have demonstrated a very high spectral sensitivity to the 4sigma and (1π + 5sigma) peaks of CO at photon energies of 150 eV. Angle-resolved photoemission allowed determination of the orientation of CO chemisorbed on a Pt (111) or Ni(111) surface. Prelinimary results at high photon energies (approximately 150 eV) indicated scattering from the substrate which could yield chemisorption site geometries

Designing porous metallic glass compact enclosed with surface iron oxides

Energy Technology Data Exchange (ETDEWEB)

Cho, Jae Young; Park, Hae Jin; Hong, Sung Hwan; Kim, Jeong Tae; Kim, Young Seok; Park, Jun-Young; Lee, Naesung [Hybrid Materials Center (HMC), Faculty of Nanotechnology and Advanced Materials Engineering, Sejong University, 209 Neungdong-ro, Gwangjin-gu, Seoul 143-747 (Korea, Republic of); Seo, Yongho [Graphene Research Institute (GRI) & HMC, Faculty of Nanotechnology and Advanced Materials Engineering, Sejong University, 209 Neungdong-ro, Gwangjin-gu, Seoul 143-747 (Korea, Republic of); Park, Jin Man, E-mail: jinman_park@hotmail.com [Global Technology Center, Samsung Electronics Co., Ltd, 129 Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do 443-742 (Korea, Republic of); Kim, Ki Buem, E-mail: kbkim@sejong.ac.kr [Hybrid Materials Center (HMC), Faculty of Nanotechnology and Advanced Materials Engineering, Sejong University, 209 Neungdong-ro, Gwangjin-gu, Seoul 143-747 (Korea, Republic of)

2015-06-25

Highlights: • Porous metallic glass compact was developed using electro-discharge sintering process. • Uniform PMGC can only be achieved when low electrical input energy was applied. • Functional iron-oxides were formed on the surface of PMGCs by hydrothermal technique. - Abstract: Porous metallic glass compact (PMGC) using electro-discharge sintering (EDS) process of gas atomized Zr{sub 41.2}Ti{sub 13.8}Cu{sub 12.5}Ni{sub 10}Be{sub 22.5} metallic glass powder was developed. The formation of uniform PMGC can only be achieved when low electrical input energy was applied. Functional iron-oxides were formed on the surface of PMGCs by hydrothermal technique. This finding suggests that PMGC can be applied in the new area such as catalyst via hydrothermal technique and offer a promising guideline for using the metallic glasses as a potential functional application.
HEAVY METALS IN SURFACE MUD SEDIMENT IN EKATERINBURG (RUSSIA

Directory of Open Access Journals (Sweden)

A. A. Seleznev

2018-03-01

Full Text Available Problem Statement. Now the most part of the world’s population lives in cities, thus, it is relevant the search for universal, low-cost and express methods for environmental geochemical investigations of an urban environment. The objective of the study is the assessment of content and properties of surface mud sediment at the urban territory (on the example of Ekaterinburg, Russia. Methods of the study. The 30 samples of surface mud sediment, soils and ground were collected in the residential area of the city. Particle size composition, measurements of heavy metals content, correlation analysis was conducted for the samples. Results. Surface mud sediment at the residential territories can be classified as surface facie of the recent anthropogenic sediment. Samples of the environmental compartments were collected at the territories of six blocks of houses of various years of construction, located in various parts of the city and at the various geological units. Five samples were collected in each block: 3 samples within the block and 2 samples – outside. The content of Pb, Zn, Cu, Ni, Co, and Mn was measured in particle size fractions of the samples. Particle size composition of the surface mud sediment in Ekaterinburg is similar to the particle size composition of the grounds formed on the sediments of Holocene age in Urals region. The positive statistically significant correlation was found between the couples of metals: Zn and Pb, Zn and Cu, Co and Ni. The distribution of concentrations of Pb, Zn and Cu over particle size fractions of surface mud sediment is heterogeneous. Pollution of the ground and soil in urban areas is due to the transition of heavy metals with particles of dust and fine sand. Typical geochemical association of metals for particle size fraction of surface mud sediment 0.002–0.01 mm – Mn-Zn-Ni-Cu-Pb-Co, that is similar to the association for sediments of surface puddles in local zones of relief, soils and bottom
Heavy metals in surface sediments of the Jialu River, China: Their relations to environmental factors

Energy Technology Data Exchange (ETDEWEB)

Fu, Jie [State Key Laboratory of Pharmaceutical Biotechnology, School of Life Sciences, Nanjing University, Nanjing 210093 (China); Environmental Engineering Program, Department of Civil Engineering, Auburn University, Auburn, AL 36849 (United States); Zhao, Changpo [State Key Laboratory of Pharmaceutical Biotechnology, School of Life Sciences, Nanjing University, Nanjing 210093 (China); Luo, Yupeng [Department of Mathematics and Statistics, Auburn University, Auburn, AL 36849 (United States); Liu, Chunsheng, E-mail: liuchunshengidid@126.com [College of Fisheries, Huazhong Agricultural University, Wuhan 430070 (China); Kyzas, George Z. [Laboratory of General and Inorganic Chemical Technology, Department of Chemistry, Aristotle University of Thessaloniki, Thessaloniki 54124 (Greece); Luo, Yin [State Key Laboratory of Pharmaceutical Biotechnology, School of Life Sciences, Nanjing University, Nanjing 210093 (China); Zhao, Dongye [Environmental Engineering Program, Department of Civil Engineering, Auburn University, Auburn, AL 36849 (United States); An, Shuqing [State Key Laboratory of Pharmaceutical Biotechnology, School of Life Sciences, Nanjing University, Nanjing 210093 (China); Zhu, Hailiang, E-mail: zhuhl@nju.edu.cn [State Key Laboratory of Pharmaceutical Biotechnology, School of Life Sciences, Nanjing University, Nanjing 210093 (China)

2014-04-01

Highlights: • Zhengzhou City had major effect on the pollution of the Jialu River. • TN, OP, TP and COD{sub Mn} in water drove heavy metals to deposit in sediments. • B-IBI was sensitive to the adverse effect of heavy metals in sediments. - Abstract: This work investigated heavy metal pollution in surface sediments of the Jialu River, China. Sediment samples were collected at 19 sites along the river in connection with field surveys and the total concentrations were determined using atomic fluorescence spectrometer and inductively coupled plasma optical emission spectrometer. Sediment samples with higher metal concentrations were collected from the upper reach of the river, while sediments in the middle and lower reaches had relatively lower metal concentrations. Multivariate techniques including Pearson correlation, hierarchical cluster and principal components analysis were used to evaluate the metal sources. The ecological risk associated with the heavy metals in sediments was rated as moderate based on the assessments using methods of consensus-based Sediment Quality Guidelines, Potential Ecological Risk Index and Geo-accumulation Index. The relations between heavy metals and various environmental factors (i.e., chemical properties of sediments, water quality indices and aquatic organism indices) were also studied. Nitrate nitrogen, total nitrogen, and total polycyclic aromatic hydrocarbons concentrations in sediments showed a co-release behavior with heavy metals. Ammonia nitrogen, total nitrogen, orthophosphate, total phosphate and permanganate index in water were found to be related to metal sedimentation. Heavy metals in sediments posed a potential impact on the benthos community.
Heavy metals in surface sediments of the Jialu River, China: Their relations to environmental factors

International Nuclear Information System (INIS)

Fu, Jie; Zhao, Changpo; Luo, Yupeng; Liu, Chunsheng; Kyzas, George Z.; Luo, Yin; Zhao, Dongye; An, Shuqing; Zhu, Hailiang

2014-01-01

Highlights: • Zhengzhou City had major effect on the pollution of the Jialu River. • TN, OP, TP and COD Mn in water drove heavy metals to deposit in sediments. • B-IBI was sensitive to the adverse effect of heavy metals in sediments. - Abstract: This work investigated heavy metal pollution in surface sediments of the Jialu River, China. Sediment samples were collected at 19 sites along the river in connection with field surveys and the total concentrations were determined using atomic fluorescence spectrometer and inductively coupled plasma optical emission spectrometer. Sediment samples with higher metal concentrations were collected from the upper reach of the river, while sediments in the middle and lower reaches had relatively lower metal concentrations. Multivariate techniques including Pearson correlation, hierarchical cluster and principal components analysis were used to evaluate the metal sources. The ecological risk associated with the heavy metals in sediments was rated as moderate based on the assessments using methods of consensus-based Sediment Quality Guidelines, Potential Ecological Risk Index and Geo-accumulation Index. The relations between heavy metals and various environmental factors (i.e., chemical properties of sediments, water quality indices and aquatic organism indices) were also studied. Nitrate nitrogen, total nitrogen, and total polycyclic aromatic hydrocarbons concentrations in sediments showed a co-release behavior with heavy metals. Ammonia nitrogen, total nitrogen, orthophosphate, total phosphate and permanganate index in water were found to be related to metal sedimentation. Heavy metals in sediments posed a potential impact on the benthos community
Geometrically induced surface polaritons in planar nanostructured metallic cavities

Energy Technology Data Exchange (ETDEWEB)

Davids, P. S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Intravia, F [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Dalvit, Diego A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2014-01-14

We examine the modal structure and dispersion of periodically nanostructured planar metallic cavities within the scattering matrix formulation. By nanostructuring a metallic grating in a planar cavity, artificial surface excitations or spoof plasmon modes are induced with dispersion determined by the periodicity and geometric characteristics of the grating. These spoof surface plasmon modes are shown to give rise to new cavity polaritonic modes at short mirror separations that modify the density of modes in nanostructured cavities. The increased modal density of states form cavity polarirons have a large impact on the fluctuation induced electromagnetic forces and enhanced hear transfer at short separations.
Investigation of the metal binding site in methionine aminopeptidase by density functional theory

DEFF Research Database (Denmark)

Jørgensen, Anne Techau; Norrby, Per-Ola; Liljefors, Tommy

2002-01-01

All methionine aminopeptidases exhibit the same conserved metal binding site. The structure of this site with either Co2+ ions or Zn2+ ions was investigated using density functional theory. The calculations showed that the structure of the site was not influenced by the identity of the metal ions....... This was the case for both of the systems studied; one based on the X-ray structure of the human methionine aminopeptidase type 2 (hMetAP-2) and the other based on the X-ray structure of the E. coli methionine aminopeptidase type 1 (eMetAP-1). Another important structural issue is the identity of the bridging...
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...
Reactive solute transport in streams: A surface complexation approach for trace metal sorption

Science.gov (United States)

Runkel, Robert L.; Kimball, Briant A.; McKnight, Diane M.; Bencala, Kenneth E.

1999-01-01

A model for trace metals that considers in-stream transport, metal oxide precipitation-dissolution, and pH-dependent sorption is presented. Linkage between a surface complexation submodel and the stream transport equations provides a framework for modeling sorption onto static and/or dynamic surfaces. A static surface (e.g., an iron- oxide-coated streambed) is defined as a surface with a temporally constant solid concentration. Limited contact between solutes in the water column and the static surface is considered using a pseudokinetic approach. A dynamic surface (e.g., freshly precipitated metal oxides) has a temporally variable solid concentration and is in equilibrium with the water column. Transport and deposition of solute mass sorbed to the dynamic surface is represented in the stream transport equations that include precipitate settling. The model is applied to a pH-modification experiment in an acid mine drainage stream. Dissolved copper concentrations were depressed for a 3 hour period in response to the experimentally elevated pH. After passage of the pH front, copper was desorbed, and dissolved concentrations returned to ambient levels. Copper sorption is modeled by considering sorption to aged hydrous ferric oxide (HFO) on the streambed (static surface) and freshly precipitated HFO in the water column (dynamic surface). Comparison of parameter estimates with reported values suggests that naturally formed iron oxides may be more effective in removing trace metals than synthetic oxides used in laboratory studies. The model's ability to simulate pH, metal oxide precipitation-dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between trace metal chemistry and hydrologic transport at the field scale.
Synchrotron far-IR RAIRS studies of interfaces created by polyfunctional organic molecules at defined metal surfaces

International Nuclear Information System (INIS)

Raval, R.; Williams, J.; Roberts, A.J.; Nunney, T.S.; Surman, M.

1998-01-01

Far-IR Reflection Absorption Infrared Spectroscopy (RAIRS) has been used to probe sub monolayers and multilayers of polyfunctional organic ad layers deposited under clean controlled conditions on small-area single-crystal surfaces, using the newly commissioned Daresbury 13.3 far-IR synchrotron beamline. It's shown that the current performance of the beamline allows to monitor fractions of monolayers of formate species on Cu(110), formed at 300 K from the deprotonation of formic acid. Two distinct vCu-O vibrations are observed for coverages up to 0.25 monolayer. The paper attributes the two bands to at least two chemically distinct species, each possessing a local site symmetry of C 2v and bonded to the metal surface via the two oxygen atoms. The two types of formate species are thought to arise from local density fluctuations in formate coverage across the ad layer which leads to local changes in the Cu-O bond. In additions, it's reported far-IR RAIRS spectra of bio molecule/metal interfaces created by depositing thin films (3-10 layers) of the chiral amino-acid, L-methionine, on Cu(110) at 300 K. The multilayer spectra closely resemble the far-IR spectra obtained from crystalline L-methionine, suggesting that the thin layer consists of the zwitterionic species. These thin bio films are stable on the surface to >330 K. No growth of metal-ligand vibrations in the multilayer phase is observed, demonstrating that corrosive chemisorption processes that create Cu-methionine complexes in the multilayer by leaching of surface Cu atoms do not occur in these conditions
Surface-enhanced Raman scattering from metal and transition metal nano-caped arrays

Science.gov (United States)

Sun, Huanhuan; Gao, Renxian; Zhu, Aonan; Hua, Zhong; Chen, Lei; Wang, Yaxin; Zhang, Yongjun

2018-03-01

The metal and transition metal cap-shaped arrays on polystyrene colloidal particle (PSCP) templates were fabricated to study the surface-enhanced Raman scattering (SERS) effect. We obtained the Ag and Fe complex film by a co-sputtering deposition method. The size of the deposited Fe particle was changed by the sputtering power. We also study the SERS enhancement mechanism by decorating the PATP probe molecule on the different films. The SERS signals increased firstly, and then decreased as the size of Fe particles grows gradually. The finite-difference time domain (FDTD) simulation and experimental Raman results manifest that SERS enhancement was mainly attributed to surface plasma resonance (SPR) between Ag and Ag nanoparticles. The SERS signals of PATP molecule were enhanced to reach a lowest detectable concentration of 10-8 mol/L. The research demonstrates that the SERS substrates with Ag-Fe cap-shaped arrays have a high sensitivity.
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.
TXRF study of electrochemical deposition of metals on glass-ceramic carbon electrode surfaces

International Nuclear Information System (INIS)

Alov, N.; Oskolok, K.; Wittershagen, A.; Mertens, M.; Rittmeyer, C.; Kolbesen, B.O.

2000-01-01

Nowadays the methods of solid surface analysis are widely used to study the thermodynamic and kinetic aspects of joint electrochemical deposition of metals on solid substrates. In this work the surfaces of some binary and ternary metal electrodeposits on disc glass-ceramic carbon electrodes were studied by total-reflection x-ray fluorescence spectroscopy (TXRF). Metal alloys were obtained as a result of electrochemical co-deposition of copper, cadmium and lead from n x 10 -4 M (Cu, Cd, Pb)(NO 3 ) 2 + 0.01 M HNO 3 solutions under mixing. TXRF measurements were performed with an ATOMIKA EXTRA II A spectrometer using Mo K α and W (Brems) primary excitation. The serious advantage of TXRF as a method of near-surface analysis is very high element sensitivity. Apart from main elements (Cu, Cd, Pb) we have detected trace elements (Cl, Ag, Pt, Hg) which are present in working solution and has an effect to the electrodeposit formation. The comparison of TXRF data with information obtained by X-ray photoelectron spectroscopy and electron-probe x-ray microanalysis permits to realize depth profiling electrochemical alloys. In particular it was found that in binary systems Cu-Pb and Cu-Cd the relative lead and cadmium content on the electrodeposit surface is considerably greater than in the bulk. These phenomena are due to the features of metal nucleation and growth mechanisms. High sensitivity of TXRF to surface morphology and the correlation of TXRF and scanning electron microscopy data allow to determine the area of prevailing location of metal in the heterogeneous alloy surface. So we have established that in Cu-Pb and Cu-Cd-Pb systems solid solution of copper and lead is formed: significant part of lead is deposited not only in specific 3D-clusters but also in copper thin film. It was demonstrated that the near-surface TXRF analysis of metal electrodeposits on solid electrodes is highly effective to study the mechanisms of metal nucleation, metal cluster and thin film
Photodetachment of negative ion in a gradient electric field near a metal surface

International Nuclear Information System (INIS)

Liu Tian-Qi; Wang De-Hua; Han Cai; Liu Jiang; Liang Dong-Qi; Xie Si-Cheng

2012-01-01

Based on closed-orbit theory, the photodetachment of H − in a gradient electric field near a metal surface is studied. It is demonstrated that the gradient electric field has a significant influence on the photodetachment of negative ions near a metal surface. With the increase of the gradient of the electric field, the oscillation in the photodetachment cross section becomes strengthened. Besides, in contrast to the photodetachment of H − near a metal surface in a uniform electric field, the oscillating amplitude and the oscillating region in the cross section of a gradient electric field also become enlarged. Therefore, we can use the gradient electric field to control the photodetachment of negative ions near a metal surface. We hope that our results will be useful for understanding the photodetachment of negative ions in the vicinity of surfaces, cavities, and ion traps. (atomic and molecular physics)
THE ROLE OF METAL ION ON PHYSIOCHEMICAL PROPERTIES OF METAL ALUMINATES PREPARED BY IMPREGNATION METHOD

Directory of Open Access Journals (Sweden)

S. Komeili

2017-03-01

Full Text Available A series of MAl2O4 (M=Ni, Zn, and Cu aluminates were prepared by using impregnation method; the metal content of the products was ranged between 5wt% to 25wt%. The samples were characterized by x-ray diffraction (XRD, Brunauer Emmett Teller (BET surface area, NH3 temperature-programmed desorption (NH3-TPD, and inductively coupled argon plasma (ICP. The specific surface areas of zinc, nickel and copper aluminates were in the ranges of 47-77m2/g, 63-87m2/g and 1.6-3m2/g, respectively. The surface acidity decreased in the order of CuAl2O4<< NiAl2O4< ZnAl2O4<< Al2O3. By increasing the amount of metals in the samples, the number of acidic sites decreased, but their strength did not significantly change. Ni-aluminates have fewer acidic sites than Zn-aluminates, particularly in strong acid sites
Superhydrophobic Zr-based metallic glass surface with high adhesive force

Science.gov (United States)

Li, Ning; Xia, Ting; Heng, Liping; Liu, Lin

2013-06-01

Micro/nano hierarchical structures were constructed on Zr35Ti30Be26.75Cu8.25 metallic glass surface by silicon moulding and subsequently chemical etching. The as-formed surface exhibited both superhydrophobicity and high adhesive force towards water. The superhydrophobicity is rationalized based on the modified Cassie-Baxter model [A. B. D. Cassie and S. Baxter, Trans. Faraday Soc. 40, 546 (1944)]. The origin of the robust adhesion is described in terms of intermolecular capillary forces. The present results not only provide a method to fabricate superhydrophobic metallic glasses surface but also explore an important industrial application as dry adhesives and transport of liquid microdroplets.
High Density Periodic Metal Nanopyramids for Surface Enhanced Raman Spectroscopy

NARCIS (Netherlands)

Jin, Mingliang

2012-01-01

The work presented in this thesis is focused on two areas. First, a new type of nanotextured noble-metal surface has been developed. The new nanotextured surface is demonstrated to enhance inelastic (Raman) scattering, called surface enhanced Raman scattering (SERS), from molecules adsorbed on the
Final Technical Report: Metal—Organic Surface Catalyst for Low-temperature Methane Oxidation: Bi-functional Union of Metal—Organic Complex and Chemically Complementary Surface

Energy Technology Data Exchange (ETDEWEB)

Tait, Steven L. [Indiana Univ., Bloomington, IN (United States)

2016-10-01

Stabilization and chemical control of transition metal centers is a critical problem in the advancement of heterogeneous catalysts to next-generation catalysts that exhibit high levels of selectivity, while maintaining strong activity and facile catalyst recycling. Supported metal nanoparticle catalysts typically suffer from having a wide range of metal sites with different coordination numbers and varying chemistry. This project is exploring new possibilities in catalysis by combining features of homogeneous catalysts with those of heterogeneous catalysts to develop new, bi-functional systems. The systems are more complex than traditional heterogeneous catalysts in that they utilize sequential active sites to accomplish the desired overall reaction. The interaction of metal—organic catalysts with surface supports and their interactions with reactants to enable the catalysis of critical reactions at lower temperatures are at the focus of this study. Our work targets key fundamental chemistry problems. How do the metal—organic complexes interact with the surface? Can those metal center sites be tuned for selectivity and activity as they are in the homogeneous system by ligand design? What steps are necessary to enable a cooperative chemistry to occur and open opportunities for bi-functional catalyst systems? Study of these systems will develop the concept of bringing together the advantages of heterogeneous catalysis with those of homogeneous catalysis, and take this a step further by pursuing the objective of a bi-functional system. The use of metal-organic complexes in surface catalysts is therefore of interest to create well-defined and highly regular single-site centers. While these are not likely to be stable in the high temperature environments (> 300 °C) typical of industrial heterogeneous catalysts, they could be applied in moderate temperature reactions (100-300 °C), made feasible by lowering reaction temperatures by better catalyst control. They also
Heavy metal concentration of settled surface dust in residential building

International Nuclear Information System (INIS)

Nor Aimi abdul Wahab; Fairus Muhamad Darus; Norain Isa; Siti Mariam Sumari; Nur Fatihah Muhamad Hanafi

2012-01-01

The concentrations of heavy metals (Cu, Ni, Pb and Zn) in settled surface dust were collected from nine residential buildings in different areas in Seberang Prai Tengah District, Pulau Pinang. The samples of settled surface dust were collected in 1 m 2 area by using a polyethylene brush and placed in the dust pan by sweeping the living room floor most accessible to the occupants. Heavy metals concentrations were determined by using inductively coupled plasma optical emission spectrometer (ICP-OES) after digestion with nitric acid and sulphuric acid. The results show that the range of heavy metals observed in residential buildings at Seberang Prai Tengah were in the range of 2.20-14.00 mg/ kg, 1.50-32.70 mg/ kg, 1.50-76.80 mg/ kg and 14.60-54.40 mg/ kg for Cu, Ni, Pb and Zn respectively. The heavy metal concentration in the investigated areas followed the order: Pb > Zn > Ni > Cu. Statistical analysis indicates significant correlation between all the possible pairs of heavy metal. The results suggest a likely common source for the heavy metal contamination, which could be traced most probably to vehicular emissions, street dust and other related activities. (author)
Conversion of tritiated hydrogen to tritiated water on heated metal surfaces

International Nuclear Information System (INIS)

Dickson, R.S.

1993-05-01

The conversion of tritium to tritiated water on metal surfaces was studied under conditions relevant to releases into a fusion reactor hall (metal temperatures between 473 K and 623 K, air or inert gas atmospheres). The rate constant of oxidation per unit geometric surface area was found to be about a factor of ten higher than the rate constant per unit gas adsorption surface area for H 2 to H 2 O conversion on metal oxides in excess oxygen, probably because of the roughness of the metal surfaces on a gas adsorption scale. Surface roughness and oxides were found to have a major influence on the reaction rate. The reaction exhibited a first-order dependence on Q 2 concentration. Changing the dew point of the atmosphere did not affect the rate significantly, and rate constants for most metals were independent of whether the atmosphere was argon or air. Coatings of hydrocarbon and silicone polymers did not significantly affect the reaction rate on carbon steel and ferrous metals and brass all had about the same conversion rate constant. Aluminum alloy gave about three times lower and copper in Ar gave ten times higher conversion rate constants. Based on these data, an accident scenario involving exposure of 1000 m 2 of stainless steel at 573 K to a 10 4 m 3 room would cause conversion of ca. 0.1% of the Q 2 present to Q 2 O in 24 hours, while air ingress to the torus without leakage of the tritium into the room would cause 1.2% conversion in that time. The rate values are only accurate within a multiplicative factor of three, so they should be applied cautiously in model calculations. (author). 27 refs., 4 tabs., 4 figs
Surface half-metallicity and stability of zinc-blende sodium monoselenide

International Nuclear Information System (INIS)

Tabatabaeifar, A.; Davatolhagh, S.; Moradi, M.

2017-01-01

Highlights: • Density functional study reveals. • Robust half-metallicity of zinc-blende NaSe (001) surfaces. • Stable against phase separation as indicated by negative formation energy. • Magnetically stable at room temperature because of high Curie temperature. • Surfaces are stable as indicated by low surface energies. • Therefore, zinc-blende NaSe promising candidate as spin injection material. - Abstract: The electronic structure and magnetic properties of relaxed (001) surfaces of the sp-electron half-metallic ferromagnet NaSe in the zinc-blende phase, are calculated on the basis of first principle density functional theory within the framework of self-consistent field plane wave pseudo-potential method, using the generalized gradient approximation for the exchange-correlation functional. The results of this study reveal that both Na- and Se-terminated surfaces retain the robust bulk half-metallic property. The negative value found for the bulk formation energy indicates that this material is stable against phase separation. We also obtain the surface energies and discuss their stability via the calculated bulk formation energy. The Curie temperature is estimated to be 920 K within mean field approximation, which is well above the room temperature. In the light of the above, zinc-blende NaSe appears to be a good candidate for spintronic applications as spin injection material.

Spectral and physical properties of metal in meteorite assemblages - implications of asteroid surface materials

International Nuclear Information System (INIS)

Gaffey, M.J.

1986-01-01

One of the objectives of the present paper is related to a definition of the spectral contribution of the nickel-iron metal component in meteoritic assemblages. Another objective is the elucidation of the chemical, physical, and petrographic properties of the metal grains which affect the spectral signature in asteroid surface materials. It is pointed out that an improved understanding of the spectral and physical properties of metal in asteroid regoliths should permit an improved characterization of these objects, and, in particular, a better evaluation of the differentiated or undifferentiated nature of the S-type and M-type asteroids. Attention is given to the spectra of iron and nickel-iron metals, the spectral effects of metal in chondritic assemblages, the spectral reflectance of metal grains in ordinary chondrites, the nature of the surfaces of chondritic metal grains, the origin of coats on chondritic metal grains, and the fragmentation of metal on asteroid surfaces. 57 references
Effect of metallic and hyperbolic metamaterial surface on electric and magnetic dipole emission

DEFF Research Database (Denmark)

Ni, Xingjie; Naik, Gururaj V.; Kildishev, Alexander V.

2010-01-01

Spontaneous emission patterns of electric and magnetic dipoles on different material surfaces were studied numerically and experimentally. The results show the modified behavior of electric and magnetic dipoles on metallic and HMM surfaces.......Spontaneous emission patterns of electric and magnetic dipoles on different material surfaces were studied numerically and experimentally. The results show the modified behavior of electric and magnetic dipoles on metallic and HMM surfaces....
Effects of halogens on interactions between a reduced TiO{sub 2} (110) surface and noble metal atoms: A DFT study

Energy Technology Data Exchange (ETDEWEB)

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

2017-07-31

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

Science.gov (United States)

Lindquist, Nathan; Oh, Sang-Hyun; Otto, Lauren

2012-02-01

The field of plasmonics aims to manipulate light over dimensions smaller than the optical wavelength by exploiting surface plasmon resonances in metallic films. Typically, surface plasmons are excited by illuminating metallic nanostructures. For meaningful research in this exciting area, the fabrication of high-quality nanostructures is critical, and in an undergraduate setting, low-cost methods are desirable. Careful optical characterization of the metallic nanostructures is also required. Here, we present the use of novel, inexpensive nanofabrication techniques and the development of a customized surface plasmon microscopy setup for interdisciplinary undergraduate experiments in biosensing, surface-enhanced Raman spectroscopy, and surface plasmon imaging. A Bethel undergraduate student performs the nanofabrication in collaboration with the University of Minnesota. The rewards of mentoring undergraduate students in cooperation with a large research university are numerous, exposing them to a wide variety of opportunities. This research also interacts with upper-level, open-ended laboratory projects, summer research, a semester-long senior research experience, and will enable a large range of experiments into the future.
Metal-insulator-metal diodes with sub-nanometre surface roughness for energy-harvesting applications

KAUST Repository

Khan, A.A.; Jayaswal, Gaurav; Gahaffar, F.A.; Shamim, Atif

2017-01-01

For ambient radio-frequency (RF) energy harvesting, the available power levels are quite low, and it is highly desirable that the rectifying diodes do not consume any power at all. Contrary to semiconducting diodes, a tunnelling diode – also known as a metal-insulator-metal (MIM) diode – can provide zero-bias rectification, provided the two metals have different work functions. This could result in a complete passive rectenna system. Despite great potential, MIM diodes have not been investigated much in the GHz-frequency regime due to challenging nano-fabrication requirements. In this work, we investigate zero-bias MIM diodes for RF energy-harvesting applications. We studied the surface roughness issue for the bottom metal of the MIM diode for various deposition techniques such as sputtering, atomic layer deposition (ALD) and electron-beam (e-beam) evaporation for crystalline metals as well as for an amorphous alloy, namely ZrCuAlNi. A surface roughness of sub-1nm has been achieved for both the crystalline metals as well as the amorphous alloy, which is vital for the reliable operation of the MIM diode. An MIM diode comprising of a Ti-ZnO-Pt combination yields a zero-bias responsivity of 0.25V−1 and a dynamic resistance of 1200Ω. Complete RF characterisation has been performed by integrating the MIM diode with a coplanar waveguide transmission line. The input impedance varies from 100Ω to 50Ω in the frequency range of between 2GHz and 10GHz, which can be easily matched to typical antenna impedances in this frequency range. Finally, a rectified DC voltage of 4.7mV is obtained for an incoming RF power of 0.4W at zero bias. These preliminary results of zero-bias rectification indicate that complete, passive rectennas (a rectifier and antenna combination) are feasible with further optimisation of MIM devices.
Metal-insulator-metal diodes with sub-nanometre surface roughness for energy-harvesting applications

KAUST Repository

Khan, A.A.

2017-07-27

For ambient radio-frequency (RF) energy harvesting, the available power levels are quite low, and it is highly desirable that the rectifying diodes do not consume any power at all. Contrary to semiconducting diodes, a tunnelling diode – also known as a metal-insulator-metal (MIM) diode – can provide zero-bias rectification, provided the two metals have different work functions. This could result in a complete passive rectenna system. Despite great potential, MIM diodes have not been investigated much in the GHz-frequency regime due to challenging nano-fabrication requirements. In this work, we investigate zero-bias MIM diodes for RF energy-harvesting applications. We studied the surface roughness issue for the bottom metal of the MIM diode for various deposition techniques such as sputtering, atomic layer deposition (ALD) and electron-beam (e-beam) evaporation for crystalline metals as well as for an amorphous alloy, namely ZrCuAlNi. A surface roughness of sub-1nm has been achieved for both the crystalline metals as well as the amorphous alloy, which is vital for the reliable operation of the MIM diode. An MIM diode comprising of a Ti-ZnO-Pt combination yields a zero-bias responsivity of 0.25V−1 and a dynamic resistance of 1200Ω. Complete RF characterisation has been performed by integrating the MIM diode with a coplanar waveguide transmission line. The input impedance varies from 100Ω to 50Ω in the frequency range of between 2GHz and 10GHz, which can be easily matched to typical antenna impedances in this frequency range. Finally, a rectified DC voltage of 4.7mV is obtained for an incoming RF power of 0.4W at zero bias. These preliminary results of zero-bias rectification indicate that complete, passive rectennas (a rectifier and antenna combination) are feasible with further optimisation of MIM devices.
Nanotubular surface modification of metallic implants via electrochemical anodization technique.

Science.gov (United States)

Wang, Lu-Ning; Jin, Ming; Zheng, Yudong; Guan, Yueping; Lu, Xin; Luo, Jing-Li

2014-01-01

Due to increased awareness and interest in the biomedical implant field as a result of an aging population, research in the field of implantable devices has grown rapidly in the last few decades. Among the biomedical implants, metallic implant materials have been widely used to replace disordered bony tissues in orthopedic and orthodontic surgeries. The clinical success of implants is closely related to their early osseointegration (ie, the direct structural and functional connection between living bone and the surface of a load-bearing artificial implant), which relies heavily on the surface condition of the implant. Electrochemical techniques for modifying biomedical implants are relatively simple, cost-effective, and appropriate for implants with complex shapes. Recently, metal oxide nanotubular arrays via electrochemical anodization have become an attractive technique to build up on metallic implants to enhance the biocompatibility and bioactivity. This article will thoroughly review the relevance of electrochemical anodization techniques for the modification of metallic implant surfaces in nanoscale, and cover the electrochemical anodization techniques used in the development of the types of nanotubular/nanoporous modification achievable via electrochemical approaches, which hold tremendous potential for bio-implant applications. In vitro and in vivo studies using metallic oxide nanotubes are also presented, revealing the potential of nanotubes in biomedical applications. Finally, an outlook of future growth of research in metallic oxide nanotubular arrays is provided. This article will therefore provide researchers with an in-depth understanding of electrochemical anodization modification and provide guidance regarding the design and tuning of new materials to achieve a desired performance and reliable biocompatibility.
Nanostructure formation on refractory metal surfaces irradiated by helium plasmas

International Nuclear Information System (INIS)

Takamura, Shuichi; Kajita, Shin; Ohno, Noriyasu

2013-01-01

Helium defects on plasma-facing refractory metals like tungsten have been studied in fusion sciences from the view point of the effects on metal surface properties, concentrating on the bubble formation. However, the surface morphology over the lower surface temperature range was found recently to be changed drastically, something like cotton down or arborescence, sometimes called as “fuzz”. The formation process, although still open problem, would be discussed in terms of viscoelastic model with the effect of surface tension, taking account of its thermal properties and nano-bubbles inside the thin fibers. Some physical surface characteristics like electron emission, radiation emissivity and sputtering are quite influenced by its forest-like structure. Unipolar arcing has been newly studied by using such a surface structure which makes its initiation controllable. In the present report, other examples of nanostructure formation in a variety of particle incident conditions have been introduced as well as the possibility of its industrial applications to enhance interdisciplinary interests. (author)
Metals on graphene and carbon nanotube surfaces: From mobile atoms to atomtronics to bulk metals to clusters and catalysts

KAUST Repository

Sarkar, Santanu C.

2014-01-14

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

International Nuclear Information System (INIS)

Chen Deqi; Peng Cheng; Wang Qinghua; Pan Liangming

2014-01-01

In this paper, numerical simulation was carried out to investigate the explosive boiling phenomenon on high temperature surface also the influence of vapor growth rate during explosive boiling, vapor condensation in sub-cooled water and the subsequent effect on flowing and heat transfer. The simulation result indicates that the steam on the molten metal surface grows with very high speed, and it pushes away the sub-cooled water around and causes severe flowing. The steam clusters which block the sub-cooled water to rewet the molten metal surface are appearing at the same time. During the growth, lifting off as well as condensation of the steam clusters, the sub-cooled water around is strongly disturbed, and obvious vortexes appear. Conversely, the vortex will influence the steam cluster detachment and cub-cooled water rewetting the metal surface. This simulation visually displays the complex explosive boiling phenomena on the molten metal surface with high temperature. (authors)
Direct instrumental identification of catalytically active surface sites

Science.gov (United States)

Pfisterer, Jonas H. K.; Liang, Yunchang; Schneider, Oliver; Bandarenka, Aliaksandr S.

2017-09-01

The activity of heterogeneous catalysts—which are involved in some 80 per cent of processes in the chemical and energy industries—is determined by the electronic structure of specific surface sites that offer optimal binding of reaction intermediates. Directly identifying and monitoring these sites during a reaction should therefore provide insight that might aid the targeted development of heterogeneous catalysts and electrocatalysts (those that participate in electrochemical reactions) for practical applications. The invention of the scanning tunnelling microscope (STM) and the electrochemical STM promised to deliver such imaging capabilities, and both have indeed contributed greatly to our atomistic understanding of heterogeneous catalysis. But although the STM has been used to probe and initiate surface reactions, and has even enabled local measurements of reactivity in some systems, it is not generally thought to be suited to the direct identification of catalytically active surface sites under reaction conditions. Here we demonstrate, however, that common STMs can readily map the catalytic activity of surfaces with high spatial resolution: we show that by monitoring relative changes in the tunnelling current noise, active sites can be distinguished in an almost quantitative fashion according to their ability to catalyse the hydrogen-evolution reaction or the oxygen-reduction reaction. These data allow us to evaluate directly the importance and relative contribution to overall catalyst activity of different defects and sites at the boundaries between two materials. With its ability to deliver such information and its ready applicability to different systems, we anticipate that our method will aid the rational design of heterogeneous catalysts.
Internal and surface phenomena in metal combustion

Science.gov (United States)

Dreizin, Edward L.; Molodetsky, Irina E.; Law, Chung K.

1995-01-01

Combustion of metals has been widely studied in the past, primarily because of their high oxidation enthalpies. A general understanding of metal combustion has been developed based on the recognition of the existence of both vapor-phase and surface reactions and involvement of the reaction products in the ensuing heterogeneous combustion. However, distinct features often observed in metal particle combustion, such as brightness oscillations and jumps (spearpoints), disruptive burning, and non-symmetric flames are not currently understood. Recent metal combustion experiments using uniform high-temperature metal droplets produced by a novel micro-arc technique have indicated that oxygen dissolves in the interior of burning particles of certain metals and that the subsequent transformations of the metal-oxygen solutions into stoichiometric oxides are accompanied with sufficient heat release to cause observed brightness and temperature jumps. Similar oxygen dissolution has been observed in recent experiments on bulk iron combustion but has not been associated with such dramatic effects. This research addresses heterogeneous metal droplet combustion, specifically focusing on oxygen penetration into the burning metal droplets, and its influence on the metal combustion rate, temperature history, and disruptive burning. A unique feature of the experimental approach is the combination of the microgravity environment with a novel micro-arc Generator of Monodispersed Metal Droplets (GEMMED), ensuring repeatable formation and ignition of uniform metal droplets with controllable initial temperature and velocity. The droplet initial temperatures can be adjusted within a wide range from just above the metal melting point, which provides means to ignite droplets instantly upon entering an oxygen containing environment. Initial droplet velocity will be set equal to zero allowing one to organize metal combustion microgravity experiments in a fashion similar to usual microgravity
Transfer of metallic debris from the metal surface of an acetabular cup to artificial femoral heads by scraping: comparison between alumina and cobalt-chrome heads.

Science.gov (United States)

Chang, Chong Bum; Yoo, Jeong Joon; Song, Won Seok; Kim, Deug Joong; Koo, Kyung-Hoi; Kim, Hee Joong

2008-04-01

We aimed to investigate the transfer of metal to both ceramic (alumina) and metal (cobalt-chrome) heads that were scraped by a titanium alloy surface under different load conditions. The ceramic and metal heads for total hip arthroplasties were scraped by an acetabular metal shell under various loads using a creep tester. Microstructural changes in the scraped area were visualized with a scanning electron microscope, and chemical element changes were assessed using an energy dispersive X-ray spectrometry. Changes in the roughness of the scraped surface were evaluated by a three-dimensional surface profiling system. Metal transfer to the ceramic and metal heads began to be detectable at a 10 kg load, which could be exerted by one-handed force. The surface roughness values significantly increased with increasing test loads in both heads. When the contact force increased, scratching of the head surface occurred in addition to the transfer of metal. The results documented that metallic debris was transferred from the titanium alloy acetabular shell to both ceramic and metal heads by minor scraping. This study suggests that the greatest possible effort should be made to protect femoral heads, regardless of material, from contact with metallic surfaces during total hip arthroplasty.
Demonstrating electromagnetic control of free-surface, liquid-metal flows relevant to fusion reactors

Science.gov (United States)

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

2018-01-01

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

DEFF Research Database (Denmark)

Aldén, Magnus; Skriver, Hans Lomholt; Abrikosov, I. A.

1995-01-01

The unique property of the open 4f energy shell in the lanthanide metals is used to show that the initial-state energy shift gives an insufficient description of surface core-level shifts. Instead a treatment, which fully includes the final-state screening, account for the experimentally observed...
Surface cleaning of metal wire by atmospheric pressure plasma

International Nuclear Information System (INIS)

Nakamura, T.; Buttapeng, C.; Furuya, S.; Harada, N.

2009-01-01

In this study, the possible application of atmospheric pressure dielectric barrier discharge plasma for the annealing of metallic wire is examined and presented. The main purpose of the current study is to examine the surface cleaning effect for a cylindrical object by atmospheric pressure plasma. The experimental setup consists of a gas tank, plasma reactor, and power supply with control panel. The gas assists in the generation of plasma. Copper wire was used as an experimental cylindrical object. This copper wire was irradiated with the plasma, and the cleaning effect was confirmed. The result showed that it is possible to remove the tarnish which exists on the copper wire surface. The experiment reveals that atmospheric pressure plasma is usable for the surface cleaning of metal wire. However, it is necessary to examine the method for preventing oxidization of the copper wire.
The passivation of uranium metal surfaces by nitrogen bombardment - the formation of uranium nitride

International Nuclear Information System (INIS)

Allen, G.C.; Holmes, N.R.

1987-08-01

As part of a detailed investigation of the behaviour of metallic uranium in various atmospheres, we have examined the reaction between nitrogen gas and uranium metal. At room temperature there was no evidence of reaction between nitrogen gas and a clean metal surface; the only changes observed could be attributed to reaction between the metal and traces of oxygen (less than 0.1 ppm) in the nitrogen gas. Reaction between the metal and nitrogen was induced however by accelerating nitrogen towards the surface using a fast atom gun. The resulting nitrided surface was characterised by X-ray photoelectron spectroscopy, and its oxidation behaviour was monitored over an extended period in UHV and in air. (author)
The passivation of uranium metal surfaces by nitrogen bombardment - the formation of uranium nitride

International Nuclear Information System (INIS)

Allen, G.C.; Holmes, N.R.

1988-01-01

As part of a detailed investigation of the behaviour of metallic uranium in various atmospheres, we have examined the reaction between nitrogen gas and uranium metal. At room temperature there was no evidence of reaction between nitrogen gas and a clean metal surface; the only changes observed could be attributed to reaction between the metal and traces of oxygen (less than 0.1 ppm) in the nitrogen gas. Reaction between the metal and nitrogen was induced, however, by accelerating nitrogen towards the surface using a fast atom gun. The resulting nitrided surface was characterized by X-ray photoelectron spectroscopy, and its oxidation behaviour was monitored over an extended period in UHV and in air. (orig.)
Influence of carbon monoxide to the surface layer of uranium metal and its oxides

International Nuclear Information System (INIS)

Wang Xiaoling; Fu Yibei; Xie Renshou; Huang Ruiliang

1996-09-01

The surface structures of uranium metal and triuranium octaoxide (U 3 O 8 ) and the influence of carbon monoxide to the surface layers have been studied by X-ray photoelectron spectroscopy (XPS). After exposure to carbon monoxide, contents of oxygen in the surface oxides of uranium metal and U 3 O 8 are decreased and O/U ratios decrease 7.2%, 8.0% respectively. The investigation indicated the surface layers of uranium metal and its oxides were forbidden to further oxidation in the atmosphere of carbon monoxide. (11 refs., 9 figs., 2 tabs.)
Voltammetric determination of metal impurities on semiconductor surface

International Nuclear Information System (INIS)

Knyazeva, E.P.; Mokrousov, G.M.; Volkova, V.N.

1995-01-01

A modification of voltamperometric method used for analysis of semiconductor surfaces which make it possible to exclude a contact between surface and background solution. This technique is based on solubility of elemental metal forms in low melting electroconductor systems (e.g., in mercury. The voltampere characteristics of amalgams formed are then studied. The suggested method is simple, rapid, and makes it possible to perform a nondestructive qualitative analysis of the sample surface area measuring about 10 -3 cm -2 and more. 4 refs.; 2 figs

Description of surface hydrology and near-surface hydrogeology at Forsmark. Site descriptive modelling SDM. Site Forsmark

International Nuclear Information System (INIS)

Johansson, Per-Olof

2008-12-01

This report describes the modelling of the surface hydrology and near-surface hydrogeology that was performed for the final site descriptive model of Forsmark produced in the site investigation stage, SDM-Site Forsmark. The comprehensive investigation and monitoring programme forms a strong basis for the developed conceptual and descriptive model of the hydrological and near-surface hydrological system of the site investigation area. However, there are some remaining uncertainties regarding the interaction of deep and near-surface groundwater and surface water of importance for the understanding of the system: The groundwaters in till below Lake Eckarfjaerden, Lake Gaellbotraesket, Lake Fiskarfjaerden and Lake Bolundsfjaerden have high salinities. The hydrological and hydrochemical interpretations indicate that these waters are relict waters of mainly marine origin. From the perspective of the overall water balance, the water below the central parts of the lakes can be considered as stagnant. However, according to the hydrochemical interpretation, these waters also contain weak signatures of deep saline water. Rough chloride budget calculations for the Gaellbotraesket depression also raise the question of a possible upward flow of deep groundwater. No absolute conclusion can be drawn from the existing data analyses regarding the key question of whether there is a small ongoing upward flow of deep saline water. However, Lake Bolundsfjaerden is an exception where the clear downward flow gradient from the till to the bedrock excludes the possibility of an active deep saline source. The available data indicate that there are no discharge areas for flow systems involving deep bedrock groundwater in the northern part of the tectonic lens, where the repository is planned to be located (the so-called 'target area'). However, it can not be excluded that such discharge areas exist. Data indicate that the prevailing downward vertical flow gradients from the QD to the bedrock
Description of surface hydrology and near-surface hydrogeology at Forsmark. Site descriptive modelling SDM. Site Forsmark

Energy Technology Data Exchange (ETDEWEB)

Johansson, Per-Olof (Artesia Grundvattenkonsult AB, Taeby (Sweden))

2008-12-15

This report describes the modelling of the surface hydrology and near-surface hydrogeology that was performed for the final site descriptive model of Forsmark produced in the site investigation stage, SDM-Site Forsmark. The comprehensive investigation and monitoring programme forms a strong basis for the developed conceptual and descriptive model of the hydrological and near-surface hydrological system of the site investigation area. However, there are some remaining uncertainties regarding the interaction of deep and near-surface groundwater and surface water of importance for the understanding of the system: The groundwaters in till below Lake Eckarfjaerden, Lake Gaellbotraesket, Lake Fiskarfjaerden and Lake Bolundsfjaerden have high salinities. The hydrological and hydrochemical interpretations indicate that these waters are relict waters of mainly marine origin. From the perspective of the overall water balance, the water below the central parts of the lakes can be considered as stagnant. However, according to the hydrochemical interpretation, these waters also contain weak signatures of deep saline water. Rough chloride budget calculations for the Gaellbotraesket depression also raise the question of a possible upward flow of deep groundwater. No absolute conclusion can be drawn from the existing data analyses regarding the key question of whether there is a small ongoing upward flow of deep saline water. However, Lake Bolundsfjaerden is an exception where the clear downward flow gradient from the till to the bedrock excludes the possibility of an active deep saline source. The available data indicate that there are no discharge areas for flow systems involving deep bedrock groundwater in the northern part of the tectonic lens, where the repository is planned to be located (the so-called 'target area'). However, it can not be excluded that such discharge areas exist. Data indicate that the prevailing downward vertical flow gradients from the QD to
Tritiated hydrogen conversion on heated metallic surfaces

International Nuclear Information System (INIS)

Ionita, G.; Mihaila, V.; Purghel, L.; Rebigan, F.

1995-01-01

This work reports investigations on tritiated hydrogen conversion to tritiated water on heated metallic surfaces. The HT conversion process has been revealed for copper, aluminium and stainless steel W4541 surfaces in the temperature range 150 to 300 o C, in case of the static regime and in the range 250 to 400 o C for the dynamic case. The most significant catalytic activity was shown by the copper sample. Studies on this subject are used as input information for different nuclear accident scenarios implying tritium leakage
Establishing Antibacterial Multilayer Films on the Surface of Direct Metal Laser Sintered Titanium Primed with Phase-Transited Lysozyme

Science.gov (United States)

Guan, Binbin; Wang, Haorong; Xu, Ruiqing; Zheng, Guoying; Yang, Jie; Liu, Zihao; Cao, Man; Wu, Mingyao; Song, Jinhua; Li, Neng; Li, Ting; Cai, Qing; Yang, Xiaoping; Li, Yanqiu; Zhang, Xu

2016-11-01

Direct metal laser sintering is a technology that allows the fabrication of titanium (Ti) implants with a functional gradation of porosity and surface roughness according to three-dimensional (3D) computer data. The surface roughness of direct metal laser sintered titanium (DMLS-Ti) implants may provide abundant binding sites for bacteria. Bacterial colonization and subsequent biofilm formation can cause unsatisfactory cell adhesion and implant-related infections. To prevent such infections, a novel phase-transited lysozyme (PTL) was utilized as an initial functional layer to simply and effectively prime DMLS-Ti surfaces for subsequent coating with antibacterial multilayers. The purpose of the present study was to establish a surface with dual biological functionality. The minocycline-loaded polyelectrolyte multilayers of hyaluronic acid (HA) and chitosan (CS) formed via a layer-by-layer (LbL) self-assembly technique on PTL-functionalized DMLS-Ti were designed to inhibit pathogenic microbial infections while allowing the DMLS-Ti itself and the modified coatings to retain acceptable biocompatibility. The experimental results indicate that the DMLS-Ti and the hydrogel treated surfaces can inhibit early bacterial adhesion while completely preserving osteoblast functions. This design is expected to gain considerable interest in the medical field and to have good potential for applications in multifunctional DMLS-Ti implants.
Establishing Antibacterial Multilayer Films on the Surface of Direct Metal Laser Sintered Titanium Primed with Phase-Transited Lysozyme.

Science.gov (United States)

Guan, Binbin; Wang, Haorong; Xu, Ruiqing; Zheng, Guoying; Yang, Jie; Liu, Zihao; Cao, Man; Wu, Mingyao; Song, Jinhua; Li, Neng; Li, Ting; Cai, Qing; Yang, Xiaoping; Li, Yanqiu; Zhang, Xu

2016-11-08

Direct metal laser sintering is a technology that allows the fabrication of titanium (Ti) implants with a functional gradation of porosity and surface roughness according to three-dimensional (3D) computer data. The surface roughness of direct metal laser sintered titanium (DMLS-Ti) implants may provide abundant binding sites for bacteria. Bacterial colonization and subsequent biofilm formation can cause unsatisfactory cell adhesion and implant-related infections. To prevent such infections, a novel phase-transited lysozyme (PTL) was utilized as an initial functional layer to simply and effectively prime DMLS-Ti surfaces for subsequent coating with antibacterial multilayers. The purpose of the present study was to establish a surface with dual biological functionality. The minocycline-loaded polyelectrolyte multilayers of hyaluronic acid (HA) and chitosan (CS) formed via a layer-by-layer (LbL) self-assembly technique on PTL-functionalized DMLS-Ti were designed to inhibit pathogenic microbial infections while allowing the DMLS-Ti itself and the modified coatings to retain acceptable biocompatibility. The experimental results indicate that the DMLS-Ti and the hydrogel treated surfaces can inhibit early bacterial adhesion while completely preserving osteoblast functions. This design is expected to gain considerable interest in the medical field and to have good potential for applications in multifunctional DMLS-Ti implants.
RIKEN 200 kV high current implanter for metal surface modification

International Nuclear Information System (INIS)

Iwaki, M.; Yoshida, K.; Sakudo, N.

1985-01-01

A high current, metal ion implanter was constructed in order to aid the formation of a new metastable surface alloy. This implanter, called a RIKEN 200 kV high current implanter, is a modified Lintott high current machine (Series III), which has the advantages of having its own microwave ion source and an extra target chamber. The microwave discharge ion source without a hot-filament has a comparatively long lifetime because the chloride ions and radicals in a plasma during discharge of metal chlorides might prevent metal to deposit on the inner walls of the discharge chamber by bombarding and chemically cleaning them. An extra target chamber for metal modification is able to control the surface composition by utilizing the sputtering effect of the ion beam during ion implantation. The use of this ion source and the extra target chamber is suggested to be suitable for the production of metallic ions and for the implantation into metals. The case study will be introduced for TI implantation into Fe. (orig.)
Guiding spoof surface plasmon polaritons by infinitely thin grooved metal strip

Directory of Open Access Journals (Sweden)

Xiang Wan

2014-04-01

Full Text Available In this paper, the propagation characteristics of spoof surface plasmon polaritons (SPPs on infinitely thin corrugated metal strips are theoretically analyzed. Compared with the situations of infinitely thick lateral thickness, the infinitely thin lateral thickness leads to lower plasma frequency according to the analyses. The propagation lengths and the binding capacity of the spoof SPPs are evaluated based on the derived dispersion equation. The effects of different lateral thicknesses are also investigated. At the end, a surface wave splitter is presented using infinitely thin corrugated metal strip. Other functional planar or flexible devices can also be designed using these metal strips in microwave or terahertz regimes.
Helium atmospheric pressure plasma jets touching dielectric and metal surfaces

Science.gov (United States)

Norberg, Seth A.; Johnsen, Eric; Kushner, Mark J.

2015-07-01

Atmospheric pressure plasma jets (APPJs) are being investigated in the context plasma medicine and biotechnology applications, and surface functionalization. The composition of the surface being treated ranges from plastics, liquids, and biological tissue, to metals. The dielectric constant of these materials ranges from as low as 1.5 for plastics to near 80 for liquids, and essentially infinite for metals. The electrical properties of the surface are not independent variables as the permittivity of the material being treated has an effect on the dynamics of the incident APPJ. In this paper, results are discussed from a computational investigation of the interaction of an APPJ incident onto materials of varying permittivity, and their impact on the discharge dynamics of the plasma jet. The computer model used in this investigation solves Poisson's equation, transport equations for charged and neutral species, the electron energy equation, and the Navier-Stokes equations for the neutral gas flow. The APPJ is sustained in He/O2 = 99.8/0.2 flowing into humid air, and is directed onto dielectric surfaces in contact with ground with dielectric constants ranging from 2 to 80, and a grounded metal surface. Low values of relative permittivity encourage propagation of the electric field into the treated material and formation and propagation of a surface ionization wave. High values of relative permittivity promote the restrike of the ionization wave and the formation of a conduction channel between the plasma discharge and the treated surface. The distribution of space charge surrounding the APPJ is discussed.
The interaction of H2O with strained uranium metal surfaces

International Nuclear Information System (INIS)

Tiferet, E.; Mintz, M. H.; Zalkind, S.; Jacob, I.; Shamir, N.

2014-01-01

The interaction of water vapor was studied on uranium metal surfaces, with various degrees of strain (relieved by different degrees of heating). The main features of dissociation, adsorption and initial oxidation for the studied surfaces will be presented. Common to all strained surfaces, on the metal surface a full dissociation occurs, while after oxidation only on most of them the water dissociation is full and on one of them, it is only partial. The oxygen dissociation product adsorbs (with sticking coefficient decreasing with strain relief), forming clusters, for all strains, while the hydrogen product clusters only on the strain relieved and recrystallized surface. The most interesting phenomenon, revealed for these surfaces, is the inhibition of hydrogen adsorption by traces of water vapor , changing from 10% for the mostly strained (defected) surface down to 1% for the strain relieved one. The suggested mechanism for this inhibition will be discussed
The application of passive sampler (DGT technology for improved understanding of metal behaviour at a marine disposal site

Directory of Open Access Journals (Sweden)

Parker R.

2013-04-01

Full Text Available Metal behaviour and availability at a contaminated dredge material disposal site within UK waters has been investigated using Diffusive Gradient in Thin films (DGT passive sampling technology. Three stations representing contrasting history and presence of maintenance dredge disposal, including a control station outside the disposal site, have been studied and depth profiles of fluxes of different metals (Fe, Mn, Pb, Cu, Cd, Cr, Ni, Zn to the binding gel (Chelex 100 have been derived. Higher flux rates and shallower mobilisation of metals (Mn and Fe to the binding gel were observed at the disposal stations compared to the control station. Here we describe metal mobilization at different depths, linking the remobilization of Fe2+ and Mn2+ to the sediment (resupply of other heavy metals of interest with a focus on Cd, Ni and Pb and as they are on the Water Framework Directive (WFD list of priority substances and OSPAR list of priority pollutants. Results showed that Cd, Pb and Ni exhibited signs of resupply at the sediment-water interface (SWI. There was a potential increased mobilisation and source to the water column of Pb and Ni at the disposal site stations, but there was no Cd source, despite higher total loadings. This information has the potential to improve our current understanding of metal cycles at disposal sites. This work can be used as an indication of likely metal bioavailability and also assist in determining whether the sites act as sources or sinks of heavy metals. This information could assist disposal site monitoring and dredge material licensing.
Bioaccessibility of micron-sized powder particles of molybdenum metal, iron metal, molybdenum oxides and ferromolybdenum--Importance of surface oxides.

Science.gov (United States)

Mörsdorf, Alexander; Odnevall Wallinder, Inger; Hedberg, Yolanda

2015-08-01

The European chemical framework REACH requires that hazards and risks posed by chemicals, including alloys and metals, that are manufactured, imported or used in different products (substances or articles) are identified and proven safe for humans and the environment. Metals and alloys need hence to be investigated on their extent of released metals (bioaccessibility) in biologically relevant environments. Read-across from available studies may be used for similar materials. This study investigates the release of molybdenum and iron from powder particles of molybdenum metal (Mo), a ferromolybdenum alloy (FeMo), an iron metal powder (Fe), MoO2, and MoO3 in different synthetic body fluids of pH ranging from 1.5 to 7.4 and of different composition. Spectroscopic tools and cyclic voltammetry have been employed to characterize surface oxides, microscopy, light scattering and nitrogen absorption for particle characterization, and atomic absorption spectroscopy to quantify released amounts of metals. The release of molybdenum from the Mo powder generally increased with pH and was influenced by the fluid composition. The mixed iron and molybdenum surface oxide of the FeMo powder acted as a barrier both at acidic and weakly alkaline conditions. These findings underline the importance of the surface oxide characteristics for the bioaccessibility of metal alloys. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.
Surface-adaptable all-metal micro-four-point probe with unique configuration

Science.gov (United States)

Kim, J. K.; Choi, Y. S.; Lee, D. W.

2015-07-01

In this paper, we propose a surface-adaptable all-metal micro-four-point probe (μ4PP) with a unique configuration. The μ4PP consists of four independent metallic sub-cantilevers with sharp Cu tips, and an SU-8 body structure to support the sub-cantilevers. The tip height is approximately 15 μm, and the tips are fabricated by anisotropic wet-etching of silicon followed by Cu electroplating. Each metallic cantilever connected to the SU-8 body structure acts as a flexible spring, so that the conducting tip can make gentle, non-destructive contact with fragile surfaces. To enhance the adhesion between the metallic sub-cantilevers and the SU-8 body, mushroom-shaped Cu structures were fabricated using an under-baked and under-exposed photolithography process. Various μ4PPs were designed and fabricated to verify their diverse range of applications, and preliminary experiments were performed using these fabricated μ4PPs. The resultant flexibility and reliability were experimentally confirmed on several samples, such as a polymer cantilever, a graphene flake, and curved metallic surfaces. We also expect that the proposed μ4PP will be suitable for measuring the anisotropic characteristics of crystal materials or the Hall effect in semiconductors.
Numerical modelling of surface hydrology and near-surface hydrogeology at Forsmark. Site descriptive modelling SDM. Site Forsmark

Energy Technology Data Exchange (ETDEWEB)

Bosson, Emma (Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden)); Gustafsson, Lars-Goeran; Sassner, Mona (DHI Sverige AB, Stockholm (Sweden))

2008-09-15

SKB is currently performing site investigations at two potential sites for a final repository for spent nuclear fuel. This report presents results of water flow and solute transport modelling of the Forsmark site. The modelling reported in this document focused on the near-surface groundwater, i.e. groundwater in Quaternary deposits and shallow rock, and surface water systems, and was performed using the MIKE SHE tool. The most recent site data used in the modelling were delivered in the Forsmark 2.3 dataset, which had its 'data freeze' on March 31, 2007. The present modelling is performed in support of the final version of the Forsmark site description that is produced during the site investigation phase. In this work, the hydrological modelling system MIKE SHE has been used to describe near-surface groundwater flow and the contact between groundwater and surface water at the Forsmark site. The surface water system at Forsmark is described with the one-dimensional 'channel flow' modelling tool MIKE 11, which is fully and dynamically integrated with MIKE SHE. The MIKE SHE model was updated with data from the F2.3 data freeze. The main updates concerned the geological description of the saturated zone and the time series data on water levels and surface water discharges. The time series data used as input data and for calibration and validation was extended until the Forsmark 2.3 data freeze (March 31, 2007). The present work can be subdivided into the following four parts: 1. Update of the numerical flow model. 2. Sensitivity analysis and calibration of the model parameters. 3. Validation of the calibrated model, followed by evaluation and identification of discrepancies between measurements and model results. 4. Additional sensitivity analysis and calibration in order to resolve the problems identified in point three above. The main actions taken during the calibration can be summarised as follows: 1. The potential evapotranspiration was
Influence of refraction of p-polarized light on photoemission from metallic surface states

International Nuclear Information System (INIS)

Bagchi, A.; Barrera, R.G.

1979-01-01

The refraction of p-polarized light at a metal surface leads, under certain circumstances, to a large peak in the spatial distribution of the normal component of the electric field near the surface. The origin of this peak is explained both in terms of a classical correspondence and in terms of a theory based on the non-local dielectric response of the metal surface. The significance of the large magnitude and rapid variation of the surface electric field in exciting photoelectrons from surface states is discussed [pt
Design surface covers: an approach to long-term waste site stabilization

International Nuclear Information System (INIS)

Beedlow, P.A.; Cadwell, L.L.; McShane, M.C.

1983-02-01

The wide range of existing environmental conditions, potential contaminants and available cover materials at waste disposal sites necessitates site-specific designing of surface covers for effective long-term erosion resistance. This paper presents a systematic approach to designing surface covers for hazardous waste repositories that can be tailored to conditions at any site. The approach consists of three phases: (1) an assessment, during which the degree of required surface protection (erosion potential) is determined; (2) a preliminary design that integrates surface cover design with the need to minimize transport of contaminants; and (3) a final design, where the cost and effectiveness of the surface cover are determined. 1 figure
Laser decontamination and cleaning of metal surfaces: modelling and experimental studies

International Nuclear Information System (INIS)

Leontyev, A.

2011-01-01

Metal surface cleaning is highly required in different fields of modern industry. Nuclear industry seeks for new methods for oxidized surface decontamination, and thermonuclear installations require the cleaning of plasma facing components from tritium-containing deposited layer. The laser ablation is proposed as an effective and safe method for metal surface cleaning and decontamination. The important factor influencing the laser heating and ablation is the in-depth distribution of laser radiation. The model of light propagation in a scattering layer on a metal substrate is developed and applied to analyse the features of light distribution. To simulate the contaminated surfaces, the stainless steel AISI 304L was oxidized by laser and in a furnace. Radioactive contamination of the oxide layer was simulated by introducing europium and/or sodium. The decontamination factor of more than 300 was demonstrated with found optimal cleaning regime. The decreasing of the corrosion resistance was found after laser cleaning. The ablation thresholds of ITER-like surfaces were measured. The cleaning productivity of 0.07 m 2 /hour.W was found. For mirror surfaces, the damage thresholds were determined to avoid damage during laser cleaning. The possibility to restore reflectivity after thin carbon layer deposition was demonstrated. The perspectives of further development of laser cleaning are discussed. (author) [fr
Can standard sequential extraction determinations effectively define heavy metal species in superfund site soils?

Energy Technology Data Exchange (ETDEWEB)

Dahlin, Cheryl L.; Williamson, Connie A.; Collins, Wesley K.; Dahlin, David C.

2001-01-01

Speciation and distribution of heavy metals in soils controls the degree to which metals and their compounds are mobile, extractable, and plant-available. Consequently, speciation impacts the success of remediation efforts both by defining the relationship of the contaminants with their environment and by guiding development and evaluation of workable remediation strategies. The U.S. Department of Energy, Albany Research Center (Albany, OR), under a two-year interagency project with the U.S. Environmental Protection Agency (EPA), examined the suitability of sequential extraction as a definitive means to determine species of heavy metals in soil samples. Representative soil samples, contaminated with lead, arsenic, and/or chromium, were collected by EPA personnel from two Superfund sites, the National Lead Company site in Pedricktown, NJ, and the Roebling Steel, Inc., site in Florence, NJ. Data derived from Tessier=s standard three-stage sequential-extraction procedure were compared to data from a comprehensive characterization study that combined optical- and scanning-electron microscopy (with energy-dispersive x-ray and wavelength-dispersive x-ray analyses), x-ray diffraction, and chemical analyses. The results show that standard sequential-extraction procedures that were developed for characterizing species of contaminants in river sediments may be unsuitable for sole evaluation of contaminant species in industrial-site materials (particularly those that contain larger particles of the contaminants, encapsulated contaminants, and/or man-made materials such as slags, metals, and plastics). However, each sequential extraction or comprehensive characterization procedure has it=s own strengths and weaknesses. Findings of this study indicate that the use of both approaches, during the early stages of site studies, would be a best practice. The investigation also highlights the fact that an effective speciation study does not simply identify metal contaminants as
Are the Viking Lander sites representative of the surface of Mars?

Science.gov (United States)

Jakosky, B. M.; Christensen, P. R.

1986-01-01

Global remote sensing data of the Martian surface, collected by earth- and satellite-based instruments, are compared with data from the two Viking Landers to determine if the Lander data are representative of the Martian surface. The landing sites are boulder-strewn and feature abundant fine material and evidence of strong eolian forces. One site (VL-1) is in a plains-covered basin which is associated with volcanic activity; the VL-2 site is in the northern plains. Thermal IR, broadband albedo, color imaging and radar remote sensing has been carried out of the global Martian surface. The VL-1 data do not fit a general correlation observed between increases in 70-cm radar cross-sections and thermal inertia. A better fit is found with 12.5-cm cross sections, implying the presence of a thinner or discontinuous duricrust at the VL-1 site, compared to other higher-inertia regions. A thin dust layer is also present at the VL-2 site, based on the Lander reflectance data. The Lander sites are concluded to be among the three observed regions of anomalous reflectivity, which can be expected in low regions selected for the landings. Recommendations are furnished for landing sites of future surface probes in order to choose sites more typical of the global Martian surface.
Rational design of a conformation-switchable Ca2+- and Tb3+-binding protein without the use of multiple coupled metal-binding sites.

Science.gov (United States)

Li, Shunyi; Yang, Wei; Maniccia, Anna W; Barrow, Doyle; Tjong, Harianto; Zhou, Huan-Xiang; Yang, Jenny J

2008-10-01

Ca2+, as a messenger of signal transduction, regulates numerous target molecules via Ca2+-induced conformational changes. Investigation into the determinants for Ca2+-induced conformational change is often impeded by cooperativity between multiple metal-binding sites or protein oligomerization in naturally occurring proteins. To dissect the relative contributions of key determinants for Ca2+-dependent conformational changes, we report the design of a single-site Ca2+-binding protein (CD2.trigger) created by altering charged residues at an electrostatically sensitive location on the surface of the host protein rat Cluster of Differentiation 2 (CD2).CD2.trigger binds to Tb3+ and Ca2+ with dissociation constants of 0.3 +/- 0.1 and 90 +/- 25 microM, respectively. This protein is largely unfolded in the absence of metal ions at physiological pH, but Tb3+ or Ca2+ binding results in folding of the native-like conformation. Neutralization of the charged coordination residues, either by mutation or protonation, similarly induces folding of the protein. The control of a major conformational change by a single Ca2+ ion, achieved on a protein designed without reliance on sequence similarity to known Ca2+-dependent proteins and coupled metal-binding sites, represents an important step in the design of trigger proteins.
The surface chemistry of divalent metal carbonate minerals; a critical assessment of surface charge and potential data using the charge distribution multi-site ion complexation model

NARCIS (Netherlands)

Wolthers, M.; Charlet, L.; Van Cappellen, P.

2008-01-01

The Charge Distribution MUltiSite Ion Complexation or CD–MUSIC modeling approach is used to describe the chemical structure of carbonate mineralaqueous solution interfaces. The new model extends existing surface complexation models of carbonate minerals, by including atomic scale information on

A Liquid Metal Flume for Free Surface Magnetohydrodynamic Experiments

International Nuclear Information System (INIS)

Nornberg, M.D.; Ji, H.; Peterson, J.L.; Rhoads, J.R.

2008-01-01

We present an experiment designed to study magnetohydrodynamic effects in free-surface channel flow. The wide aspect ratio channel (the width to height ratio is about 15) is completely enclosed in an inert atmosphere to prevent oxidization of the liquid metal. A custom-designed pump reduces entrainment of oxygen, which was found to be a problem with standard centrifugal and gear pumps. Laser Doppler Velocimetry experiments characterize velocity profiles of the flow. Various flow constraints mitigate secondary circulation and end effects on the flow. Measurements of the wave propagation characteristics in the liquid metal demonstrate the surfactant effect of surface oxides and the damping of fluctuations by a cross-channel magnetic field
NON-POLLUTING METAL SURFACE FINISHING PRETREATMENT AND PRETREATMENT/CONVERSION COATING

Science.gov (United States)

Picklex, a proprietary formulation, is an alterantive to conventional metal surface pretreatments and is claimed not to produce waste or lower production or lower performance. A laboratory program was designed to evaluate Picklex in common, large scale, polluting surface finishin...
Friction stir processed Al - Metal oxide surface composites: Anodization and optical appearance

DEFF Research Database (Denmark)

Gudla, Visweswara Chakravarthy; Jensen, Flemming; Canulescu, Stela

2014-01-01

Multiple-pass friction stir processing (FSP) was employed to impregnate metal oxide (TiO2, Y2O3 and CeO2) particles into the surface of an Aluminium alloy. The surface composites were then anodized in a sulphuric acid electrolyte. The effect of anodizing parameters on the resulting optical...... dark to greyish white. This is attributed to the localized microstructural and morphological differences around the metal oxide particles incorporated into the anodic alumina matrix. The metal oxide particles in the FSP zone electrochemically shadowed the underlying Al matrix and modified the local...
Engineering the metal sensitive sites in Macrolampis sp2 firefly luciferase and use as a novel bioluminescent ratiometric biosensor for heavy metals.

Science.gov (United States)

Gabriel, Gabriele V M; Viviani, Vadim R

2016-12-01

Most luminescent biosensors for heavy metals are fluorescent and rely on intensity measurements, whereas a few are ratiometric and rely on spectral changes. Bioluminescent biosensors for heavy metals are less common. Firefly luciferases have been coupled to responsive promoters for mercury and arsenium, and used as light on biosensors. Firefly luciferase bioluminescence spectrum is naturally sensitive to heavy metal cations such as zinc and mercury and to pH. Although pH sensitivity of firefly luciferases was shown to be useful for ratiometric estimation of intracellular pH, its potential use for ratiometric estimation of heavy metals was never considered. Using the yellow-emitting Macrolampis sp2 firefly luciferase and site-directed mutagenesis, we show that the residues H310 and E354 constitute two critical sites for metal sensitivity that can be engineered to increase sensitivity to zinc, nickel, and mercury. A linear relationship between cation concentration and the ratio of bioluminescence intensities at 550 and 610 nm allowed, for the first time, the ratiometric estimation of heavy metals concentrations down to 0.10 mM, demonstrating the potential applicability of firefly luciferases as enzymatic and intracellular ratiometric metal biosensors.
Simulated BRDF based on measured surface topography of metal

Science.gov (United States)

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

2017-06-01

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

Energy Technology Data Exchange (ETDEWEB)

Tracy, Jared; Dauskardt, Reinhold; Bosco, Nick

2017-06-14

Delamination of encapsulant materials from PV cell surfaces often appears to originate at regions with metallization. Using a fracture mechanics based metrology, the adhesion of EVA encapsulant to screen printed silver metallization was evaluated. At room temperature, the fracture energy, Gc [J/m2], of the EVA/silver interface (952 J/m2) was ~70% lower than that of the EVA/AR coating (>2900 J/m2) and ~60% lower than that of the EVA to the surface of cell (2265 J/m2). After only 300 hours of damp heat aging, the adhesion energy of the silver interface dropped to and plateaued at ~50-60 J/m2, while that of the EVA/AR coating and EVA/cell remained mostly unchanged. Elemental surface analysis showed that the EVA separates from the silver in a purely adhesive manner, indicating that bonds at the interface were likely displaced in the presence of humidity and elevated temperature, and may explain the propensity for delamination to occur at metallized surfaces in the field.
Proceedings of the symposium on chemistry and physics of surface of metals and their oxides

Energy Technology Data Exchange (ETDEWEB)

1976-01-01

Topics covered include: structure of crystalline surfaces; thermodynamic, electrostatic, and physicochemical considerations on defect structure and metal to metal interfaces; physical properties of metal surfaces; stress corrosion cracking; corrosion; passivation; mass transfer across interfaces; electrodeposition; Auger electron spectroscopy; electron microscopy; and catalysis. (GHT)
Surface Properties of Titanium dioxide and its Structural Modifications by Reactions with Transition Metals

Science.gov (United States)

Halpegamage, Sandamali

Surfaces of metal oxides play a vital role in many technologically important applications. The surfaces of titanium dioxide, in particular, show quite promising properties that can be utilized in solid-state gas sensing and photocatalysis applications. In the first part of this dissertation we investigate these properties of TiO2 surfaces through a vigorous surface scientific approach. In the second part, we investigate the possibilities of modifying the TiO2 surfaces by depositing multi-component transition metal oxide monolayers so that the properties of bare TiO2 surface can be influenced in a beneficial way. For instance, via formation of new surface sites or cations that have different valance states, the chemisorption and catalytic properties can be modified. We use sophisticated experimental surface science techniques that are compatible with ultra-high vacuum technology for surface characterization. All the experimental results, except for the photocatalysis experiments, were compared to and verified by supporting DFT-based theoretical results produced by our theory collaborators. TiO2 based solid-state gas sensors have been used before for detecting trace amounts of explosives such as 2,4-dinitrololuene (DNT), a toxic decomposition product of the explosive 2,4,6-trinitrotoluene (TNT) that have very low vapor pressure. However, the adsorption, desorption and reaction mechanism were not well- understood. Here, we investigate 2,4-DNT adsorption on rutile-TiO2(110) surface in order to gain insight about these mechanisms in an atomistic level and we propose an efficient way of desorbing DNT from the surface through UV-light induced photoreactions. TiO2 exists in different polymorphs and the photocatalytic activity differs from one polymorph to another. Rutile and anatase are the most famous forms of TiO2 in photocatalysis and anatase is known to show higher activity than rutile. The photoactivity also varies depending on the surface orientation for the same
Isolation and dispersion of reduced metal particles using the surface dipole moment of F-terminated diamond electrodes

Energy Technology Data Exchange (ETDEWEB)

Miyamoto, M.; Tanaka, Y.; Furuta, M. [Department of Chemistry and Earth Sciences, School of Science, Yamaguchi University, 1677-1 Yoshida, Yamaguchi-shi, Yamaguchi 753-8512 (Japan); Kondo, T. [Department of Industrial Chemistry, Faculty of Engineering, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601 (Japan); Fujishima, A. [Kanagawa Advanced Science and Technology (KAST), 3-2-1, Sakato, Takastu-ku, Kawasaki-shi, Kanagawa 213-0012 (Japan); Honda, K. [Department of Chemistry and Earth Sciences, School of Science, Yamaguchi University, 1677-1 Yoshida, Yamaguchi-shi, Yamaguchi 753-8512 (Japan)], E-mail: khonda@yamaguchi-u.ac.jp

2009-04-30

Cu particles that have been reductively generated at the oxidized surface of a boron-doped diamond electrode (O-BDD) can be removed from the electrode's surface by the repulsive electrostatic force of the surface dipole moment during a potential cycle of a solution of Cu{sup 2+} ions. The objective of this study was to isolate various metal particles other than Cu by use of a fluorine-terminated BDD surface (F-BDD) with a stronger surface dipole moment than O-BDD, and to clarify the mechanism of the metal particles' separation from the electrode. During the potential cycle treatment of Cu{sup 2+} ions using F-BDD, the reionization of the reduced Cu could be suppressed in the presence of dissolved oxygen, and the Cu particles were separated from the electrode surface as CuO. A similar result was seen with O-BDD. The degree of separation of the Cu particles could be drastically enhanced by raising the upper potential limit in the potential cycle from +0.2 to +0.8 V. By setting the upper potential to a potential greater than the metal-metal oxide equilibrium line in the potential-pH equilibrium diagram of the Cu-water system (Pourbaix Diagram), oxidation of the reduced metal surface by reaction with dissolved oxygen could be accelerated and the surface of metal particles could be insulated. The Cu particles were forced from the BDD surface by the electrostatic repulsion from the surface dipole moment of F-BDD. Also, it turned out that the physical adsorption of chloride ions (Cl{sup -}) on the electrode surface intensified the electrostatic repulsive force between the F- or O-BDD surface and the metal particles, and thus increased the degree of the metal particles' separation. For Zn with a metal-metal oxide equilibrium potential of approximately -0.8 V at pH 7, complete separation of the Zn particles was achieved with F-BDD by setting the upper potential limit to +0.8 V (vs. Ag/AgCl), decreasing the Zn{sup 2+} concentration (1/10 that of Cu{sup 2
Site-Selection in Single-Molecule Junction for Highly Reproducible Molecular Electronics.

Science.gov (United States)

Kaneko, Satoshi; Murai, Daigo; Marqués-González, Santiago; Nakamura, Hisao; Komoto, Yuki; Fujii, Shintaro; Nishino, Tomoaki; Ikeda, Katsuyoshi; Tsukagoshi, Kazuhito; Kiguchi, Manabu

2016-02-03

Adsorption sites of molecules critically determine the electric/photonic properties and the stability of heterogeneous molecule-metal interfaces. Then, selectivity of adsorption site is essential for development of the fields including organic electronics, catalysis, and biology. However, due to current technical limitations, site-selectivity, i.e., precise determination of the molecular adsorption site, remains a major challenge because of difficulty in precise selection of meaningful one among the sites. We have succeeded the single site-selection at a single-molecule junction by performing newly developed hybrid technique: simultaneous characterization of surface enhanced Raman scattering (SERS) and current-voltage (I-V) measurements. The I-V response of 1,4-benzenedithiol junctions reveals the existence of three metastable states arising from different adsorption sites. Notably, correlated SERS measurements show selectivity toward one of the adsorption sites: "bridge sites". This site-selectivity represents an essential step toward the reliable integration of individual molecules on metallic surfaces. Furthermore, the hybrid spectro-electric technique reveals the dependence of the SERS intensity on the strength of the molecule-metal interaction, showing the interdependence between the optical and electronic properties in single-molecule junctions.
Surface Soil Pollution By Heavy Metals A Case Study Of Two Refuse Dumpsites In Akure Metropolis

Directory of Open Access Journals (Sweden)

Anietie Olayemi Victoria

2015-03-01

Full Text Available ABSTRACT Heavy metals can be harmful to the biota and human beings when present above certain tolerable levels in the ecosystem. This lead to the study of the accumulation contamination and pollution of these metals in soils of two refuse dumpsites within and outskirts of Akure Township capital city of Ondo State Nigeria. The dumpsites are where wastes such as industrial wastes automobile wastes municipal wastes agricultural wastes etc were dumped. At each site soil samples were collected randomly from nine different points of about 1m part at depth of about 0-30cm and analyzed for heavy metals and pH. The metals analyzed include Zn Fe Co Cu Ni As Ba Pb Cr and Cd using Atomic Absorption Spectrophotometer AAS with HFAqua regia wet digestion method. The pH of the soils ranged between 7.49 and 8.66. The results revealed heavy metal presence and implicated wastes as the major sources of the heavy metals in the soils of the dumpsites. All the metals were detected in all the soil samples except Arsenic that was not detected in three points at site A. Fe had the highest concentrations while Ni had the least concentration in both sites. The trend in concentration was Fe Zn Pb Cu Cd Co Cr AsBaNi in site A While the trend in concentration was Fe Cr Zn Cu PbCd Co As Ba Ni in site B. The mean metal concentrations were compared with Department of Petroleum Resources DPR Standard values for soils in Nigeria all the metals except Cr and Cu are below the DPR target values while Cd and Arsenic are above the DPR intervention values for the two sites and this calls for immediate remediation.
Contamination by urban superficial runoff: accumulated heavy metals on a road surface

Directory of Open Access Journals (Sweden)

Carlos Alfonso Zafra Mejía

2007-01-01

Full Text Available Studying the behaviour of accumulated contamination on urban surfaces is important in designing control methods minimising the impacts of surface runoff on the environment. This paper presents data regarding the sediment collected on the surface of an urban road in the city of Torrelavega in northern Spain during a period of 65 days during which 132 samples were collected. Two types of sediment collection samples were obtained: vacuumed dry samples (free load and those swept up following vacuuming (fixed load. The results showed that heavy metal concentration in the collected sediment (Pb, Zn, Cu and Cd was inversely proportional to particle diameter. High heavy metal concentrations were found in the smaller fraction (63 pm. Regression equations were calculated for heavy metal concentration regarding particle diameter. Large heavy metal loads were found in the larger fraction (125 pm. The results provide information for analysing runoff water quality in urban areas and designing treatment strategies.
Mathematical modeling of heavy metals contamination from MSW landfill site in Khon Kaen, Thailand.

Science.gov (United States)

Tantemsapya, N; Naksakul, Y; Wirojanagud, W

2011-01-01

Kham Bon landfill site is one of many municipality waste disposal sites in Thailand which are in an unsanitary condition. The site has been receiving municipality wastes without separating hazardous waste since 1968. Heavy metals including, Pb, Cr and Cd are found in soil and groundwater around the site, posing a health risk to people living nearby. In this research, contamination transport modelling of Pb, Cr and Cd was simulated using MODFLOW for two periods, at the present (2010) and 20 years prediction (2030). Model results showed that heavy metals, especially Pb and Cr migrated toward the north-eastern and south-eastern direction. The 20 years prediction showed that, heavy metals tend to move from the top soil to the deeper aquifer. The migration would not exceed 500 m radius from the landfill centre in the next 20 years, which is considered to be a slow process. From the simulation model, it is recommended that a mitigation measure should be performed to reduce the risk from landfill contamination. Hazardous waste should be separated for proper management. Groundwater contamination in the aquifer should be closely monitored. Consumption of groundwater in a 500 m radius must be avoided. In addition, rehabilitation of the landfill site should be undertaken to prevent further mobilization of pollutants.
Optical response of a flat metallic surface coated with a monolayer array of latex spheres

International Nuclear Information System (INIS)

Shi Lei; Liu Xiaohan; Yin Haiwei; Zi Jian

2010-01-01

We report on the fabrication, characterization and simulation of a structure consisting of a flat metallic surface coated with a monolayer array of latex spheres. This structure shows interesting optical response: over flat metallic surfaces a series of reflection minima appear in reflection spectra. Numerical simulations revealed that the structure can support two types of surface modes: surface plasmon-polaritons bound at the metallic surface and guided modes confined to the array of latex spheres, or their hybrids. Both experimental and theoretical results indicated that these surface modes show well-defined band structures due to the introduced periodicity by the monolayer array of latex spheres.
The use of tetragnathid spiders as bioindicators of metal exposure at a coal ash spill site.

Science.gov (United States)

Otter, Ryan R; Hayden, Mary; Mathews, Teresa; Fortner, Allison; Bailey, Frank C

2013-09-01

On 22 December 2008, a dike containing coal fly ash from the Tennessee Valley Authority Kingston Fossil Fuel Plant (TN, USA) failed, resulting in the largest coal ash spill in US history. The present study was designed to determine sediment metal concentrations at multiple site locations and to determine whether site-specific bioaccumulation of metals existed in tetragnathid spiders. Selenium and nickel were the only 2 metals to exceed the US Environmental Protection Agency sediment screening levels. Selenium concentrations in spiders were significantly higher at ash-affected sites than in those from reference sites. The ratio of methylmercury to total mercury in spiders was found to be similar to that in other organisms (65-75%), which highlights the potential use of tetragnathid spiders as an indicator species for tracing contaminant transfer between the aquatic and terrestrial ecosystems. Copyright © 2013 SETAC.
Surface modification of nanodiamond through metal free atom transfer radical polymerization

Science.gov (United States)

Zeng, Guangjian; Liu, Meiying; Shi, Kexin; Heng, Chunning; Mao, Liucheng; Wan, Qing; Huang, Hongye; Deng, Fengjie; Zhang, Xiaoyong; Wei, Yen

2016-12-01

Surface modification of nanodiamond (ND) with poly(2-methacryloyloxyethyl phosphorylcholine) [poly(MPC)] has been achieved by using metal free surface initiated atom transfer radical polymerization (SI-ATRP). The ATRP initiator was first immobilized on the surface of ND through direct esterification reaction between hydroxyl group of ND and 2-bromoisobutyryl bromide. The initiator could be employed to obtain ND-poly(MPC) nanocomposites through SI-ATRP using an organic catalyst. The final functional materials were characterized by 1H nuclear magnetic resonance, transmission electron microscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy and thermo gravimetric analysis in detailed. All of these characterization results demonstrated that ND-poly(MPC) have been successfully obtained via metal free photo-initiated SI-ATRP. The ND-poly(MPC) nanocomposites shown enhanced dispersibility in various solvents as well as excellent biocompatibility. As compared with traditional ATRP, the metal free ATRP is rather simple and effective. More importantly, this preparation method avoided the negative influence of metal catalysts. Therefore, the method described in this work should be a promising strategy for fabrication of polymeric nanocomposites with great potential for different applications especially in biomedical fields.
Direct Observation of Molecular Preorganization for Chirality Transfer on a Catalyst Surface

DEFF Research Database (Denmark)

Demers-Carpentier, Vincent; Goubert,, Guillaume; Masini, Federico

2011-01-01

The chemisorption of specific optically active compounds on metal surfaces can create catalytically active chirality transfer sites. However, the mechanism through which these sites bias the stereoselectivity of reactions (typically hydrogenations) is generally assumed to be so complex that conti......The chemisorption of specific optically active compounds on metal surfaces can create catalytically active chirality transfer sites. However, the mechanism through which these sites bias the stereoselectivity of reactions (typically hydrogenations) is generally assumed to be so complex...... functional theory calculations reveals the stereodirecting forces governing preorganization into precise chiral modifier-substrate bimolecular surface complexes. The study shows that the chiral modifier induces prochiral switching on the surface and that different prochiral ratios prevail at different...
A novel fabrication method for surface integration of metal structures into polymers (SIMSIP)

Science.gov (United States)

Carrion-Gonzalez, Hector

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

Energy Technology Data Exchange (ETDEWEB)

Zhang, Kun [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China); Hu, Zheng [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China); Science and Technology on Vehicle Transmission Laboratory, China North Vehicle Research Institute, Beijing 100072 (China); Li, Fengjiang [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China); Wei, Bingchen, E-mail: weibc@imech.ac.cn [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China)

2016-12-30

Highlights: • Obvious smoothing and roughening phases on the Ti-based MG surface resulted, which correspond respectively to the normal and off-normal incidence angles. • Atomic force microscopy confirms two types of periodic ripples distributed evenly over the rough surface. • The irradiation-induced viscosity of MG is about 4×10{sup 12} Pa·s, which accords with the theoretical prediction for metallic glasses close to glass transition temperature. • Surface-confined viscous flow plays a dominant quantitative role, which is due to radiation-induced softening of the low-viscosity surface layer. - Abstract: Ti-based bulk metallic glass was irradiated by a 20 MeV Cl{sup 4+} ion beam under liquid-nitrogen cooling, which produced remarkable surface smoothing and roughening that respectively correspond to normal and off-normal incidence angles of irradiation. Atomic force microscopy confirms two types of periodic ripples distributed evenly over the rough glass surface. In terms of mechanism, irradiation-induced viscosity agrees with the theoretical prediction for metallic glasses near glass transition temperature. Here, a model is introduced, based on relaxation of confined viscous flow with a thin liquid-like layer, that explains both surface smoothing and ripple formation. This study demonstrates that bulk metallic glass has high morphological instability and low viscosity under ion irradiation, which assets can pave new paths for metallic glass applications.
Streamlined Approach for Environmental Restoration Plan for Corrective Action Unit 484: Surface Debris, Waste Sites, and Burn Area, Tonopah Test Range, Nevada

International Nuclear Information System (INIS)

Bechel Nevada

2004-01-01

This Streamlined Approach for Environmental Restoration plan details the activities necessary to close Corrective Action Unit (CAU) 484: Surface Debris, Waste Sites, and Burn Area (Tonopah Test Range). CAU 484 consists of sites located at the Tonopah Test Range, Nevada, and is currently listed in Appendix III of the Federal Facility Agreement and Consent Order. CAU 484 consists of the following six Corrective Action Sites: (1) CAS RG-52-007-TAML, Davis Gun Penetrator Test; (2) CAS TA-52-001-TANL, NEDS Detonation Area; (3) CAS TA-52-004-TAAL, Metal Particle Dispersion Test; (4) CAS TA-52-005-TAAL, Joint Test Assembly DU Sites; (5) CAS TA-52-006-TAPL, Depleted Uranium Site; and (6) CAS TA-54-001-TANL, Containment Tank and Steel Structure

Application of stochastic models in identification and apportionment of heavy metal pollution sources in the surface soils of a large-scale region.

Science.gov (United States)

Hu, Yuanan; Cheng, Hefa

2013-04-16

As heavy metals occur naturally in soils at measurable concentrations and their natural background contents have significant spatial variations, identification and apportionment of heavy metal pollution sources across large-scale regions is a challenging task. Stochastic models, including the recently developed conditional inference tree (CIT) and the finite mixture distribution model (FMDM), were applied to identify the sources of heavy metals found in the surface soils of the Pearl River Delta, China, and to apportion the contributions from natural background and human activities. Regression trees were successfully developed for the concentrations of Cd, Cu, Zn, Pb, Cr, Ni, As, and Hg in 227 soil samples from a region of over 7.2 × 10(4) km(2) based on seven specific predictors relevant to the source and behavior of heavy metals: land use, soil type, soil organic carbon content, population density, gross domestic product per capita, and the lengths and classes of the roads surrounding the sampling sites. The CIT and FMDM results consistently indicate that Cd, Zn, Cu, Pb, and Cr in the surface soils of the PRD were contributed largely by anthropogenic sources, whereas As, Ni, and Hg in the surface soils mostly originated from the soil parent materials.
Thermally generated metals for plasmonic coloring and surface-enhanced Raman sensing

Science.gov (United States)

Huang, Zhenping; Chen, Jian; Liu, Guiqiang; Wang, Yan; Liu, Yi; Tang, Li; Liu, Zhengqi

2018-03-01

Spectral coloring glass and its application on the surface-enhanced Raman scattering are demonstrated experimentally via a simple and moderate heat-treating of the top ultrathin gold film to create discrete nanoparticles, which can produce localized surface plasmon resonances and strong plasmonic near-field coupling effects. Ultrathin metal films with a wide range of thicknesses are investigated by different heat-treatment processes. The annealed metal films have been demonstrated with a series of spectral coloring responses. Moreover, the microscopy images of the metal film structures confirm the formation of distinct geometry features in these operation procedures. Densely packed nanoparticles are observed for the ultrathin metal film with the single-digit level of thickness. With increasing the film thickness over 10 nm, metallic clusters and porous morphologies can be obtained. Importantly, the metallic resonators can provide enhanced Raman scattering with the detection limit down to 10 - 7 molL - 1 of Rhodamine 6G molecules due to the excitation of plasmon resonances and strong near-field coupling effects. These features hold great potential for large-scale and low-cost production of colored glass and Raman substrate.
Ductile fracture surface morphology of amorphous metallic alloys

NARCIS (Netherlands)

Miskuf, J; Csach, K; Ocelik, [No Value; Bengus, VZ; Tabachnikova, ED; Duhaj, P; Ocelik, Vaclav

1999-01-01

Fracture surfaces of ductile failure of two types bulk amorphous metallic alloys were studied using quantitative and qualitative fractographic analysis. The observed fractographic behaviour of ductile failure in comparison with the ductile failure of amorphous alloy ribbons shows signs of the same
21 CFR 178.3910 - Surface lubricants used in the manufacture of metallic articles.

Science.gov (United States)

2010-04-01

... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Surface lubricants used in the manufacture of... lubricants used in the manufacture of metallic articles. The substances listed in this section may be safely used in surface lubricants employed in the manufacture of metallic articles that contact food, subject...
Plant growth promotion, metabolite production and metal tolerance of dark septate endophytes isolated from metal-polluted poplar phytomanagement sites.

Science.gov (United States)

Berthelot, Charlotte; Leyval, Corinne; Foulon, Julie; Chalot, Michel; Blaudez, Damien

2016-10-01

Numerous studies address the distribution and the diversity of dark septate endophytes (DSEs) in the literature, but little is known about their ecological role and their effect on host plants, especially in metal-polluted soils. Seven DSE strains belonging to Cadophora, Leptodontidium, Phialophora and Phialocephala were isolated from roots of poplar trees from metal-polluted sites. All strains developed on a wide range of carbohydrates, including cell-wall-related compounds. The strains evenly colonized birch, eucalyptus and ryegrass roots in re-synthesis experiments. Root and shoot growth promotion was observed and was both plant and strain dependent. Two Phialophora and Leptodontidium strains particularly improved plant growth. However, there was no correlation between the level of root colonization by DSEs and the intensity of growth promotion. All strains produced auxin and six also stimulated plant growth through the release of volatile organic compounds (VOCs). SPME-GC/MS analyses revealed four major VOCs emitted by Cadophora and Leptodontidium The strains exhibited growth at high concentrations of several metals. The ability of metal-resistant DSE strains to produce both soluble and volatile compounds for plant growth promotion indicates interesting microbial resources with high potential to support sustainable production of bioenergy crops within the context of the phytomanagement of metal-contaminated sites. © FEMS 2016. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.
Direct electrodeposition of metal nanowires on electrode surface

International Nuclear Information System (INIS)

Gambirasi, Arianna; Cattarin, Sandro; Musiani, Marco; Vazquez-Gomez, Lourdes; Verlato, Enrico

2011-01-01

A method for decorating the surface of disk electrodes with metal nanowires is presented. Cu and Ni nanowires with diameters from 1.0 μm to 0.2 μm are directly deposited on the electrode surface using a polycarbonate membrane filter template maintained in contact with the metal substrate by the soft homogeneous pressure of a sponge soaked with electrolyte. The morphologic and structural properties of the deposit are characterized by scanning electron microscopy (SEM) and electron backscatter diffraction (EBSD). The latter shows that the head of nanowires with diameter of 0.4 μm is ordinarily polycrystalline, and that of nanowires with diameter of 0.2 μm is almost always monocrystalline for Cu and frequently also for Ni. Cyclic voltammetries and impedance investigations recorded in alkaline solutions at representative Ni electrodes decorated with nanowires provide consistent values of roughness factor, in the range 20-25.
Adventitious Carbon on Primary Sample Containment Metal Surfaces

Science.gov (United States)

Calaway, M. J.; Fries, M. D.

2015-01-01

Future missions that return astromaterials with trace carbonaceous signatures will require strict protocols for reducing and controlling terrestrial carbon contamination. Adventitious carbon (AC) on primary sample containers and related hardware is an important source of that contamination. AC is a thin film layer or heterogeneously dispersed carbonaceous material that naturally accrues from the environment on the surface of atmospheric exposed metal parts. To test basic cleaning techniques for AC control, metal surfaces commonly used for flight hardware and curating astromaterials at JSC were cleaned using a basic cleaning protocol and characterized for AC residue. Two electropolished stainless steel 316L (SS- 316L) and two Al 6061 (Al-6061) test coupons (2.5 cm diameter by 0.3 cm thick) were subjected to precision cleaning in the JSC Genesis ISO class 4 cleanroom Precision Cleaning Laboratory. Afterwards, the samples were analyzed by X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy.
Investigations of thin p-GaN light-emitting diodes with surface plasmon compatible metallization

DEFF Research Database (Denmark)

Fadil, Ahmed; Ou, Yiyu; Iida, Daisuke

2016-01-01

We investigate device performance of InGaN light-emitting diodes with a 30-nm p-GaN layer. The metallization used to separate the p-contact from plasmonic metals, reveals limitations on current spreading which reduces surface plasmonic enhancement.......We investigate device performance of InGaN light-emitting diodes with a 30-nm p-GaN layer. The metallization used to separate the p-contact from plasmonic metals, reveals limitations on current spreading which reduces surface plasmonic enhancement....
Spatial distribution of heavy metal contamination in soils near a primitive e-waste recycling site.

Science.gov (United States)

Quan, Sheng-Xiang; Yan, Bo; Yang, Fan; Li, Ning; Xiao, Xian-Ming; Fu, Jia-Mo

2015-01-01

The total concentrations of 12 heavy metals in surface soils (SS, 0-20 cm), middle soils (MS, 30-50 cm) and deep soils (DS, 60-80 cm) from an acid-leaching area, a deserted paddy field and a deserted area of Guiyu were measured. The results showed that the acid-leaching area was heavily contaminated with heavy metals, especially in SS. The mean concentrations of Ni, Cu, Zn, Cd, Sn, Sb and Pb in SS from the acid-leaching area were 278.4, 684.1, 572.8, 1.36, 3,472, 1,706 and 222.8 mg/kg, respectively. Heavy metal pollution in the deserted paddy field was mainly concentrated in SS and MS. The average values of Sb in SS and MS from the deserted paddy field were 16.3 and 20.2 mg/kg, respectively. However, heavy metal contamination of the deserted area was principally found in the DS. Extremely high concentrations of heavy metals were also observed at some special research sites, further confirming that the level of heavy metal pollution was very serious. The geoaccumulation index (Igeo) values revealed that the acid-leaching area was severely polluted with heavy metals in the order of Sb > Sn > Cu > Cd > Ni > Zn > Pb, while deserted paddy field was contaminated predominately by metals in the order of Sb > Sn > Cu. It was obvious that the concentrations of some uncommon contaminants, such as Sb and Sn, were higher than principal contaminants, such as Ni, Cu, Zn and Pb, suggesting that particular attention should be directed to Sn and Sb contamination in the future research of heavy metals in soils from e-waste-processing areas. Correlation analysis suggested that Li and Be in soils from the acid-leaching area and its surrounding environment might have originated from other industrial activities and from batteries, whereas Ni, Cu, Zn, Cd, Pb, Sn and Sb contamination was most likely caused by uncontrolled electronic waste (e-waste) processing. These results indicate the significant need for optimisation of e-waste-dismantling technologies and remediation of polluted soil
High-power spallation target using a heavy liquid metal free surface flow

International Nuclear Information System (INIS)

Litfin, K.; Fetzer, J.R.; Batta, A.; Class, A.G.; Wetzel, Th.

2015-01-01

A prototype of a heavy liquid metal free surface target as proposed for the multi-purpose hybrid research reactor for high-tech applications in Mol, Belgium, has been set up and experimentally investigated at the Karlsruhe Liquid Metal Laboratory. A stable operation was demonstrated in a wide range of operating conditions and the surface shape was detected and compared with numerical pre-calculations employing Star-CD. Results show a very good agreement of experiment and numerical predictions which is an essential input for other windowless target designs like the META:LIC target for the European Spallation Source. (author)
An orbital-overlap model for minimal work functions of cesiated metal surfaces

International Nuclear Information System (INIS)

Chou, Sharon H; Bargatin, Igor; Howe, Roger T; Voss, Johannes; Vojvodic, Aleksandra; Abild-Pedersen, Frank

2012-01-01

We introduce a model for the effect of cesium adsorbates on the work function of transition metal surfaces. The model builds on the classical point-dipole equation by adding exponential terms that characterize the degree of orbital overlap between the 6s states of neighboring cesium adsorbates and its effect on the strength and orientation of electric dipoles along the adsorbate-substrate interface. The new model improves upon earlier models in terms of agreement with the work function-coverage curves obtained via first-principles calculations based on density functional theory. All the cesiated metal surfaces have optimal coverages between 0.6 and 0.8 monolayers, in accordance with experimental data. Of all the cesiated metal surfaces that we have considered, tungsten has the lowest minimum work function, also in accordance with experiments.
Trends in catalytic NO decomposition over transition metal surfaces

DEFF Research Database (Denmark)

Falsig, Hanne; Bligaard, Thomas; Rass-Hansen, Jeppe

2007-01-01

The formation of NOx from combustion of fossil and renewable fuels continues to be a dominant environmental issue. We take one step towards rationalizing trends in catalytic activity of transition metal catalysts for NO decomposition by combining microkinetic modelling with density functional...... theory calculations. We show specifically why the key problem in using transition metal surfaces to catalyze direct NO decomposition is their significant relative overbinding of atomic oxygen compared to atomic nitrogen....
[Pollution Characteristics and Potential Ecological Risk of Heavy Metals in Urban Surface Water Sediments from Yongkang].

Science.gov (United States)

Qi, Peng; Yu, Shu-quan; Zhang, Chao; Liang, Li-cheng; Che, Ji-lu

2015-12-01

In order to understand the pollution characteristics of heavy metals in surface water sediments of Yongkang, we analyzed the concentrations of 10 heavy metals including Ti, Cr, Mn, Co, Ni, Cu, Zn, As, Pb and Fe in 122 sediment samples, explored the underlying source of heavy metals and then assessed the potential ecological risks of those metals by methods of the index of geo-accumulation and the potential ecological risk. The study results showed that: 10 heavy metal contents followed the order: Fe > Ti > Mn > Zn > Cr > Cu > Ph > Ni > As > Co, all heavy metals except for Ti were 1. 17 to 3.78 times higher than those of Zhejiang Jinhua- Quzhou basin natural soils background values; The concentrations of all heavy metals had a significantly correlation between each other, indicating that those heavy metals had similar sources of pollution, and it mainly came from industrial and vehicle pollutions; The pollution extent of heavy metals in sediments by geo-accumulation index (Igeo) followed the order: Cr > Zn > Ni > Cu > Fe > As > Pb >Mn > Ti, thereinto, Cr, Zn, Cu and Ni were moderately polluted or heavily polluted at some sampling sites; The potential ecological risk of 9 heavy metals in sediments were in the following order: Cu > As > Ni > Cr > Pb > Co > Zn > Mn > Ti, Cu and As contributed the most to the total potential ecological risk, accounting for 22.84% and 21. 62% , others had a total of 55.54% , through the ecological risk assessment, 89. 34% of the potential ecological risk indexes ( RI) were low and 10. 66% were higher. The contamination level of heavy metals in Yongkang was slight in total, but was heavy in local areas.
Replication of surface features from a master model to an amorphous metallic article

Science.gov (United States)

Johnson, William L.; Bakke, Eric; Peker, Atakan

1999-01-01

The surface features of an article are replicated by preparing a master model having a preselected surface feature thereon which is to be replicated, and replicating the preselected surface feature of the master model. The replication is accomplished by providing a piece of a bulk-solidifying amorphous metallic alloy, contacting the piece of the bulk-solidifying amorphous metallic alloy to the surface of the master model at an elevated replication temperature to transfer a negative copy of the preselected surface feature of the master model to the piece, and separating the piece having the negative copy of the preselected surface feature from the master model.
A local leaky-box model for the local stellar surface density-gas surface density-gas phase metallicity relation

Science.gov (United States)

Zhu, Guangtun Ben; Barrera-Ballesteros, Jorge K.; Heckman, Timothy M.; Zakamska, Nadia L.; Sánchez, Sebastian F.; Yan, Renbin; Brinkmann, Jonathan

2017-07-01

We revisit the relation between the stellar surface density, the gas surface density and the gas-phase metallicity of typical disc galaxies in the local Universe with the SDSS-IV/MaNGA survey, using the star formation rate surface density as an indicator for the gas surface density. We show that these three local parameters form a tight relationship, confirming previous works (e.g. by the PINGS and CALIFA surveys), but with a larger sample. We present a new local leaky-box model, assuming star-formation history and chemical evolution is localized except for outflowing materials. We derive closed-form solutions for the evolution of stellar surface density, gas surface density and gas-phase metallicity, and show that these parameters form a tight relation independent of initial gas density and time. We show that, with canonical values of model parameters, this predicted relation match the observed one well. In addition, we briefly describe a pathway to improving the current semi-analytic models of galaxy formation by incorporating the local leaky-box model in the cosmological context, which can potentially explain simultaneously multiple properties of Milky Way-type disc galaxies, such as the size growth and the global stellar mass-gas metallicity relation.
Research on Lessening of Bonding Effects Between the Metallic and Non-Metallic Surfaces Through the Graphite Films Deposited with Pulsed Electrical Discharges Process

Science.gov (United States)

Marin, L.; Topala, P.

2017-06-01

The paper presents the results of experimental research on the physics of natural graphite film formation, the establishment of chemical composition and functional properties of the graphite films, formed on metal surfaces, as a result of the action of plasma in the air environment, at a normal pressure, under the electrical discharge in impulse conditions (EDI). The researchings were performed in the frame of doctoral thesis “Research on lessening of the bonding effects between the metallic and nonmetallic surfaces through the graphite films” and aimed to identify the phenomena that occur at the interface metal/ film of graphite, and to identify also the technological applications that it may have the surface treatment for submitting the films of graphite on metallic surfaces achieved through an innovative process of electrical pulsed discharges. After the research works from the PhD theme above mentioned, a number of interesting properties of graphite pellicle have been identified ie reducing of metal surface polarity. This led to drastic decreases for the values of adhesion when bonding of metal surfaces was performed using a structural polyurethane adhesive designed by ICECHIM. Following the thermo-gravimetric analysis, performed of the graphite film obtained by process of electrical pulsed discharges, have been also discovered other interesting properties for this, ie reversible mass additions at specific values of the working temperature Chemical and scanning electron microscopy analysis have revealed that on the metallic surface subjected to electrical pulsed discharges process, outside the graphite film, it is also obtained a series of spatial formation composed of carbon atoms fullerenes type which are responsible for the phenomenon of addition of mass.
Distinct roles of beta1 metal ion-dependent adhesion site (MIDAS), adjacent to MIDAS (ADMIDAS), and ligand-associated metal-binding site (LIMBS) cation-binding sites in ligand recognition by integrin alpha2beta1.

Science.gov (United States)

Valdramidou, Dimitra; Humphries, Martin J; Mould, A Paul

2008-11-21

Integrin-ligand interactions are regulated in a complex manner by divalent cations, and previous studies have identified ligand-competent, stimulatory, and inhibitory cation-binding sites. In collagen-binding integrins, such as alpha2beta1, ligand recognition takes place exclusively at the alpha subunit I domain. However, activation of the alphaI domain depends on its interaction with a structurally similar domain in the beta subunit known as the I-like or betaI domain. The top face of the betaI domain contains three cation-binding sites: the metal-ion dependent adhesion site (MIDAS), the ADMIDAS (adjacent to MIDAS), and LIMBS (ligand-associated metal-binding site). The role of these sites in controlling ligand binding to the alphaI domain has yet to be elucidated. Mutation of the MIDAS or LIMBS completely blocked collagen binding to alpha2beta1; in contrast mutation of the ADMIDAS reduced ligand recognition but this effect could be overcome by the activating monoclonal antibody TS2/16. Hence, the MIDAS and LIMBS appear to be essential for the interaction between alphaI and betaI, whereas occupancy of the ADMIDAS has an allosteric effect on the conformation of betaI. An activating mutation in the alpha2 I domain partially restored ligand binding to the MIDAS and LIMBS mutants. Analysis of the effects of Ca(2+), Mg(2+), and Mn(2+) on ligand binding to these mutants showed that the MIDAS is a ligand-competent site through which Mn(2+) stimulates ligand binding, whereas the LIMBS is a stimulatory Ca(2+)-binding site, occupancy of which increases the affinity of Mg(2+) for the MIDAS.
The passivation of uranium metal surfaces by nitrogen bombardment — the formation of uranium nitride

Science.gov (United States)

Allen, Geoffrey C.; Holmes, Nigel R.

1988-05-01

As part of a detailed investigation of the behaviour of metallic uranium in various atmospheres, we have examined the reaction between nitrogen gas and uranium metal. At room temperature there was no evidence of reaction between nitrogen gas and a clean metal surface; the only changes observed could be attributed to reaction between the metal and traces of oxygen (less than 0.1 ppm) in the nitrogen gas. Reaction between the metal and nitrogen was induced, however, by accelerating nitrogen towards the surface using a fast atom gun. The resulting nitrided surface was characterized by X-ray photoelectron spectroscopy, and its oxidation behaviour was monitored over an extended period in UHV and in air.
Liquid metal actuator driven by electrochemical manipulation of surface tension

Science.gov (United States)

Russell, Loren; Wissman, James; Majidi, Carmel

2017-12-01

We examine the electrocapillary properties of a fluidic actuator composed of a liquid metal droplet that is submerged in electrolytic solution and attached to an elastic beam. The beam deflection is controlled by electrochemically driven changes in the surface energy of the droplet. The metal is a eutectic gallium-indium alloy that is liquid at room temperature and forms an nm-thin Ga2O3 skin when oxidized. The effective surface tension of the droplet changes dramatically with oxidation and reduction, which are reversibly controlled by applying low voltage to the electrolytic bath. Wetting the droplet to two copper pads allows for a controllable tensile force to be developed between the opposing surfaces. We demonstrate the ability to reliably control force by changing the applied oxidizing voltage. Actuator forces and droplet geometries are also examined by performing a computational fluid mechanics simulation using Surface Evolver. The theoretical predictions are in qualitative agreement with the experimental measurements and provide additional confirmation that actuation is driven by surface tension.
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

Multifunctional methacrylate-based coatings for glass and metal surfaces

Energy Technology Data Exchange (ETDEWEB)

Pospiech, Doris, E-mail: pospiech@ipfdd.de [Leibniz-Institut für Polymerforschung Dresden e. V., Dresden (Germany); Jehnichen, Dieter [Leibniz-Institut für Polymerforschung Dresden e. V., Dresden (Germany); Starke, Sandra; Müller, Felix [Leibniz-Institut für Polymerforschung Dresden e. V., Dresden (Germany); Technische Universität Dresden, Organic Chemistry of Polymers, Dresden (Germany); Bünker, Tobias [Leibniz-Institut für Polymerforschung Dresden e. V., Dresden (Germany); Wollenberg, Anne [Leibniz-Institut für Polymerforschung Dresden e. V., Dresden (Germany); Technische Universität Dresden, Organic Chemistry of Polymers, Dresden (Germany); Häußler, Liane; Simon, Frank; Grundke, Karina; Oertel, Ulrich [Leibniz-Institut für Polymerforschung Dresden e. V., Dresden (Germany); Opitz, Michael; Kruspe, Rainer [IDUS Biologisch Analytisches Umweltlabor GmbH, Ottendorf-Okrilla (Germany)

2017-03-31

Highlights: • New methacrylate-based copolymers synthesized by free radical polymerization. • Comonomer AAMA was able to complex Cu (II) ions in solvent annealing procedure. • Coatings had efficient anti-biofouling efficacy. - Abstract: In order to prevent freshwater biofouling glass and metal surfaces were coated with novel transparent methacrylate-based copolymers. The multifunctionality of the copolymers, such as adhesion to the substrate, surface polarity, mechanical long-term stability in water, and ability to form metal complexes was inserted by the choice of suitable comonomers. The monomer 2-acetoacetoxy ethyl methacrylate (AAMA) was used as complexing unit to produce copper(II) complexes in the coating’s upper surface layer. The semifluorinated monomer 1H,1H,2H,2H-perfluorodecyl methacrylate was employed to adjust the surface polarity and wettability. Comprehensive surface characterization techniques, such as X-ray photoelectron spectroscopy (XPS) and contact angle measurements showed that surface compositions and properties can be easily adjusted by varying the concentrations of the comonomers. The formation of copper(II) complexes along the copolymer chains and their stability against washing out with plenty of water was proven by XPS. Copolymers containing semifluorinated comonomers significantly inhibited the growth of Achnanthidium species. Copolymers with copper-loaded AAMA-sequences were able to reduce both the growth of Achnanthidium spec. and Staphylococcus aureus.
Multifunctional methacrylate-based coatings for glass and metal surfaces

International Nuclear Information System (INIS)

Pospiech, Doris; Jehnichen, Dieter; Starke, Sandra; Müller, Felix; Bünker, Tobias; Wollenberg, Anne; Häußler, Liane; Simon, Frank; Grundke, Karina; Oertel, Ulrich; Opitz, Michael; Kruspe, Rainer

2017-01-01

Highlights: • New methacrylate-based copolymers synthesized by free radical polymerization. • Comonomer AAMA was able to complex Cu (II) ions in solvent annealing procedure. • Coatings had efficient anti-biofouling efficacy. - Abstract: In order to prevent freshwater biofouling glass and metal surfaces were coated with novel transparent methacrylate-based copolymers. The multifunctionality of the copolymers, such as adhesion to the substrate, surface polarity, mechanical long-term stability in water, and ability to form metal complexes was inserted by the choice of suitable comonomers. The monomer 2-acetoacetoxy ethyl methacrylate (AAMA) was used as complexing unit to produce copper(II) complexes in the coating’s upper surface layer. The semifluorinated monomer 1H,1H,2H,2H-perfluorodecyl methacrylate was employed to adjust the surface polarity and wettability. Comprehensive surface characterization techniques, such as X-ray photoelectron spectroscopy (XPS) and contact angle measurements showed that surface compositions and properties can be easily adjusted by varying the concentrations of the comonomers. The formation of copper(II) complexes along the copolymer chains and their stability against washing out with plenty of water was proven by XPS. Copolymers containing semifluorinated comonomers significantly inhibited the growth of Achnanthidium species. Copolymers with copper-loaded AAMA-sequences were able to reduce both the growth of Achnanthidium spec. and Staphylococcus aureus.
Observation of the adsorption and desorption of vibrationally excited molecules on a metal surface

Science.gov (United States)

Shirhatti, Pranav R.; Rahinov, Igor; Golibrzuch, Kai; Werdecker, Jörn; Geweke, Jan; Altschäffel, Jan; Kumar, Sumit; Auerbach, Daniel J.; Bartels, Christof; Wodtke, Alec M.

2018-06-01

The most common mechanism of catalytic surface chemistry is that of Langmuir and Hinshelwood (LH). In the LH mechanism, reactants adsorb, become thermalized with the surface, and subsequently react. The measured vibrational (relaxation) lifetimes of molecules adsorbed at metal surfaces are in the range of a few picoseconds. As a consequence, vibrational promotion of LH chemistry is rarely observed, with the exception of LH reactions occurring via a molecular physisorbed intermediate. Here, we directly detect adsorption and subsequent desorption of vibrationally excited CO molecules from a Au(111) surface. Our results show that CO (v = 1) survives on a Au(111) surface for 1 × 10-10 s. Such long vibrational lifetimes for adsorbates on metal surfaces are unexpected and pose an interesting challenge to the current understanding of vibrational energy dissipation on metal surfaces. They also suggest that vibrational promotion of surface chemistry might be more common than is generally believed.
Surface Termination of the Metal-Organic Framework HKUST-1: A Theoretical Investigation.

Science.gov (United States)

Amirjalayer, Saeed; Tafipolsky, Maxim; Schmid, Rochus

2014-09-18

The surface morphology and termination of metal-organic frameworks (MOF) is of critical importance in many applications, but the surface properties of these soft materials are conceptually different from those of other materials like metal or oxide surfaces. Up to now, experimental investigations are scarce and theoretical simulations have focused on the bulk properties. The possible surface structure of the archetypal MOF HKUST-1 is investigated by a first-principles derived force field in combination with DFT calculations of model systems. The computed surface energies correctly predict the [111] surface to be most stable and allow us to obtain an unprecedented atomistic picture of the surface termination. Entropic factors are identified to determine the preferred surface termination and to be the driving force for the MOF growth. On the basis of this, reported strategies like employing "modulators" during the synthesis to tailor the crystal morphology are discussed.
Half-metallic properties of the (1 1 0) surface of alkali earth metal monosilicides in the zinc blende phase

International Nuclear Information System (INIS)

Bialek, B; Lee, J I

2011-01-01

An all electron ab initio method was employed to study the electronic and magnetic properties of the (1 1 0) surface of alkaline-earth metal silicides: CaSi, SrSi and BaSi, in the zinc blende structure. The three surfaces are found to conserve the half-metallic properties of their bulk structures with a wide semiconducting energy gap in the spin-up channel. Half-metallic energy gap at the surfaces is small. In the CaSi surface it is of the order of k B T, which indicates that in the CaSi (1 1 0) a transition to a metallic state is possible due to temperature fluctuations. At the same time, the CaSi surface exhibits the strongest magnetic properties with 0.91 μ B magnetic moment on the Si atom in the topmost layer and 0.21 μ B magnetic moment on the Ca atom. In each of the three surfaces we observe a reduction of magnetic moments on the atoms in the subsurface layer and the enhancement of the magnetic moment on the atoms in the topmost layer, as compared with the properties of atoms in the bulk. An analysis of the calculated total and atom projected densities of states leads to a conclusion that the surface effects in the structures are short-range phenomena
Chemical bonding of water to metal surfaces studied with core-level spectroscopies

DEFF Research Database (Denmark)

Schiros, T.; Andersson, Klas Jerker; Pettersson, L.G.M.

2010-01-01

The nature of the contact layer of water on surfaces is of relevance for many practical fields, including corrosion, electrochemistry, environmental science and heterogeneous catalysis. Here we focus on the geometric and electronic structure of the water contact layer on transition metal surfaces......-specific information on the partial local density of states, local atomic structure, geometrical parameters and molecular orientation, allowing general principles for water-metal interaction to be derived....
Associative diazotrophic bacteria in grass roots and soils from heavy metal contaminated sites.

Science.gov (United States)

Moreira, Fátima M S; Lange, Anderson; Klauberg-Filho, Osmar; Siqueira, José O; Nóbrega, Rafaela S A; Lima, Adriana S

2008-12-01

This work aimed to evaluate density of associative diazotrophic bacteria populations in soil and grass root samples from heavy metal contaminated sites, and to characterize isolates from these populations, both, phenotypically (Zinc, Cadmium and NaCl tolerance in vitro, and protein profiles) and genotypically (16S rDNA sequencing), as compared to type strains of known diazotrophic species. Densities were evaluated by using NFb, Fam and JNFb media, commonly used for enrichment cultures of diazotrophic bacteria. Bacterial densities found in soil and grass root samples from contaminated sites were similar to those reported for agricultural soils. Azospirillum spp. isolates from contaminated sites and type strains from non-contaminated sites varied substantially in their in vitro tolerance to Zn+2 and Cd+2, being Cd+2 more toxic than Zn+2. Among the most tolerant isolates (UFLA 1S, 1R, S181, S34 and S22), some (1R, S34 and S22) were more tolerant to heavy metals than rhizobia from tropical and temperate soils. The majority of the isolates tolerant to heavy metals were also tolerant to salt stress as indicated by their ability to grow in solid medium supplemented with 30 g L(-1) NaCl. Five isolates exhibited high dissimilarity in protein profiles, and the 16S rDNA sequence analysis of two of them revealed new sequences for Azospirillum.
Effects of Surface Alloying and Laser Beam Treatment on the Microstructure and Wear Behaviour of Surfaces Modified Using Submerged Metal Arc Welding

Directory of Open Access Journals (Sweden)

Regita BENDIKIENE

2016-05-01

Full Text Available In this study, the effects of surface alloying of cheap plain carbon steel using submerged metal arc technique and subsequent laser beam treatment on the microstructure and wear behaviour of surfaced layers were studied. This method is the cheapest one to obtain high alloyed coatings, because there is no need to apply complex technologies of powder making (metal powder is spread on the surface of base metal or inserted into the flux, it is enough to grind, granulate and blend additional materials. On the other hand, strengthening of superficial layers of alloys by thermal laser radiation is one of the applications of laser. Surface is strengthened by concentrated laser beam focused into teeny area (from section of mm till some mm. Teeny area of metal heat up rapidly and when heat is drain to the inner metal layers giving strengthening effect. Steel surface during this treatment exceeds critical temperatures, if there is a need to strengthen deeper portions of the base metal it is possible even to fuse superficial layer. The results presented in this paper are based on micro-structural and micro-chemical analyses of the surfaced and laser beam treated surfaces and are supported by analyses of the hardness, the wear resistance and resultant microstructures. Due to the usage of waste raw materials a significant improvement (~ 30 % in wear resistance was achieved. The maximum achieved hardness of surfaced layer was 62 HRC, it can be compared with high alloyed conventional steel grade. Wear properties of overlays with additional laser beam treatment showed that weight loss of these layers was ~10 % lower compared with overlays after welding; consequently it is possible to replace high alloyed conventional steel grades forming new surfaces or restoring worn machine elements and tools.DOI: http://dx.doi.org/10.5755/j01.ms.22.1.7621
EVALUATION OF HEAVY METALS POLLUTION OF SURFACE WATER FROM ARROYO SAN IGNACIO IN THE SIERRA TARAHUMARA, MEXICO

OpenAIRE

Celia Chávez-Mendoza; Celia Holguín-Licón; Rey M. Quintana-Martínez; Francisco J Camarillo- Acosta; Alexando Guevara-Aguilar; Ricardo A Soto-Cruz

2015-01-01

The aim of this work was to evaluate the metals content in surface water of Arroyo San Ignacio (San Ignacio stream) and its main tributary, which are located in a priority ecological region of Mexico. For this study, these streams were divided in three sampling zones establishing thirty two sampling sites. Al, As, B, Ca, Cd, Cr, Cu, Fe, K, Mg, Mn, Na, Ni, Pb, Se, Si and Zn were measured. Some physicochemical parameters were also evaluated. Results indicated significant difference (P≤0.05) in ...
Photoelectric work function measurement of a cesiated metal surface and its correlation with the surface-produced H- ion flux

International Nuclear Information System (INIS)

Wada, M.; Berkner, K.H.; Pyle, R.V.; Stearns, J.W.

1982-09-01

For application in plasma heating, fueling, and current drive of magnetic fusion devices, high current negative deuterium ion sources for intense neutral beam injectors are being developed using efficient production of negative hydrogen isotope ions on low work function metal surfaces imbedded in hydrogen plasmas. In order to investigate the correlation between work function and negative hydrogen ion production, photoelectron emission from a cesiated metal surface, which is immersed in a hydrogen plasma with an electron density less than 5 x 10 10 /cc, was measured in the photon energy range of 1.3 to 4.1 eV. The work function determination was based on Fowler's analysis, and at the optimum coverage a work function of less than 1.5 eV was observed for a Cs-Cu surface. Measured values of work functions for different Cs coverages were compared to the negative hydrogen currents produced at the metal surface in the discharge; the surface production of negative hydrogen ion current is monotonically increasing with decreasing work function
The Impact of Road Maintenance Substances on Metals Surface Corrosion

OpenAIRE

Jolita Petkuvienė; Dainius Paliulis

2011-01-01

The purpose of research is to assess changes in the visual metal surface due to the exposure of road maintenance salts and molasses (‘Safecote’). Chlorides of deicing salts (NaCl, CaCl2) are the main agents affecting soil and water resources as well as causing the corrosion of roadside metallic elements. Molasses (‘Safecote’) is offered as an alternative to deice road pavement by minimizing the corrosion of metal elements near the road. A laboratory experiment was carried out to immerse and s...
Surface system Forsmark. Site descriptive modelling SDM-Site Forsmark

International Nuclear Information System (INIS)

Lindborg, Tobias

2008-12-01

SKB has undertaken site characterization of two different areas, Forsmark and Laxemar-Simpevarp, in order to find a suitable location for a geological repository for spent nuclear fuel. This report focuses on the site descriptive modelling of the surface system at Forsmark. The characterization of the surface system at the site was primarily made by identifying and describing important properties in different parts of the surface system, properties concerning e.g. hydrology and climate, Quaternary deposits and soils, hydrochemistry, vegetation, ecosystem functions, but also current and historical land use. The report presents available input data, methodology for data evaluation and modelling, and resulting models for each of the different disciplines. Results from the modelling of the surface system are also integrated with results from modelling of the deep bedrock system. The Forsmark site is located within the municipality of Oesthammar, about 120 km north of Stockholm. The investigated area is located along the shoreline of Oeregrundsgrepen, a funnel-shaped bay of the Baltic Sea. The area is characterized by small-scale topographic variations and is almost entirely located at altitudes lower than 20 metres above sea level. The Quaternary deposits in the area are dominated by till, characterized by a rich content of calcite which was transported by the glacier ice to the area from the sedimentary bedrock of Gaevlebukten about 100 km north of Forsmark. As a result, the surface waters and shallow groundwater at Forsmark are characterized by high pH values and high concentrations of certain major constituents, especially calcium and bicarbonate. The annual precipitation and runoff are 560 and 150 mm, respectively. The lakes are small and shallow, with mean and maximum depths ranging from approximately 0.1 to 1 m and 0.4 to 2 m. Sea water flows into the most low-lying lakes during events giving rise to very high sea levels. Wetlands are frequent and cover 25 to 35
Study on the surface oxidation resistance of uranium metal in the atmosphere of carbon monoxide

International Nuclear Information System (INIS)

Wang Xiaolin; Fu Yibei; Xie Renshou

1999-01-01

The surface reactions of different layers on uranium metal with carbon monoxide at 25, 80 and 200 degree C are studied by X-ray photoelectron spectroscopy (XPS). The experimental results show that the carbon monoxide is adsorbed on the surface oxide layer of uranium and interacted each other. The content of oxygen in the surface oxide and O/U ratio are decreased with increasing the exposure of carbon monoxide to the surface layer. The effect of reduction on the metal surface is more obviously with a higher temperature and increasing of layer thickness. The investigation indicates the uranium metal has resistance to further oxidation in the atmosphere of carbon monoxide
Bulk-surface relationship of an electronic structure for high-throughput screening of metal oxide catalysts

International Nuclear Information System (INIS)

Kweun, Joshua Minwoo; Li, Chenzhe; Zheng, Yongping; Cho, Maenghyo; Kim, Yoon Young; Cho, Kyeongjae

2016-01-01

Graphical abstract: - Highlights: • Bulk-surface relationship was predicted by the ligand field nature of metal oxides. • Antibonding and bonding d-bands occupancy clarified the bulk-surface relationship. • Different surface relaxations were explained by the bulk electronic structures. • Transition from the bulk to the surface state was simulated by oxygen adsorption. - Abstract: Designing metal-oxides consisting of earth-abundant elements has been a crucial issue to replace precious metal catalysts. To achieve efficient screening of metal-oxide catalysts via bulk descriptors rather than surface descriptors, we investigated the relationship between the electronic structure of bulk and that of the surface for lanthanum-based perovskite oxides, LaMO_3 (M = Ti, V, Cr, Mn, Fe, Co, Ni, Cu). Through density functional theory calculations, we examined the d-band occupancy of the bulk and surface transition-metal atoms (n_B_u_l_k and n_S_u_r_f) and the adsorption energy of an oxygen atom (E_a_d_s) on (001), (110), and (111) surfaces. For the (001) surface, we observed strong correlation between the n_B_u_l_k and n_S_u_r_f with an R-squared value over 94%, and the result was interpreted in terms of ligand field splitting and antibonding/bonding level splitting. Moreover, the E_a_d_s on the surfaces was highly correlated with the n_B_u_l_k with an R-squared value of more than 94%, and different surface relaxations could be explained by the bulk electronic structure (e.g., LaMnO_3 vs. LaTiO_3). These results suggest that a bulk-derived descriptor such as n_B_u_l_k can be used to screen metal-oxide catalysts.
Effects of pH and phosphate on metal distribution with emphasis on As speciation and mobilization in soils from a lead smelting site

International Nuclear Information System (INIS)

Impellitteri, Christopher A.

2005-01-01

Arsenic in soils from the Asarco lead smelter in East Helena, Montana was characterized by X-ray absorption spectroscopy (XAS). Arsenic oxidation state and geochemical speciation were analyzed as a function of depth (two sampling sites) and surface distribution. These results were compared with intensive desorption/dissolution experiments performed in a pH stat reactor for samples from the site with the highest degree of As heterogeneity. The objectives of the study were to investigate the solid-phase geochemical As speciation, assess the speciation of As in solutions equilibrated with the solids under controlled pH (pH=4 or 6) and Eh (using hydrogen or air) environments, observe the effects of phosphate on the release of As into solution, and examine the effects of phosphate on metal mobility in the systems. Arsenic was predominantly found in the As(V) valence state, though there was evidence that As(III) and As(0) were present also. The dominant geochemical phase was scorodite (FeAsO 4 .2H 2 O). The pH was controlled in the pH stat experiments by the addition of equinormal solutions of monoprotic (HNO 3 ), diprotic (H 2 SO 4 ), or triprotic (H 3 PO 4 ) acids. For many of the divalent metal cations, solution concentrations greatly decreased in the presence of phosphate. Solutions were also analyzed for anions. Evidence exists for sulfate release into solution. More As was released into solution at lower pH. A slight increase in solution arsenate occurs with the addition of phosphate, but the risk posed from the increased desorption/dissolution of As must be weighed against the decrease in solution concentrations of many metals especially Pb. If tailings from this site underwent acidification (e.g., acid mine drainage), in situ sequestration of metals by phosphate could be combined with placement of subsurface permeable reactive barriers for capture of As to reduce the risk associated with arsenic and trace metal mobilization. Results from this study could be used
Heat of solution and site energies of hydrogen in disordered transition-metal alloys

International Nuclear Information System (INIS)

Brouwer, R.C.; Griessen, R.

1989-01-01

Site energies, long-range effective hydrogen-hydrogen interactions, and the enthalpy of solution in transition-metal alloys are calculated by means of an embedded-cluster model. The energy of a hydrogen atom is assumed to be predominantly determined by the first shell of neighboring metal atoms. The semiempirical local band-structure model is used to calculate the energy of the hydrogen atoms in the cluster, taking into account local deviations from the average lattice constant. The increase in the solubility limit and the weak dependence of the enthalpy of solution on hydrogen concentration in disordered alloys are discussed. Calculated site energies and enthalpies of solution in the alloys are compared with experimental data, and good agreement is found. Due to the strong interactions with the nearest-neighbor metal atoms, hydrogen atoms can be used to determine local lattice separations and the extent of short-range order in ''disordered'' alloys
Soil criteria to protect terrestrial wildlife and open-range livestock from metal toxicity at mining sites.

Science.gov (United States)

Ford, Karl L; Beyer, W Nelson

2014-03-01

Thousands of hard rock mines exist in the western USA and in other parts of the world as a result of historic and current gold, silver, lead, and mercury mining. Many of these sites in the USA are on public lands. Typical mine waste associated with these sites are tailings and waste rock dumps that may be used by wildlife and open-range livestock. This report provides wildlife screening criteria levels for metals in soil and mine waste to evaluate risk and to determine the need for site-specific risk assessment, remediation, or a change in management practices. The screening levels are calculated from toxicity reference values based on maximum tolerable levels of metals in feed, on soil and plant ingestion rates, and on soil to plant uptake factors for a variety of receptors. The metals chosen for this report are common toxic metals found at mining sites: arsenic, cadmium, copper, lead, mercury, and zinc. The resulting soil screening values are well above those developed by the US Environmental Protection Agency. The difference in values was mainly a result of using toxicity reference values that were more specific to the receptors addressed rather than the most sensitive receptor.
Modification of metallic surfaces by positive ion bombardment

International Nuclear Information System (INIS)

Rickards C, J.

1989-01-01

Reported are the fundamentals and recent advances in the use of ion implantation techniques and gaseous emissions to modify metal surfaces. The physical phenomena involved, the necessary equipment and some applications which have been successful on an industrial scale are described. (Author). 13 refs, 1 fig
Polishing Metal Mirrors to 0,025 Micron Surface Finish

DEFF Research Database (Denmark)

Pedersen, P. E.

1978-01-01

A research program undertaken by the Danish Atomic Energy Commission required the fabrication of metal mirrors measuring 1 m long by 53 mm wide, which had to be finished to extremely tight tolerances on thickness, plane-parallelism and surface characteristics. Progressively finer diamond compound...... are employed to achieve a high gloss finish on the metal mirrors, which are used in polarized neutron experiments. This article describes the fabrication techniques developed at the Commission's Ris phi Central Workshop....
Analysis of Terminal Metallic Armor Plate Free-Surface Bulging

National Research Council Canada - National Science Library

Rapacki, Jr, E. J

2008-01-01

An analysis of the bulge formed on the free-surface of the terminal metallic plate of an armor array is shown to lead to reasonable estimates of the armor array's remaining penetration/perforation resistance...

Surface treatments of metal supports for photocatalysis applications

Energy Technology Data Exchange (ETDEWEB)

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

2017-04-15

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

Science.gov (United States)

Blomfield, Christopher James

Metal-semiconductor contacts are of fundamental importance to the operation of all semiconductor devices. There are many competing theories of Schottky barrier formation but as yet no quantitative predictive model exists to adequately explain metal-semiconductor interfaces. The II-VI compound semiconductors CdTe, CdS and ZnSe have recently come to the fore with the advent of high efficiency photovoltaic cells and short wavelength light emitters. Major problems still exist however in forming metal contacts to these materials with the desired properties. This work presents results which make a significant contribution to the theory of metal/II-VI interface behaviour in terms of Schottky barriers to n-type CdTe, CdS and ZnSe.Predominantly aqueous based wet chemical etchants were applied to the surfaces of CdTe, CdS and ZnSe which were subsequently characterised by X-ray photoelectron spectroscopy. The ionic nature of these II-VI compounds meant that they behaved as insoluble salts of strong bases and weak acids. Acid etchants induced a stoichiometric excess of semiconductor anion at the surface which appeared to be predominantly in the elemental or hydrogenated state. Alkaline etchants conversely induced a stoichiometric excess of semiconductor cation at the surface which appeared to be in an oxidised state.Metal contacts were vacuum-evaporated onto these etched surfaces and characterised by current-voltage and capacitance-voltage techniques. The surface preparation was found to have a clear influence upon the electrical properties of Schottky barriers formed to etched surfaces. Reducing the native surface oxide produced near ideal Schottky diodes. An extended study of Au, Ag and Sb contacts to [mathematical formula] substrates again revealed the formation of several discrete Schottky barriers largely independent of the metal used; for [mathematical formula]. Deep levels measured within this study and those reported in the literature led to the conclusion that Fermi
Graphene on metal surfaces and its hydrogen adsorption

DEFF Research Database (Denmark)

Andersen, Mie; Hornekær, L.; Hammer, B.

2012-01-01

The interaction of graphene with various metal surfaces is investigated using density functional theory and the meta-generalized gradient approximation (MGGA) M06-L functional. We demonstrate that this method is of comparable accuracy to the random-phase approximation (RPA). With M06-L we study...... large systems inaccessible to RPA with H adsorbed on graphene on a selected strongly (Ni) and a selected weakly (Pt) interacting substrate. Very stable graphane-like clusters, where every other C atom binds to a H atom above and every other to a metal atom below, are found on both substrates...
Influence of various surface-conditioning methods on the bond strength of metal brackets to ceramic surfaces

NARCIS (Netherlands)

Schmage, P; Nergiz, [No Value; Herrmann, W; Ozcan, M; Nergiz, Ibrahim; ï¿½zcan, Mutlu

With the increase in adult orthodontic treatment comes the need to find a reliable method for bonding orthodontic brackets onto metal or ceramic crowns and fixed partial dentures. In this study, shear bond strength and surface roughness tests were used to examine the effect of 4 different surface
Low temperature formation of electrode having electrically conductive metal oxide surface

Science.gov (United States)

Anders, Simone; Anders, Andre; Brown, Ian G.; McLarnon, Frank R.; Kong, Fanping

1998-01-01

A low temperature process is disclosed for forming metal suboxides on substrates by cathodic arc deposition by either controlling the pressure of the oxygen present in the deposition chamber, or by controlling the density of the metal flux, or by a combination of such adjustments, to thereby control the ratio of oxide to metal in the deposited metal suboxide coating. The density of the metal flux may, in turn, be adjusted by controlling the discharge current of the arc, by adjusting the pulse length (duration of on cycle) of the arc, and by adjusting the frequency of the arc, or any combination of these parameters. In a preferred embodiment, a low temperature process is disclosed for forming an electrically conductive metal suboxide, such as, for example, an electrically conductive suboxide of titanium, on an electrode surface, such as the surface of a nickel oxide electrode, by such cathodic arc deposition and control of the deposition parameters. In the preferred embodiment, the process results in a titanium suboxide-coated nickel oxide electrode exhibiting reduced parasitic evolution of oxygen during charging of a cell made using such an electrode as the positive electrode, as well as exhibiting high oxygen overpotential, resulting in suppression of oxygen evolution at the electrode at full charge of the cell.
Nucleation of recrystallization at selected sites in deformed fcc metals

DEFF Research Database (Denmark)

Xu, Chaoling

The objective of this thesis is to explore nucleation of recrystallization at selected sites in selected face-centered-cubic (FCC) metals, namely cold rolled columnar-grained nickel and high purity aluminum further deformed by indenting. Various techniques, including, optical microscopy, electron...... backscattered diffraction (EBSD), electron channeling contrast (ECC) and synchrotron X-ray technique, differential-aperture X-ray microscopy (DAXM), were used to characterize the microstructures, to explore nucleation sites, orientation relationships between nuclei and deformed microstructures, and nucleation...... mechanisms. In the cold rolled nickel samples, the preference of triple junctions (TJs) and grain boundaries (GBs) as nucleation sites is observed. The majorities of the nuclei have the same orientations as the surrounding matrix or are twin-related to a surrounding deformed grain. Only a few nuclei...
Effects of mining-derived metals on riffle-dwelling crayfish in southwestern Missouri and southeastern Kansas, USA

Science.gov (United States)

Allert, Ann L.; DiStefano, Robert J.; Schmitt, Christopher J.; Fairchild, James F.; Brumbaugh, William G.

2012-01-01

Riffle-dwelling crayfish populations were sampled at 16 sites in 4 tributaries of the Spring River located within the Tri-State Mining District in southwest Missouri. Crayfish density, physical habitat quality, and water quality were examined at each site to assess the ecological effects of mining-derived metals on crayfish. Metals (lead, zinc, and cadmium) were analyzed in samples of surface water, sediment, detritus, and whole crayfish. Sites were classified a posteriori into reference, mining, and downstream sites primarily based on metal concentrations in the materials analyzed. Three species of crayfish (Orconectes neglectus neglectus, O. macrus, and O. virilis) were collected during the study; however, only O. n. neglectus was collected at all sites. Mean crayfish densities were significantly lower at mining sites than at reference sites. Mean concentrations of metals were significantly correlated among the materials analyzed and were significantly greater at mining and downstream sites than at reference sites. Principal component analyses showed a separation of sites due to an inverse relationship among crayfish density, metals concentrations, and physical habitat quality variables. Sediment probable-effects quotients and surface-water toxic unit scores were significantly correlated; both indicated risk of toxicity to aquatic biota at several sites. Metals concentrations in whole crayfish at several sites exceeded concentrations known to be toxic to carnivorous wildlife. Mining-derived metals have the potential to impair ecosystem function through decreased organic matter processing and nutrient cycling in streams due to decreased crayfish densities.
Evaluation of site-specific factors influencing heavy metal contents in the topsoil of vegetated infiltration swales

International Nuclear Information System (INIS)

Horstmeyer, Nils; Huber, Maximilian; Drewes, Jörg E.; Helmreich, Brigitte

2016-01-01

Stormwater runoff of traffic areas is usually polluted by organic and inorganic substances and must be treated prior to discharge into groundwater. One widely used treatment method is infiltrating the runoff over the topsoil of vegetated swales. The aim of this study was to evaluate the factors influencing the heavy metal contents in such topsoil layers of vegetated infiltration swales near highways, roads, and parking lots. In total, 262 topsoil samples were taken from 35 sampling sites, which varied in age, traffic volume, road design, driving style, and site-specific conditions. In the evaluation of all soil samples, the median heavy metal values of cadmium, chromium, copper, lead, and zinc were yielding 0.36 (mean: 1.21) mg/kg DM, 37.0 (mean: 44.5) mg/kg DM, 28.0 (mean: 61.5) mg/kg DM, 27.0 (mean: 71.9) mg/kg DM, and 120 (mean: 257) mg/kg DM, respectively. The main purpose was to evaluate the site-specific data (i.e., surrounding land use characteristics, traffic area site data, and operational characteristics). In general, heavy metal contents increased with increasing traffic volumes. However, other factors also had a notable impact. Factors such as road design (e.g., curves, crossings, and roundabouts) and grade of congestion significantly influenced the heavy metal contents. High heavy metal contents were detected for stop-and-go areas, roundabouts, crossings, and sites with traffic lights, signs, and guardrails. Findings of this study can be used to identify highly polluted traffic areas and to verify or improve standards regarding the treatment of runoff from traffic areas. - Highlights: • Correlation of contents with traffic volume, road design, and stop-and-go traffic • Increased heavy metal contents at stop-and-go sites, roundabouts, and crossings • Different soil contents and behavior of cadmium, chromium, copper, lead, and zinc • Identification of factors influencing the variability of zinc in topsoil samples
Evaluation of site-specific factors influencing heavy metal contents in the topsoil of vegetated infiltration swales

Energy Technology Data Exchange (ETDEWEB)

Horstmeyer, Nils; Huber, Maximilian; Drewes, Jörg E.; Helmreich, Brigitte, E-mail: b.helmreich@tum.de

2016-08-01

Stormwater runoff of traffic areas is usually polluted by organic and inorganic substances and must be treated prior to discharge into groundwater. One widely used treatment method is infiltrating the runoff over the topsoil of vegetated swales. The aim of this study was to evaluate the factors influencing the heavy metal contents in such topsoil layers of vegetated infiltration swales near highways, roads, and parking lots. In total, 262 topsoil samples were taken from 35 sampling sites, which varied in age, traffic volume, road design, driving style, and site-specific conditions. In the evaluation of all soil samples, the median heavy metal values of cadmium, chromium, copper, lead, and zinc were yielding 0.36 (mean: 1.21) mg/kg DM, 37.0 (mean: 44.5) mg/kg DM, 28.0 (mean: 61.5) mg/kg DM, 27.0 (mean: 71.9) mg/kg DM, and 120 (mean: 257) mg/kg DM, respectively. The main purpose was to evaluate the site-specific data (i.e., surrounding land use characteristics, traffic area site data, and operational characteristics). In general, heavy metal contents increased with increasing traffic volumes. However, other factors also had a notable impact. Factors such as road design (e.g., curves, crossings, and roundabouts) and grade of congestion significantly influenced the heavy metal contents. High heavy metal contents were detected for stop-and-go areas, roundabouts, crossings, and sites with traffic lights, signs, and guardrails. Findings of this study can be used to identify highly polluted traffic areas and to verify or improve standards regarding the treatment of runoff from traffic areas. - Highlights: • Correlation of contents with traffic volume, road design, and stop-and-go traffic • Increased heavy metal contents at stop-and-go sites, roundabouts, and crossings • Different soil contents and behavior of cadmium, chromium, copper, lead, and zinc • Identification of factors influencing the variability of zinc in topsoil samples.
Modeling surface roughness scattering in metallic nanowires

Energy Technology Data Exchange (ETDEWEB)

Moors, Kristof, E-mail: kristof@itf.fys.kuleuven.be [KU Leuven, Institute for Theoretical Physics, Celestijnenlaan 200D, B-3001 Leuven (Belgium); IMEC, Kapeldreef 75, B-3001 Leuven (Belgium); Sorée, Bart [IMEC, Kapeldreef 75, B-3001 Leuven (Belgium); Physics Department, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerpen (Belgium); KU Leuven, Electrical Engineering (ESAT) Department, Kasteelpark Arenberg 10, B-3001 Leuven (Belgium); Magnus, Wim [IMEC, Kapeldreef 75, B-3001 Leuven (Belgium); Physics Department, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerpen (Belgium)

2015-09-28

Ando's model provides a rigorous quantum-mechanical framework for electron-surface roughness scattering, based on the detailed roughness structure. We apply this method to metallic nanowires and improve the model introducing surface roughness distribution functions on a finite domain with analytical expressions for the average surface roughness matrix elements. This approach is valid for any roughness size and extends beyond the commonly used Prange-Nee approximation. The resistivity scaling is obtained from the self-consistent relaxation time solution of the Boltzmann transport equation and is compared to Prange-Nee's approach and other known methods. The results show that a substantial drop in resistivity can be obtained for certain diameters by achieving a large momentum gap between Fermi level states with positive and negative momentum in the transport direction.
FDTD/TDSE study of surface-enhanced infrared absorption by metal nanoparticles.

Energy Technology Data Exchange (ETDEWEB)

Chang, S.-H.; Schatz, G. C.; Gray, S. K.; Chemistry; Northwestern Univ.; National Cheng-Kung Univ.

2006-01-01

We study surface-enhanced infrared absorption, including multiphoton processes, due to the excitation of surface plasmons on metal nanoparticles. The time-dependent Schroedinger equation and finite-difference time-domain method are self-consistently coupled to treat the problem.
First-principles study on half-metallic zinc-blende CrS and its (001) surface

Energy Technology Data Exchange (ETDEWEB)

Xu, Bin, E-mail: hnsqxb@163.com [Department of Mathematics and Information Sciences, North China university of Water Resources and Electric Power, Zhengzhou 450011 (China); Chen, Leiming [Zhengzhou Institute of Aeronautical Industry Management, Zhengzhou, 450015 (China)

2016-11-01

Half-metallic magnets with complete (100%) spin polarization have attracted growing interest due to the potential in spintronic applications. In this paper, we use the first-principles calculations to explain the seeming contradiction between the recent experimental ferromagnetism (Demper et al., 2012 [22]) and the previous theoretical antiferromagnetic ground state for half-metallic zinc-blende CrS, and the experimental ferromagnetism of zinc-blende CrS arises from the substrate effect. We also show that both Cr- and S-terminated (001) surfaces of CrS preserve the bulk half-metallicity. The calculated surface energy indicates that the S-terminated (001) surface is more stable than the Cr-terminated (001) surface within the whole effective Cr chemical potentials, and thus the S-terminated (001) surface is more likely than the Cr-terminated (001) surface when the CrS thin films are grown on ZnSe substrate.
AECL strategy for surface-based investigations of potential disposal sites and the development of a geosphere model for a site

International Nuclear Information System (INIS)

Whitaker, S.H.; Brown, A.; Davison, C.C.; Gascoyne, M.; Lodha, G.S.; Stevenson, D.R.; Thorne, G.A.; Tomsons, D.

1994-05-01

The objective of this report is to summarize AECL's strategy for surface-based geotechnical site investigations used in screening and evaluating candidate areas and candidate sites for a nuclear fuel waste repository and for the development of geosphere models of sites. The report is one of several prepared by national nuclear fuel waste management programs for the Swedish Nuclear Fuel and Waste Management Co. (SKB) to provide international background on site investigations for SKB's R and D programme on siting.The scope of the report is limited to surface-based investigations of the geosphere, those done at surface or in boreholes drilled from surface. The report discusses AECL's investigation strategy and the methods proposed for use in surface-based reconnaissance and detailed site investigations at potential repository sites. Site investigations done for AECL's Underground Research Laboratory are used to illustrate the approach. The report also discusses AECL's strategy for developing conceptual and mathematical models of geological conditions at sites and the use of these models in developing a model (Geosphere Model) for use in assessing the performance of the disposal system after a repository is closed. Models based on the site data obtained at the URL are used to illustrate the approach. Finally, the report summarizes the lessons learned from AECL's R and D program on site investigations and mentions some recent developments in the R and D program. 120 refs, 33 figs, 7 tabs
AECL strategy for surface-based investigations of potential disposal sites and the development of a geosphere model for a site

Energy Technology Data Exchange (ETDEWEB)

Whitaker, S H; Brown, A; Davison, C C; Gascoyne, M; Lodha, G S; Stevenson, D R; Thorne, G A; Tomsons, D [AECL Research, Whiteshell Labs., Pinawa, MB (Canada)

1994-05-01

The objective of this report is to summarize AECL`s strategy for surface-based geotechnical site investigations used in screening and evaluating candidate areas and candidate sites for a nuclear fuel waste repository and for the development of geosphere models of sites. The report is one of several prepared by national nuclear fuel waste management programs for the Swedish Nuclear Fuel and Waste Management Co. (SKB) to provide international background on site investigations for SKB`s R and D programme on siting.The scope of the report is limited to surface-based investigations of the geosphere, those done at surface or in boreholes drilled from surface. The report discusses AECL`s investigation strategy and the methods proposed for use in surface-based reconnaissance and detailed site investigations at potential repository sites. Site investigations done for AECL`s Underground Research Laboratory are used to illustrate the approach. The report also discusses AECL`s strategy for developing conceptual and mathematical models of geological conditions at sites and the use of these models in developing a model (Geosphere Model) for use in assessing the performance of the disposal system after a repository is closed. Models based on the site data obtained at the URL are used to illustrate the approach. Finally, the report summarizes the lessons learned from AECL`s R and D program on site investigations and mentions some recent developments in the R and D program. 120 refs, 33 figs, 7 tabs.
Adsorption on metal surfaces: Final report

International Nuclear Information System (INIS)

Einstein, T.L.; Glover, R.E. III; Park, R.L.

1987-01-01

This report discusses the progress at the University of Maryland Department of Physics on the adsorption of atoms or molecules on the surfaces of metals. Also discussed are: Phase transformation studies; the use of transfer matrices to study the 2-d, 3-state chiral Potts model; electron-induced ionization of core electrons of atoms; the reflected electron energy loss fine structure above the M/sub 2,3/ core excitation edge of Cu; and other research in atomic and solid state physics
Removal and recovery of toxic metal ions from aqueous waste sites using polymer pendant ligands

International Nuclear Information System (INIS)

Fish, D.

1996-01-01

The purpose of this project is to investigate the use of polymer pendant ligand technology to remove and recover toxic metal ions from DOE aqueous waste sites. Polymer pendant lgiands are organic ligands, anchored to crosslinked, modified divinylbenzene-polystyrene beads, that can selectively complex metal ions. The metal ion removal step usually occurs through a complexation or ion exchange phenomena, thus recovery of the metal ions and reuse of the beads is readily accomplished
Selective metallization of polymers using laser induced surface activation (LISA)—characterization and optimization of porous surface topography

DEFF Research Database (Denmark)

Zhang, Yang; Hansen, Hans Nørgaard; De Grave, Arnaud

2011-01-01

Laser induced selective activation (LISA) is a molded interconnected devices technique for selective metallization of polymers. On the working piece, only the laser-machined area can be metalized in the subsequent plating. The principle of the technology is introduced. Surface analysis was perfor...
Nanoscale surface modifications of medically relevant metals: state-of-the art and perspectives

Science.gov (United States)

Variola, Fabio; Brunski, John B.; Orsini, Giovanna; Tambasco de Oliveira, Paulo; Wazen, Rima; Nanci, Antonio

2011-02-01

Evidence that nanoscale surface properties stimulate and guide various molecular and biological processes at the implant/tissue interface is fostering a new trend in designing implantable metals. Cutting-edge expertise and techniques drawn from widely separated fields, such as nanotechnology, materials engineering and biology, have been advantageously exploited to nanoengineer surfaces in ways that control and direct these processes in predictable manners. In this review, we present and discuss the state-of-the-art of nanotechnology-based approaches currently adopted to modify the surface of metals used for orthopedic and dental applications, and also briefly consider their use in the cardiovascular field. The effects of nanoengineered surfaces on various in vitro molecular and cellular events are firstly discussed. This review also provides an overview of in vivo and clinical studies with nanostructured metallic implants, and addresses the potential influence of nanotopography on biomechanical events at interfaces. Ultimately, the objective of this work is to give the readership a comprehensive picture of the current advances, future developments and challenges in the application of the infinitesimally small to biomedical surface science. We believe that an integrated understanding of the in vitro and particularly of the in vivo behavior is mandatory for the proper exploitation of nanostructured implantable metals and, indeed, of all biomaterials.
Structural coloration of metallic surfaces with micro/nano-structures induced by elliptical vibration texturing

Science.gov (United States)

Yang, Yang; Pan, Yayue; Guo, Ping

2017-04-01

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

Science.gov (United States)

Szunerits, Sabine; Walt, David R

2002-02-15

The localized corrosion behavior of a galvanic aluminum copper couple was investigated by in situ fluorescence imaging with a fiber-optic imaging sensor. Three different, but complementary methods were used for visualizing remote corrosion sites, mapping the topography of the metal surface, and measuring local chemical concentrations of H+, OH-, and Al3+. The first method is based on a pH-sensitive imaging fiber, where the fluorescent dye SNAFL was covalently attached to the fiber's distal end. Fluorescence images were acquired as a function of time at different areas of the galvanic couple. In a second method, the fluorescent dye morin was immobilized on the fiber-optic imaging sensor, which allowed the in situ localization of corrosion processes on pure aluminum to be visualized over time by monitoring the release of Al3+. The development of fluorescence on the aluminum surface defined the areas associated with the anodic dissolution of aluminum. We also investigated the inhibition of corrosion of pure aluminum by CeCl3 and 8-hydroxyquinoline. The decrease in current, the decrease in the number of active sites on the aluminum surface, and the faster surface passivation are all consistent indications that cerium chloride and 8-hydroxyquinoline inhibit corrosion effectively. From the number and extent of corrosion sites and the release of aluminum ions monitored with the fiber, it was shown that 8-hydroxyquinoline is a more effective inhibitor than cerium chloride.

Thermal Diffusion Processes in Metal-Tip-Surface Interactions: Contact Formation and Adatom Mobility

DEFF Research Database (Denmark)

Sørensen, Mads Reinholdt; Jacobsen, Karsten Wedel; Jonsson, Hannes

1996-01-01

and the surface can occur by a sequence of atomic hop and exchange processes which become active on a millisecond time scale when the tip is about 3-5 Angstrom from the surface. Adatoms on the surface are stabilized by the presence of the tip and energy barriers for diffusion processes in the region under the tip......We have carried out computer simulations to identify and characterize various thermally activated atomic scale processes that can play an important role in room temperature experiments where a metal tip is brought close to a metal surface. We find that contact formation between the tip...
A calculation of the surface recombination rate constant for hydrogen isotopes on metals

International Nuclear Information System (INIS)

Baskes, M.J.

1980-01-01

The surface recombination rate constant for hydrogen isotopes on a metal has been calculated using a simple model whose parameters may be determined by direct experimental measurements. Using the experimental values for hydrogen diffusivity, solubility, and sticking coefficient at zero surface coverage a reasonable prediction of the surface recombination constant may be made. The calculated recombination constant is in excellent agreement with experiment for bcc iron. A heuristic argument is developed which, along with the rate constant calculation, shows that surface recombination is important in those metals in which hydrogen has an exothermic heat of solution. (orig.)
Stability of surface plastic flow in large strain deformation of metals

Science.gov (United States)

Viswanathan, Koushik; Udapa, Anirduh; Sagapuram, Dinakar; Mann, James; Chandrasekar, Srinivasan

We examine large-strain unconstrained simple shear deformation in metals using a model two-dimensional cutting system and high-speed in situ imaging. The nature of the deformation mode is shown to be a function of the initial microstructure state of the metal and the deformation geometry. For annealed metals, which exhibit large ductility and strain hardening capacity, the commonly assumed laminar flow mode is inherently unstable. Instead, the imposed shear is accommodated by a highly rotational flow-sinuous flow-with vortex-like components and large-amplitude folding on the mesoscale. Sinuous flow is triggered by a plastic instability on the material surface ahead of the primary region of shear. On the other hand, when the material is extensively strain-hardened prior to shear, laminar flow again becomes unstable giving way to shear banding. The existence of these flow modes is established by stability analysis of laminar flow. The role of the initial microstructure state in determining the change in stability from laminar to sinuous / shear-banded flows in metals is elucidated. The implications for cutting, forming and wear processes for metals, and to surface plasticity phenomena such as mechanochemical Rehbinder effects are discussed.
Electron emission during multicharged ion-metal surface interactions

International Nuclear Information System (INIS)

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

1992-01-01

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

Science.gov (United States)

Thomann, A. L.; Boulmer-Leborgne, C.; Andreazza-Vignolle, C.; Andreazza, P.; Hermann, J.; Blondiaux, G.

1996-10-01

We study a nitriding technique of metals by means of laser induced plasma. The synthesized layers are composed of a nitrogen concentration gradient over several μm depth, and are expected to be useful for tribological applications with no adhesion problem. The nitriding method is tested on the synthesis of titanium nitride which is a well-known compound, obtained at present by many deposition and diffusion techniques. In the method of interest, a laser beam is focused on a titanium target in a nitrogen atmosphere, leading to the creation of a plasma over the metal surface. In order to understand the layer formation, it is necessary to characterize the plasma as well as the surface that it has been in contact with. Progressive nitrogen incorporation in the titanium lattice and TiN synthesis are studied by characterizing samples prepared with increasing laser shot number (100-4000). The role of the laser wavelength is also inspected by comparing layers obtained with two kinds of pulsed lasers: a transversal-excited-atmospheric-pressure-CO2 laser (λ=10.6 μm) and a XeCl excimer laser (λ=308 nm). Simulations of the target temperature rise under laser irradiation are performed, which evidence differences in the initial laser/material interaction (material heated thickness, heating time duration, etc.) depending on the laser features (wavelength and pulse time duration). Results from plasma characterization also point out that the plasma composition and propagation mode depend on the laser wavelength. Correlation of these results with those obtained from layer analyses shows at first the important role played by the plasma in the nitrogen incorporation. Its presence is necessary and allows N2 dissociation and a better energy coupling with the target. Second, it appears that the nitrogen diffusion governs the nitriding process. The study of the metal nitriding efficiency, depending on the laser used, allows us to explain the differences observed in the layer features
Metal thin film growth on multimetallic surfaces: From quaternary metallic glass to binary crystal

Energy Technology Data Exchange (ETDEWEB)

Jing, Dapeng [Iowa State Univ., Ames, IA (United States)

2010-01-01

The work presented in this thesis mainly focuses on the nucleation and growth of metal thin films on multimetallic surfaces. First, we have investigated the Ag film growth on a bulk metallic glass surface. Next, we have examined the coarsening and decay of bilayer Ag islands on NiAl(110) surface. Third, we have investigated the Ag film growth on NiAl(110) surface using low-energy electron diffraction (LEED). At last, we have reported our investigation on the epitaxial growth of Ni on NiAl(110) surface. Some general conclusions can be drawn as follows. First, Ag, a bulk-crystalline material, initially forms a disordered wetting layer up to 4-5 monolayers on Zr-Ni-Cu-Al metallic glass. Above this coverage, crystalline 3D clusters grow, in parallel with the flatter regions. The cluster density increases with decreasing temperature, indicating that the conditions of island nucleation are far-from-equilibrium. Within a simple model where clusters nucleate whenever two mobile Ag adatoms meet, the temperature-dependence of cluster density yields a (reasonable) upper limit for the value of the Ag diffusion barrier on top of the Ag wetting layer of 0.32 eV. Overall, this prototypical study suggests that it is possible to grow films of a bulk-crystalline metal that adopt the amorphous character of a glassy metal substrate, if film thickness is sufficiently low. Next, the first study of coarsening and decay of bilayer islands has been presented. The system was Ag on NiAl(110) in the temperature range from 185 K to 250 K. The coarsening behavior, has some similarities to that seen in the Ag(110) homoepitaxial system studied by Morgenstern and co-workers. At 185 K and 205 K, coarsening of Ag islands follows a Smoluchowski ripening pathway. At 205 K and 250 K, the terrace diffusion limited Ostwald ripening dominants. The experimental observed temperature for the transition from SR to OR is 205 K. The SR exhibits anisotropic island diffusion and the OR exhibits 1D decay of island
Preparation of surface conductive and highly reflective silvered polyimide films by surface modification and in situ self-metallization technique

International Nuclear Information System (INIS)

Wu Zhanpeng; Wu Dezhen; Qi Shengli; Zhang Teng; Jin Riguang

2005-01-01

Double surface conductive and reflective flexible silvered polyimide films have been prepared by alkali hydroxylation of polyimide film surface and incorporation of silver ions through subsequent ion exchange. Thermal curing of silver(I) polyamate precursor leads to re-cycloimidization of modified surface with concomitant silver reduction, yielding a reflective and conductive silver surface approaching that of native metal. The reflective and conductive surface evolves only when the cure temperature rises to 300 deg. C. The metallized films usually retain the essential mechanical properties of the parent films. Films were characterized by transmission electron microscopy (TEM), scanning electron microscopy and tapping mode atomic force microscopy (AFM). AFM demonstrates that the diameter of close-packed silver particles of the silver layers was about 50-150 nm. TEM shows that thickness of silver layer on the polyimide film surface is about 400-600 nm
Distribution and mobility of metals in contaminated sites. chemometric investigation of pollutant profiles.

Science.gov (United States)

Abollino, Ornella; Aceto, Maurizio; Malandrino, Mery; Mentasti, Edoardo; Sarzanini, Corrado; Barberis, Renzo

2002-01-01

The distribution and mobility of heavy metals in the soils of two contaminated sites in Piedmont (Italy) was investigated, evaluating the horizontal and vertical profiles of 15 metals, namely Al, Cd, Cu, Cr, Fe. La, Mn, Ni, Pb, Sc, Ti, V, Y, Zn and Zr. The concentrations in the most polluted areas of the sites were higher than the acceptable limits reported in Italian and Dutch legislations for soil reclamation. Chemometric elaboration of the results by pattern recognition techniques allowed us to identify groups of samples with similar characteristics and to find correlations among the variables. The pollutant mobility was studied by extraction with water, dilute acetic acid and EDTA and by applying Tessier's procedure. The fraction of mobile species, which potentially is the most harmful for the environment, was found to be higher than the one normally present in unpolluted soils, where heavy metals are, to a higher extent, strongly bound to the matrix.
Understanding interaction of curcumin and metal ions on electrode surfaces using EDXRF

Science.gov (United States)

Joseph, Daisy; Kumar, K. Krishna; Narayanan, S. Sriman

2018-04-01

A chemically modified electrode was developed for determination of metal ions (Cd, Pb, Zn, Co, Hg). The modifier used for the study was Curcumin. Curcumin acts as a complexing agent at the surface of the electrode for preconcentration of metal ions from electrolyte to electrode surface and stripped back to electrolyte during analysis. EDXRF was used to analyze these electrodes and it was concluded that the PCR modified electrode favored effective chelation for lead and mercury.
Surface Functionalization of g-C 3 N 4 : Molecular-Level Design of Noble-Metal-Free Hydrogen Evolution Photocatalysts

KAUST Repository

Chen, Yin

2015-06-12

A stable noble-metal-free hydrogen evolution photocatalyst based on graphite carbon nitride (g-C3N4) was developed by a molecular-level design strategy. Surface functionalization was successfully conducted to introduce a single nickel active site onto the surface of the semiconducting g-C3N4. This catalyst family (with less than 0.1 wt% of Ni) has been found to produce hydrogen with a rate near to the value obtained by using 3 wt% platinum as co-catalyst. This new catalyst also exhibits very good stability under hydrogen evolution conditions, without any evidence of deactivation after 24h. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Surface barrier research at the Hanford Site

International Nuclear Information System (INIS)

Gee, G.W.; Ward, A.L.; Fayer, M.J.

1997-01-01

At the DOE Hanford Site, a field-scale prototype surface barrier was constructed in 1994 over an existing waste site as a part of a CERCLA treatability test. The above-grade barrier consists of a fine-soil layer overlying coarse layers of sands, gravels, basalt rock (riprap), and a low permeability asphalt layer. Two sideslope configurations, clean-fill gravel on a 10:1 slope and basalt riprap on a 2:1 slope, were built and are being tested. Design considerations included: constructability; drainage and water balance monitoring, wind and water erosion control and monitoring; surface revegetation and biotic intrusion; subsidence and sideslope stability, and durability of the asphalt layer. The barrier is currently in the final year of a three-year test designed to answer specific questions related to stability and long-term performance. One half of the barrier is irrigated such that the total water applied, including precipitation, is 480 mm/yr (three times the long-term annual average). Each year for the past two years, an extreme precipitation event (71 mm in 8 hr) representing a 1,000-yr return storm was applied in late March, when soil water storage was at a maximum. While the protective sideslopes have drained significant amounts of water, the soil cover (2-m of silt-loam soil overlying coarse sand and rock) has never drained. During the past year there was no measurable surface runoff or wind erosion. This is attributed to extensive revegetation of the surface. In addition, the barrier elevation has shown a small increase of 2 to 3 cm that is attributed to a combination of root proliferation and freeze/thaw activity. Testing will continue through September 1997. Performance data from the prototype barrier will be used by DOE in site-closure decisions at Hanford
Metal Oxide Thin Films Grafted on Silica Gel Surfaces: Recent Advances on the Analytical Application of these Materials

Directory of Open Access Journals (Sweden)

Gushikem Yoshitaka

2001-01-01

Full Text Available In the highly dispersed MxOy monolayer film on a porous SiO2 surface, denoted as SiO2/MxOy, the Si-O-M covalent bond formed on the SiO2 surface restricts the mobility of the attached oxide resulting in coordinatively unsaturated metal oxides (LAS in addition to the Brønsted acid sites (BAS. The BAS arise from the MOH and SiOH groups, the latter due to the unreacted silanol groups. As the attached oxides are strongly immobilized on the surface, they are also thermally very stable. The amphoteric character of most of the attached oxides allows the immobilization of various chemical species, acid or bases, resulting in a wide application of these surface modified materials. In this work many of the recent applications of these MxOy coated silica surfaces are described, such as selective adsorbents, in preconcentration processes, as new packing material for use in HPLC, support for immobilization of enzymes, amperometric electrodes, sensors and biosensors
SURFACE SITES AND MOBILITIES OF IN ATOMS ON A STEPPED CU(100) SURFACE STUDIED AT LOW COVERAGE

NARCIS (Netherlands)

BREEMAN, M; DORENBOS, G; BOERMA, DO

The various surface sites of In atoms deposited to a coverage of 0.013 monolayer (ML) onto a stepped Cu(100) surface were determined with low-energy ion scattering (LEIS) as a function of deposition temperature. From the fractions of In atoms occupying different sites, observed in the temperature
Radionuclides and trace metals in surface air. Appendix C

International Nuclear Information System (INIS)

Feely, H.W.; Toonkel, L.E.; Larsen, R.J.

1981-01-01

Since January 1963, the Environmental Measurements Laboratory (EML), formerly the Health and Safety Laboratory (HASL), has been conducting the Surface Air Sampling Program. This study is a direct outgrowth of a program initiated by the US Naval Research Laboratory (NRL) in 1957 and continued through 1962. The primary objective of this program is to study the spatial and temporal distribution of specific natural and man-made radioisotopes, and of trace metals in the surface air. Other special studies of surface air contamination have been performed during the course of the program
Facile creation of bio-inspired superhydrophobic Ce-based metallic glass surfaces

Science.gov (United States)

Liu, Kesong; Li, Zhou; Wang, Weihua; Jiang, Lei

2011-12-01

A bio-inspired synthesis strategy was conducted to fabricate superhydrophobic Ce-based bulk metallic glass (BMG) surfaces with self-cleaning properties. Micro-nanoscale hierarchical structures were first constructed on BMG surfaces and then modified with the low surface energy coating. Surface structures, surface chemical compositions, and wettability were characterized by combining scanning electron microscopy, atomic force microscopy, x-ray photoelectron spectroscopy, and contact angle measurements. Research indicated that both surface multiscale structures and the low surface free energy coating result in the final formation of superhydrophobicity.
Potential use of Pseudomonas koreensis AGB-1 in association with Miscanthus sinensis to remediate heavy metal(loid)-contaminated mining site soil.

Science.gov (United States)

Babu, A Giridhar; Shea, Patrick J; Sudhakar, D; Jung, Ik-Boo; Oh, Byung-Taek

2015-03-15

Endophytic bacteria have the potential to promote plant growth and heavy metal(loid) (HM) removal from contaminated soil. Pseudomonas koreensis AGB-1, isolated from roots of Miscanthus sinensis growing in mine-tailing soil, exhibited high tolerance to HMs and plant growth promoting traits. Transmission electron microscope (TEM) analysis revealed that AGB-1 sequestered HMs extracellularly and their accumulation was visible as dark metal complexes on bacterial surfaces and outside of the cells. DNA sequencing of HM resistance marker genes indicated high homology to the appropriate regions of the arsB, ACR3(1), aoxB, and bmtA determinants. Inoculating mining site soil with AGB-1 increased M. sinensis biomass by 54%, chlorophyll by 27%, and protein content by 28%. High superoxide dismutase and catalase activities, and the lower malondialdehyde content of plants growing in AGB-1-inoculated soil indicate reduced oxidative stress. Metal(loid) concentrations in roots and shoots of plants grown in inoculated soil were higher than those of the controls in pot trials with mine tailing soil. Results suggest that AGB-1 can be used in association with M. sinensis to promote phytostabilization and remediation of HM-contaminated sites. Copyright © 2015 Elsevier Ltd. All rights reserved.
Spatial, Hysteretic, and Adaptive Host-Guest Chemistry in a Metal-Organic Framework with Open Watson-Crick Sites.

Science.gov (United States)

Cai, Hong; Li, Mian; Lin, Xiao-Rong; Chen, Wei; Chen, Guang-Hui; Huang, Xiao-Chun; Li, Dan

2015-09-01

Biological and artificial molecules and assemblies capable of supramolecular recognition, especially those with nucleobase pairing, usually rely on autonomous or collective binding to function. Advanced site-specific recognition takes advantage of cooperative spatial effects, as in local folding in protein-DNA binding. Herein, we report a new nucleobase-tagged metal-organic framework (MOF), namely ZnBTCA (BTC=benzene-1,3,5-tricarboxyl, A=adenine), in which the exposed Watson-Crick faces of adenine residues are immobilized periodically on the interior crystalline surface. Systematic control experiments demonstrated the cooperation of the open Watson-Crick sites and spatial effects within the nanopores, and thermodynamic and kinetic studies revealed a hysteretic host-guest interaction attributed to mild chemisorption. We further exploited this behavior for adenine-thymine binding within the constrained pores, and a globally adaptive response of the MOF host was observed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Study of metal specific interaction, F-LUMO and VL shift to understand interface of CuPc thin films and noble metal surfaces

Energy Technology Data Exchange (ETDEWEB)

Sinha, Sumona; Mukherjee, M., E-mail: manabendra.mukherjee@saha.ac.in

2015-10-30

Graphical abstract: - Highlights: • F-LUMO, a hybridized state near E{sub F} confirms partial charge transfer. • Non-significant role of partial charge transfer in VL shift over push back effect. • Pyrrole sites affected for partial charge transfer from Cu and Ag substrates. • Negligible effect on pyrrole cites for Pt and Au substrates. - Abstract: The performances of organic electronic devices are significantly associated with their energy level alignment at organic semiconductor/metal–electrode interfaces. The electronic character of an organic semiconducting molecular over-layer on a metal surface can vary from semiconducting to metallic, depending on the nature of the molecular orbitals with respect to the Fermi level of the electrode. The general tendency of extrapolating established models for single crystal substrates to ‘real’ device substrates is highly misleading. Hence, the importance of metal specific interaction, former lowest unoccupied molecular orbital (F-LUMO) and vacuum level (VL) shift have been investigated as a function of thickness of the deposited films by means of photoelectron spectroscopy (XPS and UPS) to understand the interface between CuPc and Cu, Ag, Pt and Au foils sequentially. The XPS data provides the signature of affectability of pyrrole sites of CuPc molecules for partial charge transfer from Cu and Ag substrates while a negligible effect on pyrrole cites resulted for Pt and Au substrates. Furthermore, the appearance of F-LUMO, a hybridized state close to the Fermi level gives confirmatory information about partial charge transfer. Contrary to the general belief that vacuum level shift caused by charge transfer can partially or totally cancel that for push back effect, our observation indicates that the partial charge transfer does not play significant role in the shift of vacuum level. The entire thickness dependent electronic energy level alignment of CuPc films on all noble metal substrates is explained in terms
Study of metal specific interaction, F-LUMO and VL shift to understand interface of CuPc thin films and noble metal surfaces

International Nuclear Information System (INIS)

Sinha, Sumona; Mukherjee, M.

2015-01-01

Graphical abstract: - Highlights: • F-LUMO, a hybridized state near E_F confirms partial charge transfer. • Non-significant role of partial charge transfer in VL shift over push back effect. • Pyrrole sites affected for partial charge transfer from Cu and Ag substrates. • Negligible effect on pyrrole cites for Pt and Au substrates. - Abstract: The performances of organic electronic devices are significantly associated with their energy level alignment at organic semiconductor/metal–electrode interfaces. The electronic character of an organic semiconducting molecular over-layer on a metal surface can vary from semiconducting to metallic, depending on the nature of the molecular orbitals with respect to the Fermi level of the electrode. The general tendency of extrapolating established models for single crystal substrates to ‘real’ device substrates is highly misleading. Hence, the importance of metal specific interaction, former lowest unoccupied molecular orbital (F-LUMO) and vacuum level (VL) shift have been investigated as a function of thickness of the deposited films by means of photoelectron spectroscopy (XPS and UPS) to understand the interface between CuPc and Cu, Ag, Pt and Au foils sequentially. The XPS data provides the signature of affectability of pyrrole sites of CuPc molecules for partial charge transfer from Cu and Ag substrates while a negligible effect on pyrrole cites resulted for Pt and Au substrates. Furthermore, the appearance of F-LUMO, a hybridized state close to the Fermi level gives confirmatory information about partial charge transfer. Contrary to the general belief that vacuum level shift caused by charge transfer can partially or totally cancel that for push back effect, our observation indicates that the partial charge transfer does not play significant role in the shift of vacuum level. The entire thickness dependent electronic energy level alignment of CuPc films on all noble metal substrates is explained in terms of a
Comparison of Two Surface Contamination Sampling Techniques Conducted for the Characterization of Two Pajarito Site Manhattan Project National Historic Park Properties

Energy Technology Data Exchange (ETDEWEB)

Lopez, Tammy Ann [Montana Tech of the Univ. of Montana, Butte, MT (United States); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-07-29

Technical Area-18 (TA-18), also known as Pajarito Site, is located on Los Alamos National Laboratory property and has historic buildings that will be included in the Manhattan Project National Historic Park. Characterization studies of metal contamination were needed in two of the four buildings that are on the historic registry in this area, a “battleship” bunker building (TA-18-0002) and the Pond cabin (TA-18-0029). However, these two buildings have been exposed to the elements, are decades old, and have porous and rough surfaces (wood and concrete). Due to these conditions, it was questioned whether standard wipe sampling would be adequate to detect surface dust metal contamination in these buildings. Thus, micro-vacuum and surface wet wipe sampling techniques were performed side-by-side at both buildings and results were compared statistically. A two-tail paired t-test revealed that the micro-vacuum and wet wipe techniques were statistically different for both buildings. Further mathematical analysis revealed that the wet wipe technique picked up more metals from the surface than the microvacuum technique. Wet wipes revealed concentrations of beryllium and lead above internal housekeeping limits; however, using an yttrium normalization method with linear regression analysis between beryllium and yttrium revealed a correlation indicating that the beryllium levels were likely due to background and not operational contamination. PPE and administrative controls were implemented for National Park Service (NPS) and Department of Energy (DOE) tours as a result of this study. Overall, this study indicates that the micro-vacuum technique may not be an efficient technique to sample for metal dust contamination.

Analysis of total and dissolved heavy metals in surface water of a Mexican polluted river by total reflection X-ray fluorescence spectrometry

Energy Technology Data Exchange (ETDEWEB)

Zarazua, G. [Instituto Nacional de Investigaciones Nucleares, Gerencia de Ciencias Ambientales, Apartado Postal 18-1027, Mexico D.F., C.P. 11801 (Mexico)]. E-mail: gzo@nuclear.inin.mx; Avila-Perez, P. [Instituto Nacional de Investigaciones Nucleares, Gerencia de Ciencias Ambientales, Apartado Postal 18-1027, Mexico D.F., C.P. 11801 (Mexico); Tejeda, S. [Instituto Nacional de Investigaciones Nucleares, Gerencia de Ciencias Ambientales, Apartado Postal 18-1027, Mexico D.F., C.P. 11801 (Mexico); Barcelo-Quintal, I. [Universidad Autonoma Metropolitana, Unidad Azcapotzalco, Mexico, D.F. (Mexico); Martinez, T. [Universidad Nacional Autonoma de Mexico, Facultad de Quimica, Mexico, D.F. (Mexico)

2006-11-15

The present area of study is located in the Upper Course of the Lerma River (UCLR). The Lerma is one of the most important rivers of Mexico, where it drains highly populated and industrialized regions. The aim of the present study is to determine the heavy metal concentration of Cr, Mn, Fe, Cu and Pb in dissolved and total phases of the UCLR by means of Total Reflection X-ray Fluorescence Spectrometry (TXRF). The surface water samples were collected at 8 sites distributed following the stream flow direction of the river. Four sampling campaigns were carried out in each site in a 1-year period. A sample preparation method was applied in order to obtain the total and dissolved fraction and to destroy the organic matter. The total heavy metal average concentration decrease in the following order: Fe (2566 {mu}g/L) > Mn (300 {mu}g/L) > Cu (66 {mu}g/L) > Cr (21 {mu}g/L) > Pb (15 {mu}g/L). In general, the heavy metal concentrations in water of the UCLR are below the maximum permissible limits.
Analysis of total and dissolved heavy metals in surface water of a Mexican polluted river by total reflection X-ray fluorescence spectrometry

Science.gov (United States)

Zarazua, G.; Ávila-Pérez, P.; Tejeda, S.; Barcelo-Quintal, I.; Martínez, T.

2006-11-01

The present area of study is located in the Upper Course of the Lerma River (UCLR). The Lerma is one of the most important rivers of Mexico, where it drains highly populated and industrialized regions. The aim of the present study is to determine the heavy metal concentration of Cr, Mn, Fe, Cu and Pb in dissolved and total phases of the UCLR by means of Total Reflection X-ray Fluorescence Spectrometry (TXRF). The surface water samples were collected at 8 sites distributed following the stream flow direction of the river. Four sampling campaigns were carried out in each site in a 1-year period. A sample preparation method was applied in order to obtain the total and dissolved fraction and to destroy the organic matter. The total heavy metal average concentration decrease in the following order: Fe (2566 μg/L) > Mn (300 μg/L) > Cu (66 μg/L) > Cr (21 μg/L) > Pb (15 μg/L). In general, the heavy metal concentrations in water of the UCLR are below the maximum permissible limits.
Analysis of total and dissolved heavy metals in surface water of a Mexican polluted river by total reflection X-ray fluorescence spectrometry

International Nuclear Information System (INIS)

Zarazua, G.; Avila-Perez, P.; Tejeda, S.; Barcelo-Quintal, I.; Martinez, T.

2006-01-01

The present area of study is located in the Upper Course of the Lerma River (UCLR). The Lerma is one of the most important rivers of Mexico, where it drains highly populated and industrialized regions. The aim of the present study is to determine the heavy metal concentration of Cr, Mn, Fe, Cu and Pb in dissolved and total phases of the UCLR by means of Total Reflection X-ray Fluorescence Spectrometry (TXRF). The surface water samples were collected at 8 sites distributed following the stream flow direction of the river. Four sampling campaigns were carried out in each site in a 1-year period. A sample preparation method was applied in order to obtain the total and dissolved fraction and to destroy the organic matter. The total heavy metal average concentration decrease in the following order: Fe (2566 μg/L) > Mn (300 μg/L) > Cu (66 μg/L) > Cr (21 μg/L) > Pb (15 μg/L). In general, the heavy metal concentrations in water of the UCLR are below the maximum permissible limits
Meteorological data for four sites at surface-disruption features in Yucca Flat, Nevada Test Site, Nye County, Nevada, 1985--1986

International Nuclear Information System (INIS)

Carman, R.L.

1994-01-01

Surface-disruption features, or craters, resulting from underground nuclear testing at the Nevada Test Site may increase the potential for ground-water recharge in an area that would normally produce little, if any, recharge. This report presents selected meteorological data resulting from a study of two surface-disruption features during May 1985 through June 1986. The data were collected at four adjacent sites in Yucca Flat, about 56 kilometers north of Mercury, Nevada. Three sites (one in each of two craters and one at an undisturbed site at the original land surface) were instrumented to collect meteorological data for calculating bare-soil evaporation. These data include (1) long-wave radiation, (2) short-wave radiation, (3) net radiation, (4) air temperature, and (5) soil surface temperature. Meteorological data also were collected at a weather station at an undisturbed site near the study craters. Data collected at this site include (1) air temperature, (2) relative humidity, (3) wind velocity, and (4) wind direction
Plasma-implantation-based surface modification of metals with single-implantation mode

Science.gov (United States)

Tian, X. B.; Cui, J. T.; Yang, S. Q.; Fu, Ricky K. Y.; Chu, Paul K.

2004-12-01

Plasma ion implantation has proven to be an effective surface modification technique. Its biggest advantage is the capability to treat the objects with irregular shapes without complex manipulation of target holder. Many metal materials such as aluminum, stainless steel, tool steel, titanium, magnesium etc, has been treated using this technique to improve their wear-resistance, corrosion-resistance, fatigue-resistance, oxidation-resistance, bio-compatiblity etc. However in order to achieve thicker modified layers, hybrid processes combining plasma ion implantation with other techniques have been frequently employed. In this paper plasma implantation based surface modification of metals using single-implantation mode is reviewed.
Electronic detection of surface plasmon polaritons by metal-oxide-silicon capacitor

Directory of Open Access Journals (Sweden)

Robert E. Peale

2016-09-01

Full Text Available An electronic detector of surface plasmon polaritons (SPPs is reported. SPPs optically excited on a metal surface using a prism coupler are detected by using a close-coupled metal-oxide-silicon (MOS capacitor. Incidence-angle dependence is explained by Fresnel transmittance calculations, which also are used to investigate the dependence of photo-response on structure dimensions. Electrodynamic simulations agree with theory and experiment and additionally provide spatial intensity distributions on and off the SPP excitation resonance. Experimental dependence of the photoresponse on substrate carrier type, carrier concentration, and back-contact biasing is qualitatively explained by simple theory of MOS capacitors.
Bare and protected sputtered-noble-metal films for surface-enhanced Raman spectroscopy

Science.gov (United States)

Talaga, David; Bonhommeau, Sébastien

2014-11-01

Sputtered silver and gold films with different surface morphologies have been prepared and coated with a benzenethiol self-assembled monolayer. Rough noble metal films showed strong Raman features assigned to adsorbed benzenethiol molecules upon irradiation over a wide energy range in the visible spectrum, which disclosed the occurrence of a significant surface-enhanced Raman scattering with maximal enhancement factors as high as 6 × 106. In addition, the adsorption of ethanethiol onto silver surfaces hinders their corrosion over days while preserving mostly intact enhancement properties of naked silver. This study may be applied to develop stable and efficient metalized probes for tip-enhanced Raman spectroscopy.
Scoping evaluation of the technical capabilities of DOE sites for disposal of hazardous metals in mixed low-level waste

International Nuclear Information System (INIS)

Gruebel, M.M.; Waters, R.D.; Langkopf, B.S.

1997-05-01

A team of analysts designed and conducted a scoping evaluation to estimate the technical capabilities of fifteen Department of Energy sites for disposal of the hazardous metals in mixed low-level waste (i.e., waste that contains both low-level radioactive materials and hazardous constituents). Eight hazardous metals were evaluated: arsenic, barium, cadmium, chromium, lead, mercury, selenium, and silver. The analysis considered transport only through the groundwater pathway. The results are reported as site-specific estimates of maximum concentrations of each hazardous metal in treated mixed low-level waste that do not exceed the performance measures established for the analysis. Also reported are site-specific estimates of travel times of each hazardous metal to the point of compliance
Organohalogen pollutants in surface particulates from workshop floors of four major e-waste recycling sites in China and implications for emission lists

Energy Technology Data Exchange (ETDEWEB)

Zeng, Yan-Hong [State Key Laboratory of Organic Geochemistry and Guangdong Key Laboratory of Environmental Protection and Resources Utilization, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Tang, Bin [State Key Laboratory of Organic Geochemistry and Guangdong Key Laboratory of Environmental Protection and Resources Utilization, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Graduate University of Chinese Academy of Sciences, Beijing 100049 (China); Luo, Xiao-Jun [State Key Laboratory of Organic Geochemistry and Guangdong Key Laboratory of Environmental Protection and Resources Utilization, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Zheng, Xiao-Bo [College of Natural Resources and Environment, South China Agricultural University, Guangzhou 510642 (China); Peng, Ping-An [State Key Laboratory of Organic Geochemistry and Guangdong Key Laboratory of Environmental Protection and Resources Utilization, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Mai, Bi-Xian, E-mail: nancymai@gig.ac.cn [State Key Laboratory of Organic Geochemistry and Guangdong Key Laboratory of Environmental Protection and Resources Utilization, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China)

2016-11-01

To examine the environmental pollution associated with e-waste recycling activities, the concentrations of organohologenated pollutants (OHPs), i.e., short- and medium-chain chlorinated paraffins (SCCPs and MCCPs), polychlorinated biphenyls (PCBs), polybrominated diphenyl ethers (PBDEs), and several other halogenated flame retardants (OHFRs), were investigated in surface particulates from the workshop floors of four major e-waste recycling sites (Taizhou, Guiyu, Dali and Qingyuan) in China. The mean levels of SCCPs, MCCPs, PCBs, PBDEs and OHFRs in surface particulates ranged from 30,000–61,000, 170,000–890,000, 2700–27,000, 52,000–240,000, and 62,000–140,000 ng/g dry weight (dw), respectively. OHFRs, including decabromodiphenyl ethane, dechlorane plus, 1,2-bis(2,4,6-tribromophenoxy)ethane, tetrabromobisphenol A, hexabromocyclododecanes, polybrominated biphenyls, hexabromobenzene, pentabromotoluene, and pentabromoethylbenzene, were frequently (> 50% detection frequency) detected in surface particulates with mean concentration ranges of 39,000–63,000, 310–2700, 98–16,000, 21,000–56,000, 55–5700, 1700–27,000, 42–1600, 3.2–220, and 5.8–12 ng/g dw, respectively. The composition of OHPs varied depend on the e-waste items processing in different regions. Guiyu and Dali were typical sites contaminated by halogenated flame retardants (HFRs) and CPs, respectively, while Qingyuan, and Taizhou were representative PCB-polluted regions. The evidence produced by this preliminary study indicated that electronic devices and plastics may account for the high content of HFRs and the metal products are likely the major source of CPs in these e-waste sites. - Highlights: • Report of characterizing the types and possible sources of OHPs in e-waste sites • Guiyu was a typical site contaminated by HFRs, while Dali was dominated by CPs. • Qingyuan and Taizhou were representative PCB-polluted regions. • Electronic devices and plastics may account for the
Organohalogen pollutants in surface particulates from workshop floors of four major e-waste recycling sites in China and implications for emission lists

International Nuclear Information System (INIS)

Zeng, Yan-Hong; Tang, Bin; Luo, Xiao-Jun; Zheng, Xiao-Bo; Peng, Ping-An; Mai, Bi-Xian

2016-01-01

To examine the environmental pollution associated with e-waste recycling activities, the concentrations of organohologenated pollutants (OHPs), i.e., short- and medium-chain chlorinated paraffins (SCCPs and MCCPs), polychlorinated biphenyls (PCBs), polybrominated diphenyl ethers (PBDEs), and several other halogenated flame retardants (OHFRs), were investigated in surface particulates from the workshop floors of four major e-waste recycling sites (Taizhou, Guiyu, Dali and Qingyuan) in China. The mean levels of SCCPs, MCCPs, PCBs, PBDEs and OHFRs in surface particulates ranged from 30,000–61,000, 170,000–890,000, 2700–27,000, 52,000–240,000, and 62,000–140,000 ng/g dry weight (dw), respectively. OHFRs, including decabromodiphenyl ethane, dechlorane plus, 1,2-bis(2,4,6-tribromophenoxy)ethane, tetrabromobisphenol A, hexabromocyclododecanes, polybrominated biphenyls, hexabromobenzene, pentabromotoluene, and pentabromoethylbenzene, were frequently (> 50% detection frequency) detected in surface particulates with mean concentration ranges of 39,000–63,000, 310–2700, 98–16,000, 21,000–56,000, 55–5700, 1700–27,000, 42–1600, 3.2–220, and 5.8–12 ng/g dw, respectively. The composition of OHPs varied depend on the e-waste items processing in different regions. Guiyu and Dali were typical sites contaminated by halogenated flame retardants (HFRs) and CPs, respectively, while Qingyuan, and Taizhou were representative PCB-polluted regions. The evidence produced by this preliminary study indicated that electronic devices and plastics may account for the high content of HFRs and the metal products are likely the major source of CPs in these e-waste sites. - Highlights: • Report of characterizing the types and possible sources of OHPs in e-waste sites • Guiyu was a typical site contaminated by HFRs, while Dali was dominated by CPs. • Qingyuan and Taizhou were representative PCB-polluted regions. • Electronic devices and plastics may account for the
Electromechanical performance of an ionic polymer–metal composite actuator with hierarchical surface texture

International Nuclear Information System (INIS)

He, Qingsong; Yu, Min; Zhang, Xiaoqing; Dai, Zhendong

2013-01-01

Two stainless steel templates were fabricated using electric-spark machining, and a hierarchical surface texture of ionic polymer was produced using both polishing and replication methods, which produced microscale and nanoscale groove-shaped microstructures at the surface of the polymer. The surface morphology of the Nafion membrane and metal electrode were observed using scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). SEM and EDS line-scan analysis indicated that the interfacial surface area was considerably increased and an excellent metal electrode was obtained with the production of a hierarchical surface texture. The displacement, blocking force, and electric current were measured using home-built apparatus. The results revealed that the combined polishing and replication method significantly improved the electromechanical performance of the ionic polymer–metal composite (IPMC). Compared with sandblasted Nafion-based IPMC, the blocking force, displacement, and electric current of the replicated Nafion-based IPMC were 4.39, 2.35, and 1.87 times higher, respectively. The IPMC fabricated in this work exhibited a competitive blocking force compared with recently reported actuators. (paper)
Sorption of heavy metals and radionuclides on mineral surfaces in the presence of organic co-contaminants. 1997 annual progress report

International Nuclear Information System (INIS)

Leckie, J.; Redden, G.

1997-01-01

'This project fits well within the overall objectives established by the Environmental Management and Science Program to promote long-term basic research that will provide the tools for more effective and lower cost remediation efforts at DOE sites where hazardous and radioactive wastes or contamination zones are present. In order to develop the necessary remediation technology it has been recognized that a fundamental understanding of the various chemical and physical factors associated with waste treatment and contaminant transport must be established. Some of the specific topics include waste pretreatment, volume reduction, immobilization, separation methods, the interactions of actinides and heavy metals with surfaces in the presence of organic residues and co-contaminants, contaminant transport in the environment, and long-term storage site assessment. This project has direct and potential application in all these areas. The interaction and partitioning of contaminant metals and radionuclides between solution and solid- surface phases is a fundamental issue for waste treatment and predicting contaminant transport in the environment. Many factors are involved in the functional relationships describing chemical reactivity and physical distribution of chemical species. These include modification of chemical behavior by the suite of chemical co-contaminants in a system. Organic complexing agents are common components of waste mixtures and include both synthetic components specifically introduced as part of processing methods, and poorly characterized compounds that were introduced separately or evolved within the highly reactive wastes. Natural organic complexing agents such as citric acid and siderophores are common in nature and represent factors that will further influence contaminant transport in soils and aquatic systems. Knowledge of the existence of a metal-organic complex cannot automatically be used to predict changes in solid-solution partitioning of the
Experimental study on the surface characteristics of Pd-based bulk metallic glass

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xiang; Sun, Bingli [School of Mechanics and Engineering Science, Zhengzhou University, Zhengzhou 450001 (China); National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China); Zhao, Na [National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China); National Engineering Research Center for Advanced Polymer Processing Technology, Zhengzhou University, Zhengzhou 450002 (China); Li, Qian, E-mail: qianli@zzu.edu.cn [School of Mechanics and Engineering Science, Zhengzhou University, Zhengzhou 450001 (China); National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China); National Engineering Research Center for Advanced Polymer Processing Technology, Zhengzhou University, Zhengzhou 450002 (China); Hou, Jianhua; Feng, Weina [School of Mechanics and Engineering Science, Zhengzhou University, Zhengzhou 450001 (China); National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China)

2014-12-01

Highlights: • Wetting behavior of four polymer melts on Pd-based bulk metallic glass was investigated. • From results, in general, the contact angle of polymer on Pd-based BMG decreases with temperature increasing. • We find a critical temperature for each polymer, above this temperature, contact angle on Pd-based BMG does not decrease with temperature increasing. • Surface free energy of Pd-based BMG was estimated by Owens–Wendt method. - Abstract: The metallic glass has many unique and desirable physical and chemical characteristics for their long-range disordered atomic structure, among them the interfacial properties of the metallic glasses are crucial for their applications and manufacturing. In this work, the contact wetting angles between the polymer melts and Pd{sub 40}Cu{sub 30}Ni{sub 10}P{sub 20} bulk metallic glass (Pd-BMG) with four kinds of roughness were analyzed. Experiments show the order of four polymers wettability on Pd-BMG was PP > HDPE > COC > PC. The surface free energy of Pd-BMG was estimated by Owens–Wendt method using the contact angles of three testing liquids. Neumann method was also used to further evidence the surface free energy of Pd-BMG comparing with PTFE, mold steels NAK80 and LKM2343ESR. The results provide theoretical and technical supports for the fabrication of metallic glass micro mold and the parameter optimization of polymer micro injection molding.
Site-selective electroless nickel plating on patterned thin films of macromolecular metal complexes.

Science.gov (United States)

Kimura, Mutsumi; Yamagiwa, Hiroki; Asakawa, Daisuke; Noguchi, Makoto; Kurashina, Tadashi; Fukawa, Tadashi; Shirai, Hirofusa

2010-12-01

We demonstrate a simple route to depositing nickel layer patterns using photocross-linked polymer thin films containing palladium catalysts, which can be used as adhesive interlayers for fabrication of nickel patterns on glass and plastic substrates. Electroless nickel patterns can be obtained in three steps: (i) the pattern formation of partially quaterized poly(vinyl pyridine) by UV irradiation, (ii) the formation of macromolecular metal complex with palladium, and (iii) the nickel metallization using electroless plating bath. Metallization is site-selective and allows for a high resolution. And the resulting nickel layered structure shows good adhesion with glass and plastic substrates. The direct patterning of metallic layers onto insulating substrates indicates a great potential for fabricating micro/nano devices.
Theoretical Studies of the Structure and the Dynamics on Clean and Chemisorbed Metal Surfaces

Science.gov (United States)

Yang, Liqiu

Molecular dynamics (MD) and lattice dynamics (LD) techniques are employed to investigate several phenomena related to the structure and vibrations at metal surfaces. The MD simulations are performed with the many-body interaction potentials obtained using the Embedded-Atom Method (EAM). As specific examples, we present the results for Ag(100) at 300 K and Cu(100) at 150 K, 300 K, and 600 K. The calculated frequencies and polarizations of all surface modes and resonances at the high-symmetry points in the two-dimensional Brillouin zone are in good agreement with available data, as well as, existing lattice dynamics results with force constants obtained from first-principles calculations. Our calculated surface relaxation is also in reasonable agreement with the data. We also test a much simpler lattice dynamics model with nearest neighbor central force interactions, and conclude that it can reproduce the main features of the phonon modes, but only when adjustable surface parameters are used. Additionally, the temperature dependent studies of the phonon line-widths and the mean-square displacement (MSD) of surface atoms are indicative of enhanced surface anharmonicity. On several chemisorbed metal surfaces, for which force constants are not available from first-principles calculations or the EAM, we perform lattice dynamics studies of phonon dispersion curves using simple force-constant models. These studies provide reliable mean-square displacement of surface atoms and can distinguish between possible reconstruction patterns, the results being insensitive to the exact values of the surface parameters. On c(2 times 2)S-Ni(100), it is found that the parallel component of the mean-square displacement for sulfur is around 50% larger than the vertical component, but for the mean-square displacement of oxygen atoms in the system c(2 times 2)O-Ni(100), the opposite is the case. As regards surface reconstruction, for both p(2 times 1)O-Ag(110) and p(2 times 1)O-Ni(110
In Situ Studies of Surface Mobility on Noble Metal Model Catalysts Using STM and XPS at Ambient Pressure

Energy Technology Data Exchange (ETDEWEB)

Butcher, Derek Robert [Univ. of California, Berkeley, CA (United States)

2010-06-01

High Pressure Scanning Tunneling Microscopy (HP-STM) and Ambient Pressure X-ray Photoelectron Spectroscopy were used to study the structural properties and catalytic behavior of noble metal surfaces at high pressure. HP-STM was used to study the structural rearrangement of the top most atomic surface layer of the metal surfaces in response to changes in gas pressure and reactive conditions. AP-XPS was applied to single crystal and nanoparticle systems to monitor changes in the chemical composition of the surface layer in response to changing gas conditions. STM studies on the Pt(100) crystal face showed the lifting of the Pt(100)-hex surface reconstruction in the presence of CO, H₂, and Benzene. The gas adsorption and subsequent charge transfer relieves the surface strain caused by the low coordination number of the (100) surface atoms allowing the formation of a (1 x 1) surface structure commensurate with the bulk terminated crystal structure. The surface phase change causes a transformation of the surface layer from hexagonal packing geometry to a four-fold symmetric surface which is rich in atomic defects. Lifting the hex reconstruction at room temperature resulted in a surface structure decorated with 2-3 nm Pt adatom islands with a high density of step edge sites. Annealing the surface at a modest temperature (150 C) in the presence of a high pressure of CO or H₂ increased the surface diffusion of the Pt atoms causing the adatom islands to aggregate reducing the surface concentration of low coordination defect sites. Ethylene hydrogenation was studied on the Pt(100) surface using HP-STM. At low pressure, the lifting of the hex reconstruction was observed in the STM images. Increasing the ethylene pressure to 1 Torr, was found to regenerate the hexagonally symmetric reconstructed phase. At room temperature ethylene undergoes a structural rearrangement to form ethylidyne. Ethylidyne preferentially binds at the three-fold hollow sites, which
The role of substrate electrons in the wetting of a metal surface

DEFF Research Database (Denmark)

Schiros, T.; Takahashi, O.; Andersson, Klas Jerker

2010-01-01

We address how the electronic and geometric structures of metal surfaces determine water-metal bonding by affecting the balance between Pauli repulsion and electrostatic attraction. We show how the rigid d-electrons and the softer s-electrons utilize different mechanisms for the redistribution...
Spatial Gradients in Trace Metal Concentrations in the Surface Microlayer of the Mediterranean Sea

Directory of Open Access Journals (Sweden)

Antonio eTovar-Sanchez

2014-12-01

Full Text Available The relationship between dust deposition and surface water metal concentrations is poorly understood. Dissolution, solubility, and partitioning reactions of trace metals from dust particles are governed by complex chemical, biological, and physical processes occurring in the surface ocean. Despite that, the role of the sea surface microlayer (SML, a thin, but fundamental component modulating the air-sea exchange of materials has not been properly evaluated. Our study revealed that the SML of the Mediterranean Sea is enriched with bioactive trace metals (i.e., Cd, Co, Cu and Fe, ranging from 8 (for Cd to 1000 (for Fe times higher than the dissolved metal pool in the underlying water column. The highest enrichments were spatially correlated with the atmospheric deposition of mineral particles. Our mass balance results suggest that the SML in the Mediterranean Sea contains about 2 tonnes of Fe. However, we did not detect any trends between the concentrations of metals in SML with the subsurface water concentrations and biomass distributions. These findings suggest that future studies are needed to quantify the rate of metal exchange between the SML and the bioavailable pool and that the SML should be considered to better understand the effect of atmospheric inputs on the biogeochemistry of trace metals in the ocean.
Some characteristics of metal migration in or on the surface of insulators

International Nuclear Information System (INIS)

Shields, R.B.

1978-03-01

This report reviews the migration of metals, principally silver, in or on the surface of insulating materials, by electrolytic processes. These processes are described for various metals, insulating materials and physical conditions, with numerous examples from the literature. While it is concluded that the only sure way to prevent degradation of insulation due to metal migration is to avoid the use of migration-prone metals, some other measures are mentioned which have been reported to reduce the extent of the growth. (author)
Tailoring of the PS surface with low energy ions: Relevance to growth and adhesion of noble metals

International Nuclear Information System (INIS)

Zaporojtchenko, V.; Zekonyte, J.; Wille, S.; Schuermann, U.; Faupel, F.

2005-01-01

Ion-polymer interaction induces different phenomena in the near surface layer of polymers, and promotes its adhesion to metals. Using XPS, TEM and AFM, polystyrene surface was examined after 1 keV ion-beam treatments with oxygen, nitrogen and argon ions in the ion fluence range from 10 12 to 10 16 cm -2 to clarify the following points: chemical reaction after treatment in vacuum and after exposure to air, identification of adsorption-relevant species for metal atoms, formation of cross-links in the outermost polymer layer. The early stages of metal-polymer interface formation during metallization play a crucial role in the metal-polymer adhesion. Therefore, the influence of the ion fluence and ion chemistry on the condensation of noble metals, film growth and peel strength were measured. The peel strength showed a maximum at a certain fluence depending on ion chemistry. For example, the surface treatment with very low fluence of oxygen ions improved the adhesion between copper and polystyrene by two orders of magnitude without significantly increasing the surface roughness measured with AFM. The locus of failure changed at the same time from interfacial failure for untreated polymer surfaces to cohesive failure in the polymer for modified surfaces. A multilayer model of the metal-polymer interface after ion treatment is suggested

Structure, Mobility, and Composition of Transition Metal Catalyst Surfaces. High-Pressure Scanning Tunneling Microscopy and Ambient-Pressure X-ray Photoelectron Spectroscopy Studies

Energy Technology Data Exchange (ETDEWEB)

Zhu, Zhongwei [Univ. of California, Berkeley, CA (United States)

2013-12-06

Surface structure, mobility, and composition of transition metal catalysts were studied by high-pressure scanning tunneling microscopy (HP-STM) and ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) at high gas pressures. HP-STM makes it possible to determine the atomic or molecular rearrangement at catalyst surfaces, particularly at the low-coordinated active surface sites. AP-XPS monitors changes in elemental composition and chemical states of catalysts in response to variations in gas environments. Stepped Pt and Cu single crystals, the hexagonally reconstructed Pt(100) single crystal, and Pt-based bimetallic nanoparticles with controlled size, shape and composition, were employed as the model catalysts for experiments in this thesis.
Adhesive bonding of resin composite to various titanium surfaces using different metal conditioners and a surface modification system

Directory of Open Access Journals (Sweden)

Hercules Jorge ALMILHATTI

2013-12-01

Full Text Available Objective: This study evaluated the effect of three metal conditioners on the shear bond strength (SBS of a prosthetic composite material to cpTi grade I having three surface treatments. Material and Methods: One hundred sixty eight rivet-shaped specimens (8.0x2.0 mm were cast and subjected to polishing (P or sandblasting with either 50 mm (50SB or 250 mm (250SB Al2O3. The metal conditioners Metal Photo Primer (MPP, Cesead II Opaque Primer (OP, Targis Link (TL, and one surface modification system Siloc (S, were applied to the specimen surfaces, which were covered with four 1-mm thick layers of resin composite. The resin layers were exposed to curing light for 90 s separately. Seven specimens from each experimental group were stored in water at 37ºC for 24 h while the other 7 specimens were subjected to 5,000 thermal cycles consisting of water baths at 4ºC and 60ºC (n=7. All specimens were subjected to SBS test (0.5 mm/min until failure occurred, and further 28 specimens were analyzed using scanning electron microscope (SEM and X-ray energy-dispersive spectroscopy (EDS. Data were analyzed by 3-way ANOVA followed by post-hoc Tukey's test (α=0.05. Results: On 50SB surfaces, OP groups showed higher SBS means than MPP (P<0.05, while no significant difference was found among OP, S, and TL groups. On 250SB surfaces, OP and TL groups exhibited higher SBS than MPP and S (P<0.05. No significant difference in SBS was found between OP and TL groups nor between MPP and S groups. The use of conditioners on 250SB surfaces resulted in higher SBS means than the use of the same products on 50SB surfaces (P<0.05. Conclusion: Sandblasting associated with the use of metal conditioners improves SBS of resin composites to cpTi.
Surface system Forsmark. Site descriptive modelling SDM-Site Forsmark

Energy Technology Data Exchange (ETDEWEB)

Lindborg, Tobias [ed.

2008-12-15

SKB has undertaken site characterization of two different areas, Forsmark and Laxemar-Simpevarp, in order to find a suitable location for a geological repository for spent nuclear fuel. This report focuses on the site descriptive modelling of the surface system at Forsmark. The characterization of the surface system at the site was primarily made by identifying and describing important properties in different parts of the surface system, properties concerning e.g. hydrology and climate, Quaternary deposits and soils, hydrochemistry, vegetation, ecosystem functions, but also current and historical land use. The report presents available input data, methodology for data evaluation and modelling, and resulting models for each of the different disciplines. Results from the modelling of the surface system are also integrated with results from modelling of the deep bedrock system. The Forsmark site is located within the municipality of Oesthammar, about 120 km north of Stockholm. The investigated area is located along the shoreline of Oeregrundsgrepen, a funnel-shaped bay of the Baltic Sea. The area is characterized by small-scale topographic variations and is almost entirely located at altitudes lower than 20 metres above sea level. The Quaternary deposits in the area are dominated by till, characterized by a rich content of calcite which was transported by the glacier ice to the area from the sedimentary bedrock of Gaevlebukten about 100 km north of Forsmark. As a result, the surface waters and shallow groundwater at Forsmark are characterized by high pH values and high concentrations of certain major constituents, especially calcium and bicarbonate. The annual precipitation and runoff are 560 and 150 mm, respectively. The lakes are small and shallow, with mean and maximum depths ranging from approximately 0.1 to 1 m and 0.4 to 2 m. Sea water flows into the most low-lying lakes during events giving rise to very high sea levels. Wetlands are frequent and cover 25 to 35
Coordination to transition metal surfaces : a theoretical study

NARCIS (Netherlands)

Santen, van R.A.

1985-01-01

A theoretical framework is developed that describes the chemisorption of CO to transition metal surfaces analogous to the HOMO-LUMO concept of MO theory. An explanation is given for the exptl. observation that CO adsorbs on top at the (111), face of Pt, but bridge at the (111) face of Ni. One is due
Assessment of Heavy and Trace Metals in Surface Soil Nearby an Oil Refinery, Saudi Arabia, Using Geoaccumulation and Pollution Indices.

Science.gov (United States)

Alshahri, Fatimh; El-Taher, A

2018-04-30

The present study deals with the measurement of heavy and trace metals in the soils of Ras Tanura city nearby one of the oldest and largest oil refineries located on Arabian Gulf, eastern Saudi Arabia. Metals were analyzed in 34 surface soil samples using plasma atomic emission spectrometer (ICPE-9820). The result showed that the mean values of the metals concentrations were in the order: Cd > Mo > Tb > Ce > Hf > Eu > Yb > U > Sm > Rb > Cr > Ni > Pb > Sc > Cs > Zn > Lu > Co. The mean values of Cd (39.9 mg/kg), Mo (13.2 mg/kg), Eu (4.01 mg/kg), Hf (6.09 mg/kg), Tb (8.23 mg/kg), and Yb (3.88) in soil samples were higher than the background values in soil and the world average. The obtained results indicated to elevated levels of Cd and Mo in most samples, with mean concentrations exceeded the background levels by 113 times for Cd and 5 times for Mo. Pollution index (PI) and Geoaccumulation (I geo ) for each metal were calculated to assess the metal contamination level of surface soil in the study area. The assessment results of PI and I geo revealed a significant pollution by Cd, Mo, Eu, Hf, Tb, and Yb in most of sampling sites nearby Ras Tanura refinery.
Pollution, toxicity, and ecological risk of heavy metals in surface river sediments of a large basin undergoing rapid economic development.

Science.gov (United States)

Tang, Wenzhong; Zhang, Chao; Zhao, Yu; Shan, Baoqing; Song, Zhixin

2017-05-01

A comprehensive and detailed investigation of heavy metal pollution, toxicity, and ecological risk assessment was conducted for the surface river sediments of the Haihe Basin in China based on 220 sampling sites selected in 2013. The average concentrations of Cr, Cu, Ni, Pb, and Zn in the sediments were 129 mg/kg, 63.4 mg/kg, 36.6 mg/kg, 50.0 mg/kg, and 202 mg/kg, respectively. As indicated by the geoaccumulation and pollution load indices, most surface river sediments of the Haihe Basin were contaminated with the investigated metals, especially in the junction region of the Zi Ya He and Hei Long Gang watersheds. The 5 heavy metals in the sediments all had anthropogenic sources, and the enrichment degrees followed the order Cu > Pb > Zn > Cr > Ni, with mean enrichment factors of 3.27, 2.77, 2.58, 1.81, and 1.44, respectively. According to the mean index of comprehensive potential ecological risk (38.9), the studied sediments of the Haihe Basin showed low potential ecological risk, but the sediments were potentially biologically toxic based on the mean probable effect concentration quotient (0.547), which may be the result of speciation of the 5 metals in the sediments. The results indicate that heavy metal pollution should be considered during the development of ecological restoration strategies in the Haihe Basin. Environ Toxicol Chem 2017;36:1149-1155. © 2016 SETAC. © 2016 SETAC.
The secondary electron yield of noble metal surfaces

Directory of Open Access Journals (Sweden)

L. A. Gonzalez

2017-11-01

Full Text Available Secondary electron yield (SEY curves in the 0-1000 eV range were measured on polycrystalline Ag, Au and Cu samples. The metals were examined as introduced in the ultra-high vacuum chamber and after having been cleaned by Ar+ ion sputtering. The comparison between the curves measured on the clean samples and in the presence of contaminants, due to the permanence in atmosphere, confirmed that the SEY behavior is strongly influenced by the chemical state of the metal surface. We show that when using very slow primary electrons the sample work function can be determined with high accuracy from the SEY curves. Moreover we prove that SEY is highly sensitive to the presence of adsorbates even at submonolayer coverage. Results showing the effect of small quantities of CO adsorbed on copper are presented. Our findings demonstrate that SEY, besides being an indispensable mean to qualify technical materials in many technological fields, can be also used as a flexible and advantageous diagnostics to probe surfaces and interfaces.
Photoelectron emission from metal surfaces by ultrashort laser pulses

International Nuclear Information System (INIS)

Faraggi, M. N.; Gravielle, M. S.; Silkin, V. M.

2006-01-01

Electron emission from metal surfaces produced by short laser pulses is studied within the framework of the distorted-wave formulation. The proposed approach, named surface-Volkov (SV) approximation, makes use of the band-structure based (BSB) model and the Volkov phase to describe the interaction of the emitted electron with the surface and the external electric field, respectively. The BSB model provides a realistic representation of the surface, based on a model potential that includes the main features of the surface band structure. The SV method is applied to evaluate the photoelectron emission from the valence band of Al(111). Angular and energy distributions are investigated for different parameters of the laser pulse, keeping in all cases the carrier frequency larger than the plasmon one
Removal of foreign atoms from a metal surface bombarded with fast atomic particles

Energy Technology Data Exchange (ETDEWEB)

Dolotov, S.K.; Evstigneev, S.A.; Luk' yanov, S.Yu.; Martynenko, Yu.V.; Chicherov, V.M.

1976-07-01

A metal surface coated with foreign atoms was irradiated with periodically repeating ion current pulses. The energy of the ions bombarding the target was 20 to 30 keV, and inert gas ions were used. A study of the time dependences of the current of the dislodged foreign atoms showed that the rate of their removal from the target surface is determined by the sputtering coefficient of the substrate metal.
Removal of foreign atoms from a metal surface bombarded with fast atomic particles

International Nuclear Information System (INIS)

Dolotov, S.K.; Evstigneev, S.A.; Luk'yanov, S.Yu.; Martynenko, Yu.V.; Chicherov, V.M.

A metal surface coated with foreign atoms was irradiated with periodically repeating ion current pulses. The energy of the ions bombarding the target was 20 to 30 keV, and inert gas ions were used. A study of the time dependences of the current of the dislodged foreign atoms showed that the rate of their removal from the target surface is determined by the sputtering coefficient of the substrate metal
Fabrication and condensation characteristics of metallic superhydrophobic surface with hierarchical micro-nano structures

Science.gov (United States)

Chu, Fuqiang; Wu, Xiaomin

2016-05-01

Metallic superhydrophobic surfaces have various applications in aerospace, refrigeration and other engineering fields due to their excellent water repellent characteristics. This study considers a simple but widely applicable fabrication method using a two simultaneous chemical reactions method to prepare the acid-salt mixed solutions to process the metal surfaces with surface deposition and surface etching to construct hierarchical micro-nano structures on the surface and then modify the surface with low surface-energy materials. Al-based and Cu-based superhydrophobic surfaces were fabricated using this method. The Al-based superhydrophobic surface had a water contact angle of 164° with hierarchical micro-nano structures similar to the lotus leaves. The Cu-based surface had a water contact angle of 157° with moss-like hierarchical micro-nano structures. Droplet condensation experiments were also performed on these two superhydrophobic surfaces to investigate their condensation characteristics. The results show that the Al-based superhydrophobic surface has lower droplet density, higher droplet jumping probability, slower droplet growth rate and lower surface coverage due to the more structured hierarchical structures.
Polydopamine-mediated surface-functionalization of graphene oxide for heavy metal ions removal

International Nuclear Information System (INIS)

Dong, Zhihui; Zhang, Feng; Wang, Dong; Liu, Xia; Jin, Jian

2015-01-01

By utilizing polydopamine (PD) nano-thick interlayer as mediator, polyethylenimine (PEI) brushes with abundant amine groups were grafted onto the surface of PD coated graphene oxide (GO) uniformly via a Michael-Addition reaction and produced a PEI–PD/GO composite nanosheets. The PEI–PD/GO composite exhibited an improved performance for adsorption of heavy metal ions as compared to PEI-coated GO and pure GO. The adsorption capacities for Cu 2+ , Cd 2+ , Pb 2+ , Hg 2+ are up to 87, 106, 197, and 110 mg/g, respectively. To further make the GO based composite operable, PEI–PD/RGO aerogel was prepared through hydrothermal and achieved a high surface area up to 373 m 2 /g. Although the adsorption capacity of PEI–PD/RGO aerogel for heavy metal ions decreases a little as compared to PEI–PD/GO composite dispersion (38, 32, 95, 113 mg/g corresponding to Cu 2+ , Cd 2+ , Pb 2+ , and Hg 2+ , respectively), it could be recycled several times in a simple way by releasing adsorbed metal ions, indicating its potential application for cleaning wastewater. - Graphical abstract: Polyethylenimine (PEI) brushes were grafted onto the surface of graphene oxide (GO) uniformly via a Michael-Addition reaction between the PEI and polydopamine interlayer coated on GO surface. The PEI–PD/GO composite exhibited an improved performance for adsorption of heavy metal ions compared to PEI-coated GO and pure GO. - Highlights: • We prepared polyethylenimine grafted polydopamine-mediated graphene oxide composites. • Introduction of PD layer increases metal ions adsorption capacity. • PEI–PD/RGO aerogel exhibited a superior adsorption performance. • PEI–PD/RGO aerogel can be recycled several times in a simple way
Fracture Surface Morphology Under Ductile Tearing of Metal Plates

DEFF Research Database (Denmark)

Kacar, Muhammet F.; Tekoglu, Cihan; Nielsen, Kim Lau

2017-01-01

The present work takes as offset the hypothesis that microstructural parameters, related to particle size and distribution, govern the transition between crack surface morphologies observed in experiments. The key question is; why does tearing of a given metal plate leave a specific morphology...
Theoretical study of n-alkane adsorption on metal surfaces

DEFF Research Database (Denmark)

Morikawa, Yoshitada; Ishii, Hisao; Seki, Kazuhiko

2004-01-01

The interaction between n-alkane and metal surfaces has been studied by means of density-functional theoretical calculations within a generalized gradient approximation (GGA). We demonstrate that although the GGA cannot reproduce the physisorption energy well, our calculations can reproduce the e...
Novel bis-(−)-nor-meptazinol derivatives act as dual binding site AChE inhibitors with metal-complexing property

Energy Technology Data Exchange (ETDEWEB)

Zheng, Wei [Department of Medicinal Chemistry, School of Pharmacy, Fudan University, 826 Zhangheng Road, Shanghai 200032 (China); NPFPC Key Laboratory of Contraceptives and Devices, Shanghai Institute of Planned Parenthood Research, 2140 Xietu Road, Shanghai 200032 (China); Li, Juan [Department of Pharmacology, Institute of Medical Sciences, Shanghai Jiaotong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); Qiu, Zhuibai [Department of Medicinal Chemistry, School of Pharmacy, Fudan University, 826 Zhangheng Road, Shanghai 200032 (China); Xia, Zheng [Department of Pharmacology, Institute of Medical Sciences, Shanghai Jiaotong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); Li, Wei [Department of Medicinal Chemistry, School of Pharmacy, Fudan University, 826 Zhangheng Road, Shanghai 200032 (China); Yu, Lining; Chen, Hailin; Chen, Jianxing [NPFPC Key Laboratory of Contraceptives and Devices, Shanghai Institute of Planned Parenthood Research, 2140 Xietu Road, Shanghai 200032 (China); Chen, Yan; Hu, Zhuqin; Zhou, Wei; Shao, Biyun; Cui, Yongyao [Department of Pharmacology, Institute of Medical Sciences, Shanghai Jiaotong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); Xie, Qiong, E-mail: xiejoanxq@gmail.com [Department of Medicinal Chemistry, School of Pharmacy, Fudan University, 826 Zhangheng Road, Shanghai 200032 (China); Chen, Hongzhuan, E-mail: yaoli@shsmu.edu.cn [Department of Pharmacology, Institute of Medical Sciences, Shanghai Jiaotong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China)

2012-10-01

The strategy of dual binding site acetylcholinesterase (AChE) inhibition along with metal chelation may represent a promising direction for multi-targeted interventions in the pathophysiological processes of Alzheimer's disease (AD). In the present study, two derivatives (ZLA and ZLB) of a potent dual binding site AChE inhibitor bis-(−)-nor-meptazinol (bis-MEP) were designed and synthesized by introducing metal chelating pharmacophores into the middle chain of bis-MEP. They could inhibit human AChE activity with IC{sub 50} values of 9.63 μM (for ZLA) and 8.64 μM (for ZLB), and prevent AChE-induced amyloid-β (Aβ) aggregation with IC{sub 50} values of 49.1 μM (for ZLA) and 55.3 μM (for ZLB). In parallel, molecular docking analysis showed that they are capable of interacting with both the catalytic and peripheral anionic sites of AChE. Furthermore, they exhibited abilities to complex metal ions such as Cu(II) and Zn(II), and inhibit Aβ aggregation triggered by these metals. Collectively, these results suggest that ZLA and ZLB may act as dual binding site AChEIs with metal-chelating potency, and may be potential leads of value for further study on disease-modifying treatment of AD. -- Highlights: ► Two novel bis-(−)-nor-meptazinol derivatives are designed and synthesized. ► ZLA and ZLB may act as dual binding site AChEIs with metal-chelating potency. ► They are potential leads for disease-modifying treatment of Alzheimer's disease.
Novel bis-(−)-nor-meptazinol derivatives act as dual binding site AChE inhibitors with metal-complexing property

International Nuclear Information System (INIS)

Zheng, Wei; Li, Juan; Qiu, Zhuibai; Xia, Zheng; Li, Wei; Yu, Lining; Chen, Hailin; Chen, Jianxing; Chen, Yan; Hu, Zhuqin; Zhou, Wei; Shao, Biyun; Cui, Yongyao; Xie, Qiong; Chen, Hongzhuan

2012-01-01

The strategy of dual binding site acetylcholinesterase (AChE) inhibition along with metal chelation may represent a promising direction for multi-targeted interventions in the pathophysiological processes of Alzheimer's disease (AD). In the present study, two derivatives (ZLA and ZLB) of a potent dual binding site AChE inhibitor bis-(−)-nor-meptazinol (bis-MEP) were designed and synthesized by introducing metal chelating pharmacophores into the middle chain of bis-MEP. They could inhibit human AChE activity with IC 50 values of 9.63 μM (for ZLA) and 8.64 μM (for ZLB), and prevent AChE-induced amyloid-β (Aβ) aggregation with IC 50 values of 49.1 μM (for ZLA) and 55.3 μM (for ZLB). In parallel, molecular docking analysis showed that they are capable of interacting with both the catalytic and peripheral anionic sites of AChE. Furthermore, they exhibited abilities to complex metal ions such as Cu(II) and Zn(II), and inhibit Aβ aggregation triggered by these metals. Collectively, these results suggest that ZLA and ZLB may act as dual binding site AChEIs with metal-chelating potency, and may be potential leads of value for further study on disease-modifying treatment of AD. -- Highlights: ► Two novel bis-(−)-nor-meptazinol derivatives are designed and synthesized. ► ZLA and ZLB may act as dual binding site AChEIs with metal-chelating potency. ► They are potential leads for disease-modifying treatment of Alzheimer's disease.
Health risk assessments of heavy metal exposure via consumption of marine mussels collected from anthropogenic sites

International Nuclear Information System (INIS)

Yap, Chee Kong; Cheng, Wan Hee; Karami, Ali; Ismail, Ahmad

2016-01-01

A total of 40 marine mussel Perna viridis populations collected (2002–2009) from 20 geographical sites located in two busy shipping lanes namely the Straits of Malacca (10 sites; 16 populations) and the Straits of Johore (8 sites; 21 populations) and three populations (2 sites) on the east coast of Peninsular Malaysia, was determined for Cd, Cu, Fe, Ni, Pb and Zn concentrations. In comparison with the maximum permissible limits (MPLs) set by existing food safety guidelines, all metal concentrations found in all the mussel populations were lower than the prescribed MPLs. In terms of the provisional tolerable weekly intake prescribed by the Joint FAO/WHO Expert Committee on Food Additives (JECFA) and oral reference doses (ORDs) by the USEPA, all the studied metals (except for Pb) were unlikely to become the limiting factors or unlikely to pose a risk for the consumption of the mussel populations. The estimated daily intake (EDI) for average level mussel (ALM) and high level mussel (HLM) consumers of mussels was found to be lower than the ORD guidelines for Cd, Cu, Fe, Ni and Zn. Furthermore, the target hazard quotient (THQ) was found to be less than 1 for ALM consumers but higher than 1 for HLM consumers in some sites. Therefore, there were no potential human health risks to the ALM consumers of the mussels. However, for Pb THQ values, the Pb levels in some mussel populations could create a health risk problem. Present results indicate that the consumption amounts of mussels should be limited for minimizing potential health risks of heavy metals to the HLM consumers. - Highlights: • Human health risk assessments of heavy metals in Perna viridis were investigated. • All metals in the mussels were below the established seafood safety guidelines. • Pb in mussels could easily reach the percentage of prescribed PTWI value of Pb. • Potential health risk with Pb exposure was found for the mussel consumers. • Consumption rate of mussels should be limited to
Health risk assessments of heavy metal exposure via consumption of marine mussels collected from anthropogenic sites

Energy Technology Data Exchange (ETDEWEB)

Yap, Chee Kong, E-mail: yapckong@hotmail.com [Department of Biology, Faculty of Science, Universiti Putra Malaysia (UPM), 43400 Serdang, Selangor (Malaysia); Cheng, Wan Hee [Inti International University, Persiaran Perdana BBN, 71800 Nilai, Negeri Sembilan (Malaysia); Karami, Ali [Laboratory of Aquatic Toxicology, Faculty of Medicine and Health Sciences, Universiti Putra Malaysia (UPM), 43400 Serdang, Selangor (Malaysia); Ismail, Ahmad [Department of Biology, Faculty of Science, Universiti Putra Malaysia (UPM), 43400 Serdang, Selangor (Malaysia)

2016-05-15

A total of 40 marine mussel Perna viridis populations collected (2002–2009) from 20 geographical sites located in two busy shipping lanes namely the Straits of Malacca (10 sites; 16 populations) and the Straits of Johore (8 sites; 21 populations) and three populations (2 sites) on the east coast of Peninsular Malaysia, was determined for Cd, Cu, Fe, Ni, Pb and Zn concentrations. In comparison with the maximum permissible limits (MPLs) set by existing food safety guidelines, all metal concentrations found in all the mussel populations were lower than the prescribed MPLs. In terms of the provisional tolerable weekly intake prescribed by the Joint FAO/WHO Expert Committee on Food Additives (JECFA) and oral reference doses (ORDs) by the USEPA, all the studied metals (except for Pb) were unlikely to become the limiting factors or unlikely to pose a risk for the consumption of the mussel populations. The estimated daily intake (EDI) for average level mussel (ALM) and high level mussel (HLM) consumers of mussels was found to be lower than the ORD guidelines for Cd, Cu, Fe, Ni and Zn. Furthermore, the target hazard quotient (THQ) was found to be less than 1 for ALM consumers but higher than 1 for HLM consumers in some sites. Therefore, there were no potential human health risks to the ALM consumers of the mussels. However, for Pb THQ values, the Pb levels in some mussel populations could create a health risk problem. Present results indicate that the consumption amounts of mussels should be limited for minimizing potential health risks of heavy metals to the HLM consumers. - Highlights: • Human health risk assessments of heavy metals in Perna viridis were investigated. • All metals in the mussels were below the established seafood safety guidelines. • Pb in mussels could easily reach the percentage of prescribed PTWI value of Pb. • Potential health risk with Pb exposure was found for the mussel consumers. • Consumption rate of mussels should be limited to
Metallic surfaces decontamination by using laser light

International Nuclear Information System (INIS)

Moggia, Fabrice; Lecardonnel, Xavier

2013-01-01

Metal surface cleaning appears to be one of the major priorities for industries especially for nuclear industries. The research and the development of a new technology that is able to meet the actual requirements (i.e. waste volume minimization, liquid effluents and chemicals free process...) seems to be the main commitment. Currently, a wide panel of technologies already exists (e.g. blasting, disk sander, electro-decontamination...) but for some of them, the efficiency is limited (e.g, Dry Ice blasting) and for others, the wastes production (liquid and/or solid) remains an important issue. One answer could be the use of a LASER light process. Since a couple of years, the Clean- Up Business Unit of the AREVA group investigates this decontamination technology. Many tests have been already performed in inactive (i.e. on simulants such as paints, inks, resins, metallic oxides) or active conditions (i.e. pieces covered with a thick metallic oxide layer and metallic pieces covered with grease). The paper will describe the results obtained in term of decontamination efficiency during all our validation process. Metallographic characterizations (i.e. SEM, X-ray scattering) and radiological analysis will be provided. We will also focus our paper on the future deployment of the LASER technology and its commercial use at La Hague reprocessing facility in 2013. (authors)
Influence of defects on the adhesion of transition metals on non-polar MgO(001) surface: comparative theoretical analysis

International Nuclear Information System (INIS)

Zhukovskii, Yu.F.; Kotomin, E.A.

2004-01-01

Full text: First principles simulations were performed for noble (Ag) and transition (Cu) atoms adsorbed on regular and defective MgO(001) substrate [1]. Both metal atoms and surface O vacancies (F s centers) were distributed uniformly with one Ag (Cu) atom or F 2 defect per 2x2 surface supercell. Surface O 2- ions are the energetically more preferable for metal atom adsorption on a regular substrate as compared to Mg 2+ ions. The nature of the interaction between Ag or Cu adatoms and a defectless MgO substrate is physisorption (despite the difference in the adsorption energies: 0.62 eV vs. 0.39 eV per Cu and Ag adatom, respectively). Above the F s centers, metal atoms are bounded much stronger as compared with the regular O 2- sites (2.4 eV vs. 2.1 eV per Cu and Ag adatoms, respectively). This is accompanied by a substantial charge transfer towards each adatom (Δq Cu = 0.41 e and Δq Ag = 0.32 e) as well as a formation of partly covalent Me-F s bonds across the interface (Mulliken bond populations p Cu-F s = 0.25 e and p Ag-F s = 0.33 e). Thus, adsorption of transition metal atom on the defective MgO(001) substrate clearly indicates a strong electrostatic bonding because of the considerable interfacial charge redistribution. [1] Yu.F. Zhukovskii, E.A. Kotomin, and G. Borstel, Adsorption of single Ag and Cu atoms on regular and defective MgO(001) substrates: an ab initio study - Vacuum, 73 (2004) in press

Making metals transparency for white light by surface plasmons

Science.gov (United States)

Peng, Ru-Wen; Huang, Xian-Rong; Fan, Ren-Hao; Li, Jia; Hu, Qing; Wang, Mu

2012-02-01

We demonstrate both experimentally and theoretically that metallic gratings consisting of narrow slits become transparent for extremely broad bandwidths under oblique incidence. This phenomenon can be explained by a concrete picture in which the incident wave drives free electrons on the conducting surfaces and part of the slit walls to form surface plasmons (SPs). The SPs then propagate on the slit walls but are abruptly discontinued by the bottom edges to form oscillating charges that emit the transmitted wave. This picture explicitly demonstrates the conversion between light and SPs and indicates clear guidelines for enhancing SP excitation and propagation. Making structured metals transparent may lead to a variety of applications. References: Xian-Rong Huang, Ru-Wen Peng, and Ren-Hao Fan, Phys. Rev. Lett. (2010)105, 243901; and Ren-Hao Fan, Ru-Wen Peng, Xian-Rong Huang, Jia Li, Qing Hu, and Mu Wang, manuscript prepared(2011).
Research of state of metal welded joint by deformation and corrosion surface projection parameters

Directory of Open Access Journals (Sweden)

Demchenko Maria Vyacheslavovna

2017-10-01

Full Text Available At industrial enterprises in building structures and equipment one can see corrosion damage, as well as damage accumulated during operation period. The areas of stress concentration are welded joints as their structure is heterogeneous. From the point of view of the scale hierarchy, the welded joint represents the welded and base metal zones at the meso-macrolevel, the weld zone, the thermal zone, the base metal at the micro-mesolevel, the grain constituents at the nano-microlevel. Borders are the stress concentrators at different scale levels, thus they becomes the most dangerous places of metal structure. Modeling by the molecular dynamics method at the atomic level has shown nanocracks initiation in triple junctions of grain boundaries and on the ledges of the grain boundaries. Due to active development of nanotechnology, it became possible to evaluate the state of the weld metal at the nanoscale, where irreversible changes take place from the very beginning. Existing methods of nondestructive testing can detect damage only at the meso- and macrolevel. Modern equipment makes it possible to use other methods of control and approaches. For example, according to GOST R55046-2012 and R57223-2016, the analysis of the parameters of the surface projection deformation performed by confocal laser scanning microscopy should be taken into account when the evaluation of state of metal pipelines is carried out. However, there is a problem to monitore it due to various factors affecting the surface during operation. The paper proposes an additional method to estimate the state of weld metal at any stage of deformation that uses 3D analysis of the parameters of the «artificial» corrosion relief of surface. During the operation period changes in the stress-strain state and structure of the metal take place, as the result the character and depth of etching of the grains of the structural components and their boundaries change too. Evaluation of the
Geochemical and mineralogical study of a site severely polluted with heavy metals (Maatheide, Lommel, Belgium)

Science.gov (United States)

Horckmans, L.; Swennen, R.; Deckers, J.

2006-07-01

The former zinc smelter site ‘de Maatheide’ in Lommel (Belgium) was severely polluted with heavy metals and the pollution spread into the surroundings by rain water leaching and wind transportation. This study focuses on the processes of immobilization and natural attenuation that took place on the site. Three important factors were found. Firstly, the high pH values (pH 7-8) in the topsoil influence the mobility of heavy metals. Secondly, the spodic horizons below the polluted top layer seem to accumulate heavy metals, thereby slowing down their release into the environment. Finally, the glassy phases and iron oxi/hydroxides that are present can encapsulate heavy metals during their formation/recrystallization, thereby immobilizing them. An additional shielding effect results from the reaction rims of goethite around the contaminant phases, which partially inhibit the weathering process and release of contaminants. This shielding effect is an important factor to take into account when modelling contaminant release.
Formerly utilized MED/AEC sites remedial action program. Radiological survey of the former Horizons, Inc., metal handling facility, Cleveland, Ohio. Final report

International Nuclear Information System (INIS)

Leggett, R.W.; Cottrell, W.D.; Shinpaugh, W.H.; Doane, R.W.; Haywood, F.F.; Johnson, W.M.

1979-02-01

The results of a radiological survey of the former Horizons, Inc., metal handling facility in Cleveland, Ohio, are presented in this report. During the 1940's and early 1950's, two of the three buildings on this site (Buildings B and C) were used for the production of granular thorium metal. The survey included measurements related to the following: fixed and transferable alpha and beta-gamma contamination levels on the surfaces in Buildings B and C and on the roofs of these buildings; external gamma radiation levels at 1 m above the floors and grounds on and near the property; radionuclide concentrations in soil, water, and other materials collected from surfaces and drains inside Buildings B and C, from beneath the floor in Building C, and from outdoor locations on and near the site; and thoron ( 220 Rn) daughter concentrations in the air in Buildings B and C. Elevated concentrations of 232 Th, 228 Ra, 228 Th, and 230 Th were found in some samples. Alpha and beta-gamma contamination levels exceeded applicable guideline limits in some areas of Buildings B and C. External gamma radiation levels, approximately 10 times the average background level, were measured at isolated points in and near Building B. Thorium B ( 212 Pb) concentrations in air in Building B were near the Radioactivity Concentration Guide (RCG) level. Most of the elevated radiation levels were found indoors in areas presently used for storage. Outdoors on and near the site, significant radiation levels were found only near the east wall of Building B
Effect of metallic and hyperbolic metamaterial surfaces on electric and magnetic dipole emission transitions

DEFF Research Database (Denmark)

Ni, X.; Naik, G. V.; Kildishev, A. V.

2011-01-01

Spontaneous emission patterns of electric and magnetic dipoles on different metallic surfaces and a hyperbolic metamaterial (HMM) surface were simulated using the dyadic Green’s function technique. The theoretical approach was verified by experimental results obtained by measuring angular......-dependent emission spectra of europium ions on top of different films. The results show the modified behavior of electric and magnetic dipoles on metallic and HMM surfaces. The results of numerical calculations agree well with experimental data....
Stepwise magnetic-geochemical approach for efficient assessment of heavy metal polluted sites

Science.gov (United States)

Appel, E.; Rösler, W.; Ojha, G.

2012-04-01

Previous studies have shown that magnetometry can outline the distribution of fly ash deposition in the surroundings of coal-burning power plants and steel industries. Especially the easy-to-measure magnetic susceptibility (MS) is capable to act as a proxy for heavy metal (HM) pollution caused by such kind of point source pollution. Here we present a demonstration project around the coal-burning power plant complex "Schwarze Pumpe" in eastern Germany. Before reunification of West and East Germany huge amounts of HM pollutants were emitted from the "Schwarze Pumpe" into the environment by both fly ash emission and dumped clinker. The project has been conducted as part of the TASK Centre of Competence which aims at bringing new innovative techniques closer to the market. Our project combines in situ and laboratory MS measurements and HM analyses in order to demonstrate the efficiency of a stepwise approach for site assessment of HM pollution around point sources of fly-ash emission and deposition into soil. The following scenario is played through: We assume that the "true" spatial distribution of HM pollution (given by the pollution load index PLI comprising Fe, Zn, Pb, and Cu) is represented by our entire set of 85 measured samples (XRF analyses) from forest sites around the "Schwarze Pumpe". Surface MS data (collected with a Bartington MS2D) and in situ vertical MS sections (logged by an SM400 instrument) are used to determine a qualitative overview of potentially higher and lower polluted areas. A suite of spatial HM distribution maps obtained by random selections of 30 out of the 85 analysed sites is compared to the HM map obtained from a targeted 30-sites-selection based on pre-information from the MS results. The PLI distribution map obtained from the targeted 30-sites-selection shows all essential details of the "true" pollution map, while the different random 30-sites-selections miss important features. This comparison shows that, for the same cost
Stripping scattering of fast atoms on surfaces of metal-oxide crystals and ultrathin films

International Nuclear Information System (INIS)

Blauth, David

2010-01-01

In the framework of the present dissertation the interactions of fast atoms with surfaces of bulk oxides, metals and thin films on metals were studied. The experiments were performed in the regime of grazing incidence of atoms with energies of some keV. The advantage of this scattering geometry is the high surface sensibility and thus the possibility to determine the crystallographic and electronic characteristics of the topmost surface layer. In addition to these experiments, the energy loss and the electron emission induced by scattered projectiles was investigated. The energy for electron emission and exciton excitation on Alumina/NiAl(110) and SiO 2 /Mo(112) are determined. By detection of the number of projectile induced emitted electrons as function of azimuthal angle for the rotation of the target surface, the geometrical structure of atoms forming the topmost layer of different adsorbate films on metal surfaces where determined via ion beam triangulation. (orig.)
Surface coating affects behavior of metallic nanoparticles in a biological environment

Directory of Open Access Journals (Sweden)

Darija Domazet Jurašin

2016-02-01

Full Text Available Silver (AgNPs and maghemite, i.e., superparamagnetic iron oxide nanoparticles (SPIONs are promising candidates for new medical applications, which implies the need for strict information regarding their physicochemical characteristics and behavior in a biological environment. The currently developed AgNPs and SPIONs encompass a myriad of sizes and surface coatings, which affect NPs properties and may improve their biocompatibility. This study is aimed to evaluate the effects of surface coating on colloidal stability and behavior of AgNPs and SPIONs in modelled biological environments using dynamic and electrophoretic light scattering techniques, as well as transmission electron microscopy to visualize the behavior of the NP. Three dispersion media were investigated: ultrapure water (UW, biological cell culture medium without addition of protein (BM, and BM supplemented with common serum protein (BMP. The obtained results showed that different coating agents on AgNPs and SPIONs produced different stabilities in the same biological media. The combination of negative charge and high adsorption strength of coating agents proved to be important for achieving good stability of metallic NPs in electrolyte-rich fluids. Most importantly, the presence of proteins provided colloidal stabilization to metallic NPs in biological fluids regardless of their chemical composition, surface structure and surface charge. In addition, an assessment of AgNP and SPION behavior in real biological fluids, rat whole blood (WhBl and blood plasma (BlPl, revealed that the composition of a biological medium is crucial for the colloidal stability and type of metallic NP transformation. Our results highlight the importance of physicochemical characterization and stability evaluation of metallic NPs in a variety of biological systems including as many NP properties as possible.
Metallic surface description in a localized representation

International Nuclear Information System (INIS)

Kirtman, B.; Melo, C.P. de

1981-01-01

Binding orders for a three-dimensional system (cubium) are obtained. The study of convergence of these values with the progressive interiorization in the solid gives an indication of the perturbation magnitude introduced with the surface creation. Following Goddard's hint in which the nickel reactivity is denominated by the 4s orbitals, such a model is applied to this metal. The base transformation of atomic orbitals for the correspondent Wannier functions is obtained. (L.C.) [pt
Surface flow in severe plastic deformation of metals by sliding

International Nuclear Information System (INIS)

Mahato, A; Yeung, H; Chandrasekar, S; Guo, Y

2014-01-01

An in situ study of flow in severe plastic deformation (SPD) of surfaces by sliding is described. The model system – a hard wedge sliding against a metal surface – is representative of surface conditioning processes typical of manufacturing, and sliding wear. By combining high speed imaging and image analysis, important characteristics of unconstrained plastic flow inherent to this system are highlighted. These characteristics include development of large plastic strains on the surface and in the subsurface by laminar type flow, unusual fluid-like flow with vortex formation and surface folding, and defect and particle generation. Preferred conditions, as well as undesirable regimes, for surface SPD are demarcated. Implications for surface conditioning in manufacturing, modeling of surface deformation and wear are discussed
Metal concentration at surface water using multivariate analysis and ...

African Journals Online (AJOL)

Metal concentration at surface water using multivariate analysis and human health risk assessment. F Azaman, H Juahir, K Yunus, A Azid, S.I. Khalit, A.D. Mustafa, M.A. Amran, C.N.C. Hasnam, M.Z.A.Z. Abidin, M.A.M. Yusri ...
Scaling Relationships for Adsorption Energies of C2 Hydrocarbons on Transition Metal Surfaces

Energy Technology Data Exchange (ETDEWEB)

Jones, G

2011-08-18

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

Science.gov (United States)

Tiwari, Ashwani Kumar; De Maio, Marina; Singh, Prasoon Kumar; Mahato, Mukesh Kumar

2015-09-01

Twenty eight surface water samples were collected from fourteen sites of the West Bokaro coalfield, India. The concentration of Mn, Cu, Zn, Ni, As, Se, Al, Cr, Ba, and Fe were analyzed using inductively coupled plasma mass spectrometry (ICP-MS) for determination of seasonal fluctuations and a heavy metal pollution index (HPI). The HPI values were below the critical pollution index value of 100. Metal concentrations were higher in the pre-monsoon season as compared to the post-monsoon season. The Zn, Ni, Mn, As, Se, Al, Ba, Cu, and Cr concentrations did not exceed the desirable limits for drinking water in either season. However, at many sites, concentrations of Fe were above the desirable limit of the WHO (2006) and Indian drinking water standard (BIS 2003) in both seasons. The water that contained higher concentrations of Fe would require treatment before domestic use.
Surface plasmons in metallic nanoparticles: fundamentals and applications

International Nuclear Information System (INIS)

Garcia, M A

2011-01-01

The excitation of surface plasmons (SPs) in metallic nanoparticles (NPs) induces optical properties hardly achievable in other optical materials, yielding a wide range of applications in many fields. This review presents an overview of SPs in metallic NPs. The concept of SPs in NPs is qualitatively described using a comparison with simple linear oscillators. The mathematical models to carry on calculations on SPs are presented as well as the most common approximations. The different parameters governing the features of SPs and their effect on the optical properties of the materials are reviewed. Finally, applications of SPs in different fields such as biomedicine, energy, environment protection and information technology are revised. (topical review)
Surface plasmons in metallic nanoparticles: fundamentals and applications

Energy Technology Data Exchange (ETDEWEB)

Garcia, M A, E-mail: magarcia@icv.csic.es [Department of Electroceramics, Institute for Ceramic and Glass, CSIC, C/Kelsen 5, 28049 Madrid (Spain) and IMDEA Nanociencia, Madrid 28049 (Spain)

2011-07-20

The excitation of surface plasmons (SPs) in metallic nanoparticles (NPs) induces optical properties hardly achievable in other optical materials, yielding a wide range of applications in many fields. This review presents an overview of SPs in metallic NPs. The concept of SPs in NPs is qualitatively described using a comparison with simple linear oscillators. The mathematical models to carry on calculations on SPs are presented as well as the most common approximations. The different parameters governing the features of SPs and their effect on the optical properties of the materials are reviewed. Finally, applications of SPs in different fields such as biomedicine, energy, environment protection and information technology are revised. (topical review)
Effects of complexing compounds on sorption of metal ions to cement

Energy Technology Data Exchange (ETDEWEB)

Loevgren, Lars [Umeaa Univ. (Sweden). Inorganic chemistry

2005-12-15

This present report is a literature review addressing the effects of complexing ligands on the sorption of radionuclides to solid materials of importance for repositories of radioactive waste. Focus is put on laboratory studies of metal ion adsorption to cement in presence of chelating agents under strongly alkaline conditions. As background information, metal sorption to different mineral and cement phases in ligand free systems is described. Furthermore, surface complexation model (SCM) theories are introduced. According to surface complexation theories these interactions occur at specific binding sites at the particle/water interface. Adsorption of cationic metals is stronger at high pH, and the adsorption of anions occurs preferentially at low pH. The adsorption of ions to mineral surfaces is a result of both chemical bonding and electrostatic attraction between the ions and charged mineral surfaces. By combining uptake data with spectroscopic information the sorption can be explained on a molecular level by structurally sound surface complexation models. Most of the metal sorption studies reviewed are dealing with minerals exhibiting oxygen atoms at their surfaces, mainly oxides of Fe(II,III) and Al(III), and aluminosilicates. Investigations of radionuclides are focused on clay minerals, above all montmorillonite and illite. Which mechanism that is governing the metal ion adsorption to a given mineral is to a large extent depending on the metal adsorbed. For instance, sorption of Ni to montmorillonite can occur by formation of inner-sphere mononuclear surface complexes located at the edges of montmorillonite platelets and by formation of a Ni phyllosilicate phase parallel to montmorillonite layers. Also metal uptake to cement materials can occur by different mechanisms. Cationic metals can both be attached to cement (calcium silicate hydrate, CSH) and hardened cement paste (HCP) by formation of inner-sphere complexes at specific surface sites and by
Effects of pH and phosphate on metal distribution with emphasis on As speciation and mobilization in soils from a lead smelting site

Energy Technology Data Exchange (ETDEWEB)

Impellitteri, Christopher A. [United States Environmental Protection Agency, National Risk Management Research Laboratory, 26 West Martin Luther King Drive, Cincinnati, OH 45268 (United States)]. E-mail: Impellitteri.christopher@epa.gov

2005-06-01

Arsenic in soils from the Asarco lead smelter in East Helena, Montana was characterized by X-ray absorption spectroscopy (XAS). Arsenic oxidation state and geochemical speciation were analyzed as a function of depth (two sampling sites) and surface distribution. These results were compared with intensive desorption/dissolution experiments performed in a pH stat reactor for samples from the site with the highest degree of As heterogeneity. The objectives of the study were to investigate the solid-phase geochemical As speciation, assess the speciation of As in solutions equilibrated with the solids under controlled pH (pH=4 or 6) and Eh (using hydrogen or air) environments, observe the effects of phosphate on the release of As into solution, and examine the effects of phosphate on metal mobility in the systems. Arsenic was predominantly found in the As(V) valence state, though there was evidence that As(III) and As(0) were present also. The dominant geochemical phase was scorodite (FeAsO{sub 4}.2H{sub 2}O). The pH was controlled in the pH stat experiments by the addition of equinormal solutions of monoprotic (HNO{sub 3}), diprotic (H{sub 2}SO{sub 4}), or triprotic (H{sub 3}PO{sub 4}) acids. For many of the divalent metal cations, solution concentrations greatly decreased in the presence of phosphate. Solutions were also analyzed for anions. Evidence exists for sulfate release into solution. More As was released into solution at lower pH. A slight increase in solution arsenate occurs with the addition of phosphate, but the risk posed from the increased desorption/dissolution of As must be weighed against the decrease in solution concentrations of many metals especially Pb. If tailings from this site underwent acidification (e.g., acid mine drainage), in situ sequestration of metals by phosphate could be combined with placement of subsurface permeable reactive barriers for capture of As to reduce the risk associated with arsenic and trace metal mobilization. Results
Ecological risk assessment and source identification for heavy metals in surface sediment from the Liaohe River protected area, China.

Science.gov (United States)

Ke, Xin; Gui, Shaofeng; Huang, Hao; Zhang, Haijun; Wang, Chunyong; Guo, Wei

2017-05-01

Surface sediment samples collected from 19 sites in the Liaohe River protected area were analysed for heavy metals to evaluate their potential ecological risk. The results demonstrated that the degree of pollution from seven heavy metals decreases in the following sequence: cadmium(Cd)>arsenic(As)>copper(Cu)>nickel(Ni)>lead(Pb)>chromium(Cr)>zinc(Zn). The metal speciation analysis indicated that Cd, Pb and Zn were dominated by non-residual fractions and have high mobility and bioavailability, indicating significant anthropogenic sources. Based on the potential ecological risk index (PERI), geo-accumulation index (I geo ) and risk assessment code (RAC), Cd made the most dominant contribution, with a high to very high potential ecological risk being determined in this studied area. Moreover, in reference to the results of multivariate statistical analyses, we deduced that Cd and Zn originated from agriculture sources within the Liaohe River protected area, whereas Cu, Cr and Ni primarily originated from natural sources. Copyright © 2017 Elsevier Ltd. All rights reserved.
Multivariate Analyses of Heavy Metals in Surface Soil Around an Organized Industrial Area in Eskisehir, Turkey.

Science.gov (United States)

Malkoc, S; Yazici, B

2017-02-01

A total of 50 surface industrial area soil in Eskisehir, Turkey were collected and the concentrations of As, Cr, Cd, Co, Cu, Ni, Pb, Zn, Fe and Mg, at 11.34, 95.8, 1.37, 15.28, 33.06, 143.65, 14.34, 78.79 mg/kg, 188.80% and 78.70%, respectively. The EF values for As, Cu, Pb and Zn at a number of sampling sites were found to be the highest among metals. Igeo-index results show that the study area is moderately polluted with respect to As, Cd, Ni. According to guideline values of Turkey Environmental Quality Standard for Soils, there is no problem for Pb, but the Cd values are fairly high. However, Cr, Cu, Ni and Zn values mostly exceed the limits. Cluster analyses suggested that soil the contaminator values are homogenous in those sub classes. The prevention and remediation of the heavy metal soil pollution should focus on these high-risk areas in the future.
Trace metal in surface water and groundwater and its transfer in a Yellow River alluvial fan: Evidence from isotopes and hydrochemistry

Energy Technology Data Exchange (ETDEWEB)

Li, Jing; Li, Fadong, E-mail: lifadong@igsnrr.ac.cn; Liu, Qiang; Zhang, Yan

2014-02-01

Metals are ubiquitous in the environment. The aim of sustainable management of the agro-ecosystem includes ensuring that water continues to fulfill its function in agricultural production, cycling of elements, and as a habitat of numerous organisms. There is no doubt that the influence of large-scale irrigation projects has impacted the regional surface–groundwater interactions in the North China Plain (NCP). Given these concerns, the aim of this study is to evaluate the pollution, identify the sources of trace metals, analyze the influence of surface–groundwater interactions on trace metal distribution, and to propose urgent management strategies for trace metals in the agriculture area in China. Trace metals, hydrochemical indicators (EC, pH, concentrations of Na{sup +}, K{sup +}, Mg{sup 2+}, Ca{sup 2+}, Cl{sup −}, SO{sub 4}{sup 2−}, and HCO{sub 3}{sup −}) and stable isotopic composition (δ{sup 18}O and δ{sup 2}H) were determined for surface water (SW) and groundwater (GW) samples. Trace metals were detected in all samples. Concentrations of Fe, Se, B, Mn, and Zn in SW exceeded drinking water standards by 14.8%, 29.6%, 25.9%, 11.1%, and 14.8% higher, respectively, and by 3.8%, 23.1%, 11.5%, 11.5%, and 7.7% in GW. The pollution of trace metals in surface water was more serious than that in groundwater, and was also higher than in common irrigation areas in NCP. Trace metals were found to have a combined origin of geogenic and agriculture and industrial activities. Their distribution varied greatly and exhibited a certain relationship with the water flow direction, with the exception of a number of singular sites. Hydrochemical and environmental isotopic evidence indicates surface–groundwater interactions influence the spatial distribution of trace metal in the study area. Facing the ongoing serious pollution, management practices for source control, improved control technologies, and the construction of a monitoring net to warn of increased risk are

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