The application of Car-Parrinello molecular dynamics to the study of tetrahedral amorphous carbon

International Nuclear Information System (INIS)

McKenzie, D.R.; McCulloch, D.G.; Goringe, C.M.

1998-01-01

The Car-Parrinello method for carrying out molecular dynamics enables the forces between atoms to be calculated by solving Schroedinger's equation for the valence electrons using Density Functional Theory. The method is capable of giving good structural predictions for amorphous network solids by quenching from the melt, even in situations where the bonding changes from one site to another. In amorphous carbon where, depending on its environment, carbon may show sp 2 or sp 3 bonds. The method is applied here to the study of network solids using the example of tetrahedral amorphous carbon

Ab initio investigation of inversion in tetrahedral molecules of transition metals

International Nuclear Information System (INIS)

Musaev, D.G.; Boldyrev, A.I.

1984-01-01

Tetrahedral and plane square configurations of TiH 4 , TiF 4 , molecules and ScH 4 - , ScF 4 - anions are optimized in the frames of Hartree-Fock-Roothaan method with the bases of DZHD and DZRS type. Inversion barriers of tetrahedral molecules through plane sqUare configuration which make up 46; 70; 27 and 39 kcal/mol in TiH 4 , TiF 4 , SoH 4 - and ScF 4 - respectively are estimated. Correlation diagrams under inversion are analyzed

DNA tetrahedral scaffolds-based platform for the construction of electrochemiluminescence biosensor.

Science.gov (United States)

Feng, Qiu-Mei; Zhou, Zhen; Li, Mei-Xing; Zhao, Wei; Xu, Jing-Juan; Chen, Hong-Yuan

2017-04-15

Proximal metallic nanoparticles (NPs) could quench the electrochemiluminescence (ECL) emission of semiconductor quantum dots (QDs) due to Förster energy transfer (FRET), but at a certain distance, the coupling of light-emission with surface plasmon resonance (SPR) result in enhanced ECL. Thus, the modification strategies and distances control between QDs and metallic NPs are critical for the ECL intensity of QDs. In this strategy, a SPR enhanced ECL sensor based on DNA tetrahedral scaffolds modified platform was reported for the detection of telomerase activity. Due to the rigid three-dimensional structure, DNA tetrahedral scaffolds grafting on the electrode surface could accurately modulate the distance between CdS QDs and luminol labelled gold nanoparticles (L-Au NPs), meanwhile provide an enhanced spatial dimension and accessibility for the assembly of multiple L-Au NPs. The ECL intensities of both CdS QDs (-1.25V vs. SCE) and luminol (+0.33V vs. SCE) gradually increased along with the formation of multiple L-Au NPs at the vertex of DNA tetrahedral scaffolds induced by telomerase, bringing in a dual-potential ECL analysis. The proposed method showed high sensitivity for the identification of telomerase and was successfully applied for the differentiation of cancer cells from normal cells. This work suggests that DNA tetrahedral scaffolds could serve as an excellent choice for the construction of SPR-ECL system. Copyright © 2016 Elsevier B.V. All rights reserved.

Chemical bonding modifications of tetrahedral amorphous carbon and nitrogenated tetrahedral amorphous carbon films induced by rapid thermal annealing

International Nuclear Information System (INIS)

McCann, R.; Roy, S.S.; Papakonstantinou, P.; Bain, M.F.; Gamble, H.S.; McLaughlin, J.A.

2005-01-01

Tetrahedral amorphous carbon (ta-C) and nitrogenated tetrahedral amorphous carbon films (ta-CN x ), deposited by double bend off plane Filtered Vacuum Cathodic Arc were annealed up to 1000 deg. C in flowing argon for 2 min. Modifications on the chemical bonding structure of the rapidly annealed films, as a function of temperature, were investigated by NEXAFS, X-ray photoelectron and Raman spectroscopies. The interpretation of these spectra is discussed. The results demonstrate that the structure of undoped ta-C films prepared at floating potential with an arc current of 80 A remains stable up to 900 deg. C, whereas that of ta-CN x containing 12 at.% nitrogen is stable up to 700 deg. C. At higher temperatures, all the spectra indicated the predominant formation of graphitic carbon. Through NEXAFS studies, we clearly observed three π* resonance peaks at the ' N K edge structure. The origin of these three peaks is not well established in the literature. However our temperature-dependant study ascertained that the first peak originates from C=N bonds and the third peak originates from the incorporation of nitrogen into the graphite like domains

A computational study of nodal-based tetrahedral element behavior.

Energy Technology Data Exchange (ETDEWEB)

Gullerud, Arne S.

2010-09-01

This report explores the behavior of nodal-based tetrahedral elements on six sample problems, and compares their solution to that of a corresponding hexahedral mesh. The problems demonstrate that while certain aspects of the solution field for the nodal-based tetrahedrons provide good quality results, the pressure field tends to be of poor quality. Results appear to be strongly affected by the connectivity of the tetrahedral elements. Simulations that rely on the pressure field, such as those which use material models that are dependent on the pressure (e.g. equation-of-state models), can generate erroneous results. Remeshing can also be strongly affected by these issues. The nodal-based test elements as they currently stand need to be used with caution to ensure that their numerical deficiencies do not adversely affect critical values of interest.

The Effect of Titanium Tetrahedral Coordination of Silica-Titania Catalyst on the Physical Properties of Biodiesel

Science.gov (United States)

Nizar, U. K.; Hidayatul, J.; Sundari, R.; Bahrizal, B.; Amran, A.; Putra, A.; Latisma DJ, L.; Dewata, I.

2018-04-01

This study investigates the correlation of the number of titanium tetrahedral coordination and biodiesel production. The solid-state method has been used to synthesis of silica-titania catalyst for biodiesel production, which the precursors, i.e. silica and titania commercials were heated in the temperature range of 450 - 550°C. The characterization of the prepared silica-titania has been studied by FTIR and DR UV-Vis in order to identify and calculate the presence of titanium tetrahedral coordination in silica-titania catalyst. A very small peak at around 950 cm-1 indicated the presence of titanium tetrahedral coordination through Si–O–Ti bonds. Deconvolution of DR UV-Vis spectra showed the coordination of titanium in silica-titania is more octahedral. However, the number of titanium tetrahedral coordination of the prepared silica-titania is found higher than that of TiO2 commercial. The increasing of titanium tetrahedral fraction in silica-titania affects the physical properties of biodiesel in terms of boiling point, viscosity and density, which is produced by the reaction of methanol and palm oil.

A geometric toolbox for tetrahedral finite element partitions

NARCIS (Netherlands)

Brandts, J.; Korotov, S.; Křížek, M.; Axelsson, O.; Karátson, J.

2011-01-01

In this work we present a survey of some geometric results on tetrahedral partitions and their refinements in a unified manner. They can be used for mesh generation and adaptivity in practical calculations by the finite element method (FEM), and also in theoretical finite element (FE) analysis.

Spectroscopic criteria for identification of nuclear tetrahedral and octahedral symmetries: Illustration on a rare earth nucleus

Science.gov (United States)

Dudek, J.; Curien, D.; Dedes, I.; Mazurek, K.; Tagami, S.; Shimizu, Y. R.; Bhattacharjee, T.

2018-02-01

We formulate criteria for identification of the nuclear tetrahedral and octahedral symmetries and illustrate for the first time their possible realization in a rare earth nucleus 152Sm. We use realistic nuclear mean-field theory calculations with the phenomenological macroscopic-microscopic method, the Gogny-Hartree-Fock-Bogoliubov approach, and general point-group theory considerations to guide the experimental identification method as illustrated on published experimental data. Following group theory the examined symmetries imply the existence of exotic rotational bands on whose properties the spectroscopic identification criteria are based. These bands may contain simultaneously states of even and odd spins, of both parities and parity doublets at well-defined spins. In the exact-symmetry limit those bands involve no E 2 transitions. We show that coexistence of tetrahedral and octahedral deformations is essential when calculating the corresponding energy minima and surrounding barriers, and that it has a characteristic impact on the rotational bands. The symmetries in question imply the existence of long-lived shape isomers and, possibly, new waiting point nuclei—impacting the nucleosynthesis processes in astrophysics—and an existence of 16-fold degenerate particle-hole excitations. Specifically designed experiments which aim at strengthening the identification arguments are briefly discussed.

Determination of the population of octahedral and tetrahedral interstitials in zirconium hydrides

International Nuclear Information System (INIS)

Fedorov, V.M.; Gogava, V.V.; Shilo, S.I.; Biryukova, E.A.

1983-01-01

Results of neutron investigations of ZrHsub(1.66), ZrHsub(1.75) and ZrHsub(1.98) zirconium hydrides are presented. Investigations were conducted using plane polycrystal samples by multidetector system of scattered neutron detection. Neutron diffraction method was used to determine the number of interstitial hydrogen atoms in interstitials of the lattice cell in the case of statistic atom distribution. The numbers of interstitial atoms in octahedral interstitials for zirconium hydrides were determined experimentally; the difference of potential energies of hydrogen atoms in octa- and tetrahedral interstitials was determined as well. It is shown that experimentally determined difference of potential energies of hydrogen atoms, occupying octa- and tetrahedral positions in investigated zirconium hydrides results at room temperature in the pretailing occupation of tetrahedral interstitials by hydrogen atoms (85-90%); the occupation number grows with temperature decrease and the ordering of interstitial vacancies with formation of hydrogen superstructure takes place at low temperatures

Environmentally stable adsorbent of tetrahedral silica and non-tetrahedral alumina for removal and recovery of malachite green dye from aqueous solution

International Nuclear Information System (INIS)

Kannan, Chellapandian; Sundaram, Thiravium; Palvannan, Thayumanavan

2008-01-01

The conventional adsorbents like activated carbon, agricultural wastes, molecular sieves, etc., used for dye adsorption are unstable in the environment for long time, and hence the adsorbed dyes again gets liberated and pollute the environment. To avoid this problem, environmentally stable adsorbent of silica and alumina should be employed for malachite green adsorption. The adsorbents were characterized by Fourier transformed infrared spectroscopy (FT-IR) to confirm the tetrahedral framework of silica and non-tetrahedral framework of alumina. The adsorption equilibrium of dye on alumina and silica were 4 and 5 h, respectively, this less adsorption time on alumina might be due to the less activation energy on alumina (63.46 kJ mol -1 ) than silica (69.93 kJ mol -1 ). Adsorption increased with increase of temperature on silica, in alumina, adsorption increased up to 60 deg. C, and further increase of temperature decreased the adsorption due to the structural change of non-tetrahedral alumina in water. The optimum pH for dye adsorption on alumina was 5 and silica was 6. The dye adsorptions on both adsorbents followed pseudo-second-order kinetics. The adsorption well matched with Langmuir and Freundlich adsorption isotherms and found that adsorption capacity on alumina was more than silica. The thermodynamic studies proved that the adsorption was endothermic and chemisorptions (ΔH o > 40 kJ mol -1 ) on alumina and silica. Recovery of dye on alumina and silica were studied from 30 to 90 deg. C and observed that 52% of dye was recovered from alumina and only 3.5% from silica. The less recovery on silica proved the strong adsorption of dye on silica than alumina

Environmentally stable adsorbent of tetrahedral silica and non-tetrahedral alumina for removal and recovery of malachite green dye from aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Kannan, Chellapandian [Department of Chemistry, Periyar University, Salem 636011, Tamilnadu (India)], E-mail: chellapandiankannan@gmail.com; Sundaram, Thiravium [Department of Chemistry, Periyar University, Salem 636011, Tamilnadu (India); Palvannan, Thayumanavan [Department of Biochemistry, Periyar University, Salem 636011, Tamilnadu (India)

2008-08-30

The conventional adsorbents like activated carbon, agricultural wastes, molecular sieves, etc., used for dye adsorption are unstable in the environment for long time, and hence the adsorbed dyes again gets liberated and pollute the environment. To avoid this problem, environmentally stable adsorbent of silica and alumina should be employed for malachite green adsorption. The adsorbents were characterized by Fourier transformed infrared spectroscopy (FT-IR) to confirm the tetrahedral framework of silica and non-tetrahedral framework of alumina. The adsorption equilibrium of dye on alumina and silica were 4 and 5 h, respectively, this less adsorption time on alumina might be due to the less activation energy on alumina (63.46 kJ mol{sup -1}) than silica (69.93 kJ mol{sup -1}). Adsorption increased with increase of temperature on silica, in alumina, adsorption increased up to 60 deg. C, and further increase of temperature decreased the adsorption due to the structural change of non-tetrahedral alumina in water. The optimum pH for dye adsorption on alumina was 5 and silica was 6. The dye adsorptions on both adsorbents followed pseudo-second-order kinetics. The adsorption well matched with Langmuir and Freundlich adsorption isotherms and found that adsorption capacity on alumina was more than silica. The thermodynamic studies proved that the adsorption was endothermic and chemisorptions ({delta}H{sup o} > 40 kJ mol{sup -1}) on alumina and silica. Recovery of dye on alumina and silica were studied from 30 to 90 deg. C and observed that 52% of dye was recovered from alumina and only 3.5% from silica. The less recovery on silica proved the strong adsorption of dye on silica than alumina.

Insights into Substrate Specificity and Metal Activation of Mammalian Tetrahedral Aspartyl Aminopeptidase

Energy Technology Data Exchange (ETDEWEB)

Chen, Yuanyuan; Farquhar, Erik R.; Chance, Mark R.; Palczewski, Krzysztof; Kiser, Philip D. (Case Western)

2012-07-11

Aminopeptidases are key enzymes involved in the regulation of signaling peptide activity. Here, we present a detailed biochemical and structural analysis of an evolutionary highly conserved aspartyl aminopeptidase called DNPEP. We show that this peptidase can cleave multiple physiologically relevant substrates, including angiotensins, and thus may play a key role in regulating neuron function. Using a combination of x-ray crystallography, x-ray absorption spectroscopy, and single particle electron microscopy analysis, we provide the first detailed structural analysis of DNPEP. We show that this enzyme possesses a binuclear zinc-active site in which one of the zinc ions is readily exchangeable with other divalent cations such as manganese, which strongly stimulates the enzymatic activity of the protein. The plasticity of this metal-binding site suggests a mechanism for regulation of DNPEP activity. We also demonstrate that DNPEP assembles into a functionally relevant tetrahedral complex that restricts access of peptide substrates to the active site. These structural data allow rationalization of the enzyme's preference for short peptide substrates with N-terminal acidic residues. This study provides a structural basis for understanding the physiology and bioinorganic chemistry of DNPEP and other M18 family aminopeptidases.

Identification of the interstitial Mn site in ferromagnetic (Ga,Mn)As

CERN Document Server

AUTHOR|(CDS)2093111; Wahl, Ulrich; Augustyns, Valerie; Silva, Daniel; Granadeiro Costa, Angelo Rafael; Houben, K; Edmonds, Kevin W; Gallagher, BL; Campion, RP; Van Bael, MJ; Castro Ribeiro Da Silva, Manuel; Martins Correia, Joao; Esteves De Araujo, Araujo Joao Pedro; Temst, Kristiaan; Vantomme, André; Da Costa Pereira, Lino Miguel

2015-01-01

We determined the lattice location of Mn in ferromagnetic (Ga,Mn)As using the electron emission channeling technique. We show that interstitial Mn occupies the tetrahedral site with As nearest neighbors (TAs) both before and after thermal annealing at 200 °C, whereas the occupancy of the tetrahedral site with Ga nearest neighbors (TGa) is negligible. TAs is therefore the energetically favorable site for interstitial Mn in isolated form as well as when forming complexes with substitutional Mn. These results shed new light on the long standing controversy regarding TAs versus TGa occupancy of interstitial Mn in (Ga,Mn)As.

Tetrahedral hydrocarbon nanoparticles in space: X-ray spectra

Science.gov (United States)

Bilalbegović, G.; Maksimović, A.; Valencic, L. A.

2018-06-01

It has been proposed, or confirmed, that diamond nanoparticles exist in various environments in space: close to active galactic nuclei, in the vicinity of supernovae and pulsars, in the interior of several planets in the Solar system, in carbon planets, and other exoplanets, carbon-rich stars, meteorites, in X-ray active Herbig Ae/Be stars, and in the interstellar medium. Using density functional theory methods, we calculate the carbon K-edge X-ray absorption spectrum of two large tetrahedral nanodiamonds: C26H32 and C51H52. We also study and test our methods on the astrophysical molecule CH4, the smallest C-H tetrahedral structure. A possible detection of nanodiamonds from X-ray spectra by future telescopes, such as the project Arcus, is proposed. Simulated spectra of the diffuse interstellar medium using Cyg X-2 as a source show that nanodiamonds studied in this work can be detected by Arcus, a high-resolution X-ray spectrometer mission selected by NASA for a Phase A concept study.

Site-specific local structure of Mn in artificial manganese ferrite films

International Nuclear Information System (INIS)

Kravtsov, E.; Haskel, D.; Cady, A.; Yang, A.; Vittoria, C.; Harris, V. G.; Zuo, X.

2006-01-01

Diffraction anomalous fine structure (DAFS) spectroscopy has been applied to resolve site-specific Mn local structure in manganese ferrite films grown under nonequilibrium conditions. The DAFS spectra were measured at a number of Bragg reflections in the vicinity of the Mn absorption K edge. The DAFS data analysis done with an iterative Kramers-Kroenig algorithm made it possible to solve separately the local structure around crystallographically inequivalent Mn sites in the unit cell with nominal octahedral and tetrahedral coordination. The strong preference for Mn to be tetrahedrally coordinated in this compound is not only manifested in the relative site occupancies but also in a strong reduction in coordination number for Mn ions at nominal octahedral sites

ALGORITHMS FOR TETRAHEDRAL NETWORK (TEN) GENERATION

Institute of Scientific and Technical Information of China (English)

无

2000-01-01

The Tetrahedral Network(TEN) is a powerful 3-D vector structure in GIS, which has a lot of advantages such as simple structure, fast topological relation processing and rapid visualization. The difficulty of TEN application is automatic creating data structure. Al though a raster algorithm has been introduced by some authors, the problems in accuracy, memory requirement, speed and integrity are still existent. In this paper, the raster algorithm is completed and a vector algorithm is presented after a 3-D data model and structure of TEN have been introducted. Finally, experiment, conclusion and future work are discussed.

Tetrahedral hohlraums at omega

International Nuclear Information System (INIS)

Kyrala, G.A.; Goldman, S.R.; Batha, S.H.; Wallace, J.M.; Klare, K.A.; Schappert, G.T.; Oertel, J.; Turner, R.E.

2000-01-01

We have initiated a study of the usefulness of tetrahedrally illuminated spherical hohlraums, using the Omega laser beams, to drive planar shocks in packages that require indirect drive. A first suite of experiments used spherical hohlraums with a 2-μm thick gold wall surrounded by a 100-μm thick epoxy layer and had an internal diameter of 2.8 mm. Four laser entrance holes each of diameter 700 μm, located on the tips of a regular tetrahedron were used. The shock velocities and the shock uniformities were measured using optical shock break out techniques. The hohlraum x-ray radiation spectrum was also measured using a 10-channel x-ray detector. Tentatively, peak temperatures approaching 195 eV were achieved and shock speeds of 60 μm/ns were measured, when the hohlraum was driven by 22 kJ of 3 ω radiation. (authors)

Calculation of fluctuations and photoemission properties in a tetrahedral-cluster model for an intermediate-valence system

International Nuclear Information System (INIS)

Reich, A.; Falicov, L.M.

1986-01-01

An exact solution of a four-site tetrahedral-crystal model, the smallest face-centered-cubic crystal, is presented in the case of an intermediate-valence system. The model consists of the following: (a) one extended orbital and one localized orbital per atom, (b) an interatomic transfer term between extended orbitals, (c) an interatomic hybridization between the localized and extended orbitals, (d) strong intra-atomic Coulomb repulsion between opposite-spin localized states, and (e) intermediate-strength intra-atomic Coulomb repulsion between the localized and extended states. These competing effects are examined as they manifest themselves in the intermediate-valence, photoemission, inverse-photoemission, and thermodynamic properties

Physics at low spin in the mass 160 region: the search for tetrahedral shapes

International Nuclear Information System (INIS)

Bark, R.A.; Sharpey-Schafer, J.F.; Maliage, S.M.; Madiba, T.E.; Komati, F.S.; Lawrie, E.A.; Lawrie, J.J.; Lindasy, R.; Maine, P.; Mullins, S.M.; Murray, S.H.T.; Ncapayi, N.J.; Ramashidza, T.M.; Smit, F.D.; Vymers, P.

2010-01-01

The low-lying, odd-spin negative parity bands in the mass 160 region have been identified as candidates for the rotation of a tetrahedral shape, as they have very weak in-band E2 transitions. We report the observation of such bands in 160 Yb and 154 Gd. They are crossed by 2 quasiparticle bands which allow band mixing calculations to be carried out to derive relative quadrupole moments. However, those studied are not consistent with zero, as required for tetrahedral shape. The aligned angular momenta of the bands suggest an octupole vibrational assignment.

Synthesis of a molecularly defined single-active site heterogeneous catalyst for selective oxidation of N-heterocycles.

Science.gov (United States)

Zhang, Yujing; Pang, Shaofeng; Wei, Zhihong; Jiao, Haijun; Dai, Xingchao; Wang, Hongli; Shi, Feng

2018-04-13

Generally, a homogeneous catalyst exhibits good activity and defined active sites but it is difficult to recycle. Meanwhile, a heterogeneous catalyst can easily be reused but its active site is difficult to reveal. It is interesting to bridge the gap between homogeneous and heterogeneous catalysis via controllable construction of a heterogeneous catalyst containing defined active sites. Here, we report that a molecularly defined, single-active site heterogeneous catalyst has been designed and prepared via the oxidative polymerization of maleimide derivatives. These polymaleimide derivatives can be active catalysts for the selective oxidation of heterocyclic compounds to quinoline and indole via the recycling of -C=O and -C-OH groups, which was confirmed by tracing the reaction with GC-MS using maleimide as the catalyst and by FT-IR analysis with polymaleimide as the catalyst. These results might promote the development of heterogeneous catalysts with molecularly defined single active sites exhibiting a comparable activity to homogeneous catalysts.

A tetrapyridine ligand with a rigid tetrahedral core forms metal-organic frameworks with PtS type architecture.

Science.gov (United States)

Caputo, Christopher B; Vukotic, V Nicholas; Sirizzotti, Natalie M; Loeb, Stephen J

2011-08-14

A new tetradentate, pyridine ligand with a rigid tetrahedral core can be prepared in good yield by a cross-coupling methodology. Two metal organic framework structures of Cu(II) with PtS-type topology having a carbon atom as the tetrahedral node have been characterized utilising this ligand. This journal is © The Royal Society of Chemistry 2011

DAFS study of site-specific local structure of Mn in manganese ferrite films

International Nuclear Information System (INIS)

Kravtsov, E.; Haskel, D.; Cady, A.; Yang, A.; Vittoria, C.; Zuo, X.; Harris, V.G.

2006-01-01

Manganese ferrite (MnFe 2 O 4 ) is a well-known magnetic material widely used in electronics for many years. It is well established that its magnetic behavior is strongly influenced by local structural properties of Mn ions, which are distributed between crystallographically inequivalent tetrahedral and octahedral sites in the unit cell. In order to understand and be able to tune properties of these structures, it is necessary to have detailed site-specific structural information on the system. Here we report on the application of diffraction-anomalous fine structure (DAFS) spectroscopy to resolve site-specific Mn local structures in manganese ferrite films. The DAFS measurements were done at undulator beamline 4-ID-D of the Advanced Photon Source at Argonne National Laboratory. The DAFS spectra (Fig. 1) were measured at several Bragg reflections in the vicinity of the Mn absorption K-edge, having probed separately contributions from tetrahedrally and octahedrally coordinated Mn sites. The DAFS data analysis done with an iterative Kramers-Kroenig algorithm made it possible to solve separately the local structure around different inequivalent Mn sites in the unit cell. The reliability of the data treatment was checked carefully, and it was showed that the site-specific structural parameters obtained with DAFS allow us to describe fluorescence EXAFS spectrum measured independently. Fig. 2 shows individual site contributions to the imaginary part of the resonant scattering amplitude obtained from the treatment of the data of Fig. 1. The analysis of the refined site-specific absorption spectra was done using EXAFS methods based on theoretical standards. We provided direct evidence for the tetrahedral Mn-O bond distance being increased relative to the corresponding Fe-O distance in bulk manganese ferrites. The first coordination shell number was found to be reduced significantly for Mn atoms at these sites. This finding is consistent with the well-known tendency of Mn

Simultaneous travel time tomography for updating both velocity and reflector geometry in triangular/tetrahedral cell model

Science.gov (United States)

Bai, Chao-ying; He, Lei-yu; Li, Xing-wang; Sun, Jia-yu

2018-05-01

To conduct forward and simultaneous inversion in a complex geological model, including an irregular topography (or irregular reflector or velocity anomaly), we in this paper combined our previous multiphase arrival tracking method (referred as triangular shortest-path method, TSPM) in triangular (2D) or tetrahedral (3D) cell model and a linearized inversion solver (referred to as damped minimum norms and constrained least squares problem solved using the conjugate gradient method, DMNCLS-CG) to formulate a simultaneous travel time inversion method for updating both velocity and reflector geometry by using multiphase arrival times. In the triangular/tetrahedral cells, we deduced the partial derivative of velocity variation with respective to the depth change of reflector. The numerical simulation results show that the computational accuracy can be tuned to a high precision in forward modeling and the irregular velocity anomaly and reflector geometry can be accurately captured in the simultaneous inversion, because the triangular/tetrahedral cell can be easily used to stitch the irregular topography or subsurface interface.

Tetrahedral-Mesh Simulation of Turbulent Flows with the Space-Time Conservative Schemes

Science.gov (United States)

Chang, Chau-Lyan; Venkatachari, Balaji; Cheng, Gary C.

2015-01-01

Direct numerical simulations of turbulent flows are predominantly carried out using structured, hexahedral meshes despite decades of development in unstructured mesh methods. Tetrahedral meshes offer ease of mesh generation around complex geometries and the potential of an orientation free grid that would provide un-biased small-scale dissipation and more accurate intermediate scale solutions. However, due to the lack of consistent multi-dimensional numerical formulations in conventional schemes for triangular and tetrahedral meshes at the cell interfaces, numerical issues exist when flow discontinuities or stagnation regions are present. The space-time conservative conservation element solution element (CESE) method - due to its Riemann-solver-free shock capturing capabilities, non-dissipative baseline schemes, and flux conservation in time as well as space - has the potential to more accurately simulate turbulent flows using unstructured tetrahedral meshes. To pave the way towards accurate simulation of shock/turbulent boundary-layer interaction, a series of wave and shock interaction benchmark problems that increase in complexity, are computed in this paper with triangular/tetrahedral meshes. Preliminary computations for the normal shock/turbulence interactions are carried out with a relatively coarse mesh, by direct numerical simulations standards, in order to assess other effects such as boundary conditions and the necessity of a buffer domain. The results indicate that qualitative agreement with previous studies can be obtained for flows where, strong shocks co-exist along with unsteady waves that display a broad range of scales, with a relatively compact computational domain and less stringent requirements for grid clustering near the shock. With the space-time conservation properties, stable solutions without any spurious wave reflections can be obtained without a need for buffer domains near the outflow/farfield boundaries. Computational results for the

A tetrahedrally coordinated cobalt(II) aminophosphonate containing one-dimensional channels

International Nuclear Information System (INIS)

Gemmill, William R.; Smith, Mark D.; Reisner, Barbara A.

2005-01-01

A tetrahedrally coordinated cobalt(II) phosphonate, Co(O 3 PCH 2 CH 2 NH 2 ), has been synthesized using hydrothermal techniques. X-ray diffraction indicates that this material is a three-dimensional open framework with rings aligned along a single axis forming infinite one-dimensional channels. The framework decomposes just above 400 deg. C. Magnetic susceptibility data are consistent with weak antiferromagnetic ordering at low temperatures

Modeling amorphization of tetrahedral structures under local approaches

International Nuclear Information System (INIS)

Jesurum, C.E.; Pulim, V.; Berger, B.; Hobbs, L.W.

1997-01-01

Many crystalline ceramics can be topologically disordered (amorphized) by disordering radiation events involving high-energy collision cascades or (in some cases) successive single-atom displacements. The authors are interested in both the potential for disorder and the possible aperiodic structures adopted following the disordering event. The potential for disordering is related to connectivity, and among those structures of interest are tetrahedral networks (such as SiO 2 , SiC and Si 3 N 4 ) comprising corner-shared tetrahedral units whose connectivities are easily evaluated. In order to study the response of these networks to radiation, the authors have chosen to model their assembly according to the (simple) local rules that each corner obeys in connecting to another tetrahedron; in this way they easily erect large computer models of any crystalline polymorphic form. Amorphous structures can be similarly grown by application of altered rules. They have adopted a simple model of irradiation in which all bonds in the neighborhood of a designated tetrahedron are destroyed, and they reform the bonds in this region according to a set of (possibly different) local rules appropriate to the environmental conditions. When a tetrahedron approaches the boundary of this neighborhood, it undergoes an optimization step in which a spring is inserted between two corners of compatible tetrahedra when they are within a certain distance of one another; component forces are then applied that act to minimize the distance between these corners and minimize the deviation from the rules. The resulting structure is then analyzed for the complete adjacency matrix, irreducible ring statistics, and bond angle distributions

Site occupation state of deuterium atoms in fcc Fe

International Nuclear Information System (INIS)

Aoki, Katsutoshi; Machida, Akihiko; Saitoh, Hiroyuki; Hattori, Takanori; Sano-Furukawa, Asami

2015-01-01

The deuterization process of fcc Fe to form solid-solution fcc FeD x was investigated by in situ neutron diffraction measurements at high temperature and high pressure. In a completely deuterized specimen at 988 K and 6.3 GPa, deuterium atoms occupy the octahedral and tetrahedral interstitial sites with an occupancy of 0.532(9) and 0.056(5), respectively, giving a deuterium composition x of 0.64(1). During deuterization, the metal-lattice expands approximately linearly with deuterium composition at a rate of 2.21 Å 3 per deuterium atom. The minor occupation of tetrahedral site is likely driven by the intersite movement of deuterium atoms along the <111> direction in the fcc metal lattice. These results provide implications for the light elements in the Earth's core and the mechanism of hydrogen embrittlement of ferrous metals. (author)

Catalysis by Design: Well-Defined Single-Site Heterogeneous Catalysts

KAUST Repository

Pelletier, Jeremie

2016-03-09

ConspectusHeterogeneous catalysis, a field important industrially and scientifically, is increasingly seeking and refining strategies to render itself more predictable. The main issue is due to the nature and the population of catalytically active sites. Their number is generally low to very low, their "acid strengths" or " redox properties" are not homogeneous, and the material may display related yet inactive sites on the same material. In many heterogeneous catalysts, the discovery of a structure-activity reationship is at best challenging. One possible solution is to generate single-site catalysts in which most, if not all, of the sites are structurally identical. Within this context and using the right tools, the catalyst structure can be designed and well-defined, to reach a molecular understanding. It is then feasible to understand the structure-activity relationship and to develop predictable heterogeneous catalysis. Single-site well-defined heterogeneous catalysts can be prepared using concepts and tools of surface organometallic chemistry (SOMC). This approach operates by reacting organometallic compounds with surfaces of highly divided oxides (or of metal nanoparticles). This strategy has a solid track record to reveal structure-activity relationship to the extent that it is becoming now quite predictable. Almost all elements of the periodical table have been grafted on surfaces of oxides (from simple oxides such as silica or alumina to more sophisticated materials regarding composition or porosity).Considering catalytic hydrocarbon transformations, heterogeneous catalysis outcome may now be predicted based on existing mechanistic proposals and the rules of molecular chemistry (organometallic, organic) associated with some concepts of surface sciences. A thorough characterization of the grafted metal centers must be carried out using tools spanning from molecular organometallic or surface chemistry. By selection of the metal, its ligand set, and the

High throughput protease profiling comprehensively defines active site specificity for thrombin and ADAMTS13.

Science.gov (United States)

Kretz, Colin A; Tomberg, Kärt; Van Esbroeck, Alexander; Yee, Andrew; Ginsburg, David

2018-02-12

We have combined random 6 amino acid substrate phage display with high throughput sequencing to comprehensively define the active site specificity of the serine protease thrombin and the metalloprotease ADAMTS13. The substrate motif for thrombin was determined by >6,700 cleaved peptides, and was highly concordant with previous studies. In contrast, ADAMTS13 cleaved only 96 peptides (out of >10 7 sequences), with no apparent consensus motif. However, when the hexapeptide library was substituted into the P3-P3' interval of VWF73, an exosite-engaging substrate of ADAMTS13, 1670 unique peptides were cleaved. ADAMTS13 exhibited a general preference for aliphatic amino acids throughout the P3-P3' interval, except at P2 where Arg was tolerated. The cleaved peptides assembled into a motif dominated by P3 Leu, and bulky aliphatic residues at P1 and P1'. Overall, the P3-P2' amino acid sequence of von Willebrand Factor appears optimally evolved for ADAMTS13 recognition. These data confirm the critical role of exosite engagement for substrates to gain access to the active site of ADAMTS13, and define the substrate recognition motif for ADAMTS13. Combining substrate phage display with high throughput sequencing is a powerful approach for comprehensively defining the active site specificity of proteases.

Defining the bacteroides ribosomal binding site.

Science.gov (United States)

Wegmann, Udo; Horn, Nikki; Carding, Simon R

2013-03-01

The human gastrointestinal tract, in particular the colon, hosts a vast number of commensal microorganisms. Representatives of the genus Bacteroides are among the most abundant bacterial species in the human colon. Bacteroidetes diverged from the common line of eubacterial descent before other eubacterial groups. As a result, they employ unique transcription initiation signals and, because of this uniqueness, they require specific genetic tools. Although some tools exist, they are not optimal for studying the roles and functions of these bacteria in the human gastrointestinal tract. Focusing on translation initiation signals in Bacteroides, we created a series of expression vectors allowing for different levels of protein expression in this genus, and we describe the use of pepI from Lactobacillus delbrueckii subsp. lactis as a novel reporter gene for Bacteroides. Furthermore, we report the identification of the 3' end of the 16S rRNA of Bacteroides ovatus and analyze in detail its ribosomal binding site, thus defining a core region necessary for efficient translation, which we have incorporated into the design of our expression vectors. Based on the sequence logo information from the 5' untranslated region of other Bacteroidales ribosomal protein genes, we conclude that our findings are relevant to all members of this order.

Urea-functionalized crystalline capsules for recognition and separation of tetrahedral oxoanions

Energy Technology Data Exchange (ETDEWEB)

Custelcean, Radu [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division

2012-12-21

We reviewed the persistent ability of tripodal TREN-based tris-urea receptors (TREN = tris(2-aminoethyl)amine) to self-assemble with a variety of oxoanions into dimeric capsules upon crystallization. The capsule crystallization allows for charge-, shape-, and size-selective encapsulation of tetrahedral XO₄^n-anions (n = 2,3), and provides an effective way to separate these anions from competitive aqueous environments.

Evolution of stacking fault tetrahedral and work hardening effect in copper single crystals

Science.gov (United States)

Liu, Hai Tao; Zhu, Xiu Fu; Sun, Ya Zhou; Xie, Wen Kun

2017-11-01

Stacking fault tetrahedral (SFT), generated in machining of copper single crystal as one type of subsurface defects, has significant influence on the performance of workpiece. In this study, molecular dynamics (MD) simulation is used to investigate the evolution of stacking fault tetrahedral in nano-cutting of copper single crystal. The result shows that SFT is nucleated at the intersection of differently oriented stacking fault (SF) planes and SFT evolves from the preform only containing incomplete surfaces into a solid defect. The evolution of SFT contains several stress fluctuations until the complete formation. Nano-indentation simulation is then employed on the machined workpiece from nano-cutting, through which the interaction between SFT and later-formed dislocations in subsurface is studied. In the meanwhile, force-depth curves obtained from nano-indentation on pristine and machined workpieces are compared to analyze the mechanical properties. By simulation of nano-cutting and nano-indentation, it is verified that SFT is a reason of the work hardening effect.

Cause and Cure - Deterioration in Accuracy of CFD Simulations With Use of High-Aspect-Ratio Triangular Tetrahedral Grids

Science.gov (United States)

Chang, Sin-Chung; Chang, Chau-Lyan; Venkatachari, Balaji Shankar

2017-01-01

Traditionally high-aspect ratio triangular/tetrahedral meshes are avoided by CFD re-searchers in the vicinity of a solid wall, as it is known to reduce the accuracy of gradient computations in those regions and also cause numerical instability. Although for certain complex geometries, the use of high-aspect ratio triangular/tetrahedral elements in the vicinity of a solid wall can be replaced by quadrilateral/prismatic elements, ability to use triangular/tetrahedral elements in such regions without any degradation in accuracy can be beneficial from a mesh generation point of view. The benefits also carry over to numerical frameworks such as the space-time conservation element and solution element (CESE), where triangular/tetrahedral elements are the mandatory building blocks. With the requirement of the CESE method in mind, a rigorous mathematical framework that clearly identities the reason behind the difficulties in use of such high-aspect ratio triangular/tetrahedral elements is presented here. As will be shown, it turns out that the degree of accuracy deterioration of gradient computation involving a triangular element is hinged on the value of its shape factor Gamma def = sq sin Alpha1 + sq sin Alpha2 + sq sin Alpha3, where Alpha1; Alpha2 and Alpha3 are the internal angles of the element. In fact, it is shown that the degree of accuracy deterioration increases monotonically as the value of Gamma decreases monotonically from its maximal value 9/4 (attained by an equilateral triangle only) to a value much less than 1 (associated with a highly obtuse triangle). By taking advantage of the fact that a high-aspect ratio triangle is not necessarily highly obtuse, and in fact it can have a shape factor whose value is close to the maximal value 9/4, a potential solution to avoid accuracy deterioration of gradient computation associated with a high-aspect ratio triangular grid is given. Also a brief discussion on the extension of the current mathematical framework to the

DNA-mediated self-assembly of tetrahedral plasmonic clusters for metafluids

Science.gov (United States)

Schade, Nicholas; Sun, Li; Lee, You-Jin; Fan, Jonathan; Capasso, Federico; Yi, Gi-Ra; Manoharan, Vinothan

2014-03-01

We direct the self-assembly of clusters of gold nanospheres with the goal of creating a bulk, isotropic, optical metafluid. We use spherical gold nanoparticles that are exceptionally smooth, monocrystalline, and monodisperse. These particles exhibit highly reproducible scattering spectra compared with commercially available gold colloids. We label them with DNA sequences and mix them together to self-assemble small clusters. By controlling the particle sizes and the interactions between them, we maximize the yield of tetrahedral clusters, the ideal structures for isotropic metamaterials.

Shutdown dose rate analysis with CAD geometry, Cartesian/tetrahedral mesh, and advanced variance reduction

International Nuclear Information System (INIS)

Biondo, Elliott D.; Davis, Andrew; Wilson, Paul P.H.

2016-01-01

Highlights: • A CAD-based shutdown dose rate analysis workflow has been implemented. • Cartesian and superimposed tetrahedral mesh are fully supported. • Biased and unbiased photon source sampling options are available. • Hybrid Monte Carlo/deterministic techniques accelerate photon transport. • The workflow has been validated with the FNG-ITER benchmark problem. - Abstract: In fusion energy systems (FES) high-energy neutrons born from burning plasma activate system components to form radionuclides. The biological dose rate that results from photons emitted by these radionuclides after shutdown—the shutdown dose rate (SDR)—must be quantified for maintenance planning. This can be done using the Rigorous Two-Step (R2S) method, which involves separate neutron and photon transport calculations, coupled by a nuclear inventory analysis code. The geometric complexity and highly attenuating configuration of FES motivates the use of CAD geometry and advanced variance reduction for this analysis. An R2S workflow has been created with the new capability of performing SDR analysis directly from CAD geometry with Cartesian or tetrahedral meshes and with biased photon source sampling, enabling the use of the Consistent Adjoint Driven Importance Sampling (CADIS) variance reduction technique. This workflow has been validated with the Frascati Neutron Generator (FNG)-ITER SDR benchmark using both Cartesian and tetrahedral meshes and both unbiased and biased photon source sampling. All results are within 20.4% of experimental values, which constitutes satisfactory agreement. Photon transport using CADIS is demonstrated to yield speedups as high as 8.5·10"5 for problems using the FNG geometry.

Verification of the three-dimensional tetrahedral grid SN code THOR

International Nuclear Information System (INIS)

Schunert, S.; Ferrer, R.; Azmy, Y.

2013-01-01

In this work current capabilities implemented in the novel, arbitrary-order, tetrahedral-grid short characteristics S N radiation transport code THOR are verified based on four benchmark problems: (1) A one-group Method of Manufactured Solution (MMS) problem on a cuboidal domain, (2) an infinite medium eigenvalue problem with up-scattering, (3) a homogeneous torus and (4) a bare cube eigenvalue problem with anisotropic scattering up to order three. The first benchmark problem exercises the various spatial discretization options available in THOR: The short characteristics method in conjunction with polynomial expansions of the source and face fluxes either using the complete or Lagrange family of arbitrary orders. Using the numerical solution's order of convergence test in the framework of a mesh refinement study, correct implementation of a selection of spatial expansion orders is demonstrated for two meshes with tetrahedral aspect ratios close to unity and 50. The second benchmark problem exercises the implementation of angular fluxes on reflective boundary faces that are implicit within a mesh sweep, and up-scattering. The third benchmark problem comprises cyclic dependencies within the mesh sweep thus exercising the algorithm devised for 'breaking' the cyclic dependencies. Finally, the fourth benchmark problem, a simple bare cube, is used to test correct implementation of the anisotropic scattering capability. For all test problems THOR obtains solutions that converge to the reference/exact solution with the expected rate thereby contributing to our confidence in the correctness of its tested features in the present implementation. (authors)

Artificial intelligence approach to planning the robotic assembly of large tetrahedral truss structures

Science.gov (United States)

Homemdemello, Luiz S.

1992-01-01

An assembly planner for tetrahedral truss structures is presented. To overcome the difficulties due to the large number of parts, the planner exploits the simplicity and uniformity of the shapes of the parts and the regularity of their interconnection. The planning automation is based on the computational formalism known as production system. The global data base consists of a hexagonal grid representation of the truss structure. This representation captures the regularity of tetrahedral truss structures and their multiple hierarchies. It maps into quadratic grids and can be implemented in a computer by using a two-dimensional array data structure. By maintaining the multiple hierarchies explicitly in the model, the choice of a particular hierarchy is only made when needed, thus allowing a more informed decision. Furthermore, testing the preconditions of the production rules is simple because the patterned way in which the struts are interconnected is incorporated into the topology of the hexagonal grid. A directed graph representation of assembly sequences allows the use of both graph search and backtracking control strategies.

BeP2: a tetrahedral structure of type order-disorder which obeys a coordination rule for short-range order

International Nuclear Information System (INIS)

L'Haridon, P.; David, J.; Lang, J.; Parthe, E.

1976-01-01

Single-crystal studies on BeP 2 indicate that this compound possesses an OD structure. The substructure has a tetragonal unit cell with: a = 3.546 A, c = 15.01 A, Z = 4, space group: I4 1 /amd. The final R factor has a value of 0.033. The atom sites in this substructure correspond to the sites of diamond if the latter is described with a tetragonal cell, where a = (2/sup 1/2//a/sub diamond/ and c = 3a/sub diamond/. A short-range order governs the occupation of these sites with Be and P atoms. Each Be has four tetrahedral P neighbors and every P has two Be and two P neighbors. Consideration of the maxima on the diffuse streaks between the sharp reflectins of the substructure leads to an intermediate unit cell with a = 7.09 A and c = 30.02 A. Coordination considerations allow a structure proposal to be formulated for this intermediate structure which is triclinic but pseudotetragonal. The true unit cell is also pseudotetragonal with a = 7.09 A and c = N . 15.01 A, where N is a large integer

Electron emission induced modifications in amorphous tetrahedral diamondlike carbon

International Nuclear Information System (INIS)

Mercer, T.W.; DiNardo, N.J.; Rothman, J.B.; Siegal, M.P.; Friedmann, T.A.; Martinez-Miranda, L.J.

1998-01-01

The cold-cathode electron emission properties of amorphous tetrahedral diamondlike carbon are promising for flat-panel display and vacuum microelectronics technologies. The onset of electron emission is, typically, preceded by open-quotes conditioningclose quotes where the material is stressed by an applied electric field. To simulate conditioning and assess its effect, we combined the spatially localized field and current of a scanning tunneling microscope tip with high-spatial-resolution characterization. Scanning force microscopy shows that conditioning alters surface morphology and electronic structure. Spatially resolved electron-energy-loss spectroscopy indicates that the predominant bonding configuration changes from predominantly fourfold to threefold coordination. copyright 1998 American Institute of Physics

Nuclear tetrahedral symmetry: possibly present throughout the periodic table.

Science.gov (United States)

Dudek, J; Goźdź, A; Schunck, N; Miśkiewicz, M

2002-06-24

More than half a century after the fundamental, spherical shell structure in nuclei had been established, theoretical predictions indicated that the shell gaps comparable or even stronger than those at spherical shapes may exist. Group-theoretical analysis supported by realistic mean-field calculations indicate that the corresponding nuclei are characterized by the TD(d) ("double-tetrahedral") symmetry group. Strong shell-gap structure is enhanced by the existence of the four-dimensional irreducible representations of TD(d); it can be seen as a geometrical effect that does not depend on a particular realization of the mean field. Possibilities of discovering the TD(d) symmetry in experiment are discussed.

Growth Mechanism and Origin of High s p3 Content in Tetrahedral Amorphous Carbon

Science.gov (United States)

Caro, Miguel A.; Deringer, Volker L.; Koskinen, Jari; Laurila, Tomi; Csányi, Gábor

2018-04-01

We study the deposition of tetrahedral amorphous carbon (ta-C) films from molecular dynamics simulations based on a machine-learned interatomic potential trained from density-functional theory data. For the first time, the high s p3 fractions in excess of 85% observed experimentally are reproduced by means of computational simulation, and the deposition energy dependence of the film's characteristics is also accurately described. High confidence in the potential and direct access to the atomic interactions allow us to infer the microscopic growth mechanism in this material. While the widespread view is that ta-C grows by "subplantation," we show that the so-called "peening" model is actually the dominant mechanism responsible for the high s p3 content. We show that pressure waves lead to bond rearrangement away from the impact site of the incident ion, and high s p3 fractions arise from a delicate balance of transitions between three- and fourfold coordinated carbon atoms. These results open the door for a microscopic understanding of carbon nanostructure formation with an unprecedented level of predictive power.

Cause and Cure-Deterioration in Accuracy of CFD Simulations with Use of High-Aspect-Ratio Triangular/Tetrahedral Grids

Science.gov (United States)

Chang, Sin-Chung; Chang, Chau-Lyan; Venkatachari, Balaji

2017-01-01

In the multi-dimensional space-time conservation element and solution element16 (CESE) method, triangles and tetrahedral mesh elements turn out to be the most natural building blocks for 2D and 3D spatial grids, respectively. As such, the CESE method is naturally compatible with the simplest 2D and 3D unstructured grids and thus can be easily applied to solve problems with complex geometries. However, because (a) accurate solution of a high-Reynolds number flow field near a solid wall requires that the grid intervals along the direction normal to the wall be much finer than those in a direction parallel to the wall and, as such, the use of grid cells with extremely high aspect ratio (103 to 106) may become mandatory, and (b) unlike quadrilateral hexahedral grids, it is well-known that accuracy of gradient computations involving triangular tetrahedral grids tends to deteriorate rapidly as cell aspect ratio increases. As a result, the use of triangular tetrahedral grid cells near a solid wall has long been deemed impractical by CFD researchers. In view of (a) the critical role played by triangular tetrahedral grids in the CESE development, and (b) the importance of accurate resolution of high-Reynolds number flow field near a solid wall, as will be presented in the main paper, a comprehensive and rigorous mathematical framework that clearly identifies the reasons behind the accuracy deterioration as described above has been developed for the 2D case involving triangular cells. By avoiding the pitfalls identified by the 2D framework, and its 3D extension, it has been shown numerically.

Electromagnetic forward modelling for realistic Earth models using unstructured tetrahedral meshes and a meshfree approach

Science.gov (United States)

Farquharson, C.; Long, J.; Lu, X.; Lelievre, P. G.

2017-12-01

Real-life geology is complex, and so, even when allowing for the diffusive, low resolution nature of geophysical electromagnetic methods, we need Earth models that can accurately represent this complexity when modelling and inverting electromagnetic data. This is particularly the case for the scales, detail and conductivity contrasts involved in mineral and hydrocarbon exploration and development, but also for the larger scale of lithospheric studies. Unstructured tetrahedral meshes provide a flexible means of discretizing a general, arbitrary Earth model. This is important when wanting to integrate a geophysical Earth model with a geological Earth model parameterized in terms of surfaces. Finite-element and finite-volume methods can be derived for computing the electric and magnetic fields in a model parameterized using an unstructured tetrahedral mesh. A number of such variants have been proposed and have proven successful. However, the efficiency and accuracy of these methods can be affected by the "quality" of the tetrahedral discretization, that is, how many of the tetrahedral cells in the mesh are long, narrow and pointy. This is particularly the case if one wants to use an iterative technique to solve the resulting linear system of equations. One approach to deal with this issue is to develop sophisticated model and mesh building and manipulation capabilities in order to ensure that any mesh built from geological information is of sufficient quality for the electromagnetic modelling. Another approach is to investigate other methods of synthesizing the electromagnetic fields. One such example is a "meshfree" approach in which the electromagnetic fields are synthesized using a mesh that is distinct from the mesh used to parameterized the Earth model. There are then two meshes, one describing the Earth model and one used for the numerical mathematics of computing the fields. This means that there are no longer any quality requirements on the model mesh, which

Atomic Scale Picture of the Ion Conduction Mechanism in Tetrahedral Network of Lanthanum Barium Gallate

Energy Technology Data Exchange (ETDEWEB)

Jalarvo, Niina H [ORNL; Gourdon, Olivier [ORNL; Bi, Zhonghe [ORNL; Gout, Delphine J [ORNL; Ohl, Michael E [ORNL; Paranthaman, Mariappan Parans [ORNL

2013-01-01

Combined experimental study of impedance spectroscopy, neutron powder diffraction and quasielastic neutron scattering was performed to shed light into the atomic scale ion migration processes in proton and oxide ion conductor; La0.8Ba1.2GaO3.9 . This material consist of tetrahedral GaO4 units, which are rather flexible and rocking motion of these units promotes the ionic migration process. The oxide ion (vacancy) conduction takes place on channels along c axis, involving a single elementary step, which occurs between adjacent tetrahedron (inter-tetrahedron jump). The proton conduction mechanism consists of intra-tetrahedron and inter-tetrahedron elementary processes. The intra-tetrahedron proton transport is the rate-limiting process, with activation energy of 0.44 eV. The rocking motion of the GaO4 tetrahedron aids the inter-tetrahedral proton transport, which has the activation energy of 0.068 eV.

A contribution to the sessile oak site and beech site defining in central Serbia

Directory of Open Access Journals (Sweden)

Krstić Milun

2009-01-01

Full Text Available The study was carried out in sessile oak forests and beech forests in the region central Serbia. The stands are classified as pure stands with the percentage of other species up to 10% per tree number, mixed forests of sessile oak with other species, and mixed forests of beech with other species, whose percentage does not exceed 50%. Altogether 257 stands were monitored - 202 beech stands and 55 sessile oak stands. By the applied method of defining the local heat potential (Lujić, 1960, modified by Ratknić et al. (2001 and Krstić (2004, 2008, which represents possibility of soil heating without vegetation, were determined. In this way, a scale of 162 possible combinations of local heat potential was obtained, which explains more precisely the dependence of beech stands and sessile oak stands on the topographic conditions. By applying the weighted values of the thermal co-ordinates of aspect and slope (E for each altitudinal belt of 100 m, it was concluded that pure stands have the widest ecological range. Pure beech stands occur at the sites with 34 combinations of thermal co-ordinates E.V=4.6 to 8.12. Pure sessile oak stands occur at the sites with 12 combinations of thermal co-ordinates E.V=5.10 to 8.11. The percentage of mixed beech stands with other broadleaf species is the highest at the sites with the co-ordinate V=10-11 (at the altitudes between 700 and 900 m is about 60 %. Mixed stands of sessile oak and beech are located on the terrains with combinations of thermal co-ordinates E.V=7.9 to 8.12. By using the local heat potential of a region, it can be identified which sites, i.e. which combinations of exposure, slope and altitude belong to the particular tree species. Consequently, a more reliable selection of tree species can be done for the bio-reclamation of barrens and other deforested terrains.

Direct observation of the lattice sites of implanted manganese in silicon

CERN Document Server

Silva, Daniel; Wahl, Ulrich; Martins Correia, Joao; Amorim, Lígia; Decoster, Stefan; Castro Ribeiro Da Silva, Manuel; Da Costa Pereira, Lino Miguel; Esteves De Araujo, Araujo Joao Pedro

2016-01-01

Mn-doped Si has attracted significant interest in the context of dilute magnetic semiconductors. We investigated the lattice location of implanted Mn in silicon of different doping types (n, n+ and p+) in the highly dilute regime. Three different lattice sites were identified by means of emission channeling experiments: ideal substitutional sites; sites displaced from bond-centered towards substitutional sites and sites displaced from anti-bonding towards tetrahedral interstitial sites. For all doping types investigated, the substitutional fraction remained below ∼ 30%. We discuss the origin of the observed lattice sites as well as the implications of such structures on the understanding of Mn-doped Si systems.

Calculation of energetic characteristics of 3d-transition metal ion aquacomplexes in tetrahedral and octahedral coordination by broadened Hukkel method

International Nuclear Information System (INIS)

Zhogolev, D.A.; Bunyatyan, B.Kh.; Yatsimirskij, K.B.

1975-01-01

Aquacomplexes formation energies of bi- and trivalent ions of 3d transition metals from Sc to Ni in the tetrahedral and octahedral coordinations have been calculated to compare their energetic advantages. Unlike ions of alkali metals and halogens, a tendency for higher or at least equal energetic effect of the formation of a tetrahedral complex, compared to octahedral, is characteristic of the ions under study. This can be explained by an increase in the covalency degree of the bond ion-ligand and by a considerable charge transfer from ligands to the central ion in the case of transition elements

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

Single walled carbon nanotube network—Tetrahedral amorphous carbon composite film

Energy Technology Data Exchange (ETDEWEB)

Iyer, Ajai, E-mail: ajai.iyer@aalto.fi; Liu, Xuwen; Koskinen, Jari [Department of Materials Science and Engineering, School of Chemical Technology, Aalto University, POB 16200, 00076 Espoo (Finland); Kaskela, Antti; Kauppinen, Esko I. [NanoMaterials Group, Department of Applied Physics, School of Science, Aalto University, POB 15100, 00076 Espoo (Finland); Johansson, Leena-Sisko [Department of Forest Products Technology, School of Chemical Technology, Aalto University, POB 16400, 00076 Espoo (Finland)

2015-06-14

Single walled carbon nanotube network (SWCNTN) was coated by tetrahedral amorphous carbon (ta-C) using a pulsed Filtered Cathodic Vacuum Arc system to form a SWCNTN—ta-C composite film. The effects of SWCNTN areal coverage density and ta-C coating thickness on the composite film properties were investigated. X-Ray photoelectron spectroscopy measurements prove the presence of high quality sp{sup 3} bonded ta-C coating on the SWCNTN. Raman spectroscopy suggests that the single wall carbon nanotubes (SWCNTs) forming the network survived encapsulation in the ta-C coating. Nano-mechanical testing suggests that the ta-C coated SWCNTN has superior wear performance compared to uncoated SWCNTN.

Impact of local symmetry breaking on the physical properties of tetrahedral liquids.

Science.gov (United States)

Shi, Rui; Tanaka, Hajime

2018-02-27

Water and silica are the most important materials with local tetrahedral symmetry. They have similar crystalline polymorphs and exhibit anomalous density maximum in the liquid state. However, water and silica also show very different characteristics. For instance, the density of water varies much more sharply than that of liquid silica near the maximum as temperature changes. More notably, silica is a very good glass-former, but water is an extremely poor one. The physical origins of these similarities and differences still remain elusive, due to the lack of a microscopic understanding of the structural ordering in these two important liquids. Here, by accessing microscopic structural information by computer simulations, we reveal that local translational symmetry breaking is responsible for the density anomalies. On the other hand, the difference in the degree of local orientational symmetry breaking between water and silica, which originates from the difference in their bonding nature, causes not only the difference in the sharpness of density anomalies, but also their distinct glass-forming abilities. Our work not only shows the crucial roles of local translational and orientational symmetry breaking in the physical properties of the two extremely important materials, water and silica, but also provides a unified scenario applicable for other tetrahedral liquids such as Si, Ge, C, BeF 2 , and GeO 2 .

Tracking the Chemical Transformations at the Brønsted Acid Site upon Water-Induced Deprotonation in a Zeolite Pore

Energy Technology Data Exchange (ETDEWEB)

Vjunov, Aleksei; Wang, Meng; Govind, Niranjan; Huthwelker, Thomas; Shi, Hui; Mei, Donghai; Fulton, John L.; Lercher, Johannes A.

2017-10-23

We report the structural changes induced by Brønsted acidic site deprotonation in a zeolite with MFI structure as a function of temperature up to 430°C using in situ Al K-edge X-ray absorption fine structure spectroscopy (XAFS). At ambient conditions, the protons are present as hydrated hydronium ions (H3O+(H2O)n) that are ion-paired to the anionic, Al tetrahedral (T) site. At elevated temperatures, loss of water molecules hydrating the hydronium ions leads to an unstable free hydronium ion that disso-ciates to form the hydroxylated T-site. The formation of this (-O3)-Al-(OH-) species leads to the elongation of one of the four Al-O bonds and causes significant distortion of the tetrahedral symmetry about the Al atom. This distortion leads to the appearance of new pre-edge features in the Al K-edge X-ray absorption near edge structure (XANES) spectra. The pre-edge peak assignment is confirmed by time-dependent density functional theory calculation of the XANES spectrum. The XANES spectra are also sensitive to solutes or solvent that are in proximity to the T-site. A second structural transition occurs at about the same temperature, namely the conversion of a minor fraction of extra-framework octahedral Al present in the sample at ambient conditions to a tetrahedral species through the de-coordination of H2O-ligands. Both IR spectroscopy and thermogravimetric analysis (TGA) are further used to confirm the overall chemical transformation of the T-site.

An X-ray absorption spectroscopic study of the metal site preference in Al1-xGaxFeO3

Science.gov (United States)

Walker, James D. S.; Grosvenor, Andrew P.

2013-01-01

Magnetoelectric materials have potential for being introduced into next generation technologies, especially memory devices. The AFeO3 (Pna21; A=Al, Ga) system has received attention to better understand the origins of magnetoelectric coupling. The magnetoelectric properties this system exhibits depend on the amount of anti-site disorder present, which is affected by the composition and the method of synthesis. In this study, Al1-xGaxFeO3 was synthesized by the ceramic method and studied by X-ray absorption spectroscopy. Al L2,3-, Ga K-, and Fe K-edge spectra were collected to examine how the average metal coordination number changes with composition. Examination of XANES spectra from Al1-xGaxFeO3 indicate that with increasing Ga content, Al increasingly occupies octahedral sites while Ga displays a preference for occupying the tetrahedral site. The Fe K-edge spectra indicate that more Fe is present in the tetrahedral site in AlFeO3 than in GaFeO3, implying more anti-site disorder is present in AlFeO3.

Finite-element design and optimization of a three-dimensional tetrahedral porous titanium scaffold for the reconstruction of mandibular defects.

Science.gov (United States)

Luo, Danmei; Rong, Qiguo; Chen, Quan

2017-09-01

Reconstruction of segmental defects in the mandible remains a challenge for maxillofacial surgery. The use of porous scaffolds is a potential method for repairing these defects. Now, additive manufacturing techniques provide a solution for the fabrication of porous scaffolds with specific geometrical shapes and complex structures. The goal of this study was to design and optimize a three-dimensional tetrahedral titanium scaffold for the reconstruction of mandibular defects. With a fixed strut diameter of 0.45mm and a mean cell size of 2.2mm, a tetrahedral structural porous scaffold was designed for a simulated anatomical defect derived from computed tomography (CT) data of a human mandible. An optimization method based on the concept of uniform stress was performed on the initial scaffold to realize a minimal-weight design. Geometric and mechanical comparisons between the initial and optimized scaffold show that the optimized scaffold exhibits a larger porosity, 81.90%, as well as a more homogeneous stress distribution. These results demonstrate that tetrahedral structural titanium scaffolds are feasible structures for repairing mandibular defects, and that the proposed optimization scheme has the ability to produce superior scaffolds for mandibular reconstruction with better stability, higher porosity, and less weight. Copyright © 2017 IPEM. Published by Elsevier Ltd. All rights reserved.

Origin of the lattice sites occupied by implanted Co in Si

CERN Document Server

Silva, Daniel; Wahl, Ulrich; Martins Correia, Joao; Da Costa Pereira, Lino Miguel; Amorim, Lígia; Castro Ribeiro Da Silva, Manuel; Esteves De Araujo, Araujo Joao Pedro

2014-01-01

We have investigated the lattice location of implanted 61Co in silicon. By means of emission channeling, three different lattice sites have been identified: ideal substitutional sites, displaced bond-centered sites and displaced tetrahedral interstitial sites. To assess the origin of the observed lattice sites we have compared our results to emission channeling studies on 59Fe and 65Ni and to Mössbauer spectroscopy experiments on 57Co, present in literature. The possible interpretation of several 57Co Mössbauer lines is discussed in the light of our new results on the 61Co lattice location. The conclusions are relevant for the microscopic understanding of some gettering techniques.

Defining waste acceptance criteria for the Hanford Replacement Cross-Site Transfer System

International Nuclear Information System (INIS)

Hudson, J.D.

1996-04-01

This document provides a methodology for defining waste acceptance criteria for the Hanford Replacement Cross-Site Transfer System (RCSTS). This methodology includes characterization, transport analysis, and control. A framework is described for each of these functions. A tool was developed for performing the calculations associated with the transport analysis. This tool, a worksheet that is available in formats acceptable for a variety of PC spreadsheet programs, enables a comparison of the pressure required to transport a given slurry at a rate that particulate suspension is maintained to the pressure drop available from the RCSTS

Tetrahedral 1B4Sb nanoclusters in GaP:(B, Sb)

Energy Technology Data Exchange (ETDEWEB)

Elyukhin, V A, E-mail: elyukhin@cinvestav.m [Departamento de Ingenieria Electrica-SEES, CINVESTAV-IPN, Avenida IPN 2508, Col. San Pedro Zacatenco, C. P. 07360, Mexico, D. F. (Mexico)

2009-05-01

Self-assembling conditions of 1B4Sb tetrahedral nanoclusters in GaP doped with boron and Sb isoelectronic impurities are represented in the ultradilute and dilute limits of the boron and Sb contents, respectively. The fulfilled estimates demonstrated the preferential complete or almost complete allocation of boron atoms in 1B4Sb nanoclusters at temperatures of 500 {sup 0}C and 900 {sup 0}C, respectively. The significant decrease of the sum of the free energies of the constituent compounds is the main origin of self-assembling. The reduction of the strain energy is the additional cause of this phenomenon.

3He/4He production ratios by tetrahedral symmetric condensation

International Nuclear Information System (INIS)

Takahashi, Akito

2006-01-01

The present paper treats application of the Electronic Quasi-Particle Expansion Theory (EQPET) model for Tetrahedral Symmetric Condensate (TSC) of H/D mixed systems for Pd host metal. Production ratios of 3 He/ 4 He for multi-body fusion reactions in H/D mixed TSC systems are calculated as a function of H/D mixing ratio. The model is further extended to treat direct nuclear interactions between host-metal nucleus and TSC of pure four protons (or four deuterons), since TSC can become very small (far less than 1 pm radius) charge-neutral pseudo-particle. Results for the case of Ni + 4p/TSC are discussed with Ni + p capture reactions and Ni + 4p fission reactions. (authors)

Estimation of methane emission rate changes using age-defined waste in a landfill site.

Science.gov (United States)

Ishii, Kazuei; Furuichi, Toru

2013-09-01

Long term methane emissions from landfill sites are often predicted by first-order decay (FOD) models, in which the default coefficients of the methane generation potential and the methane generation rate given by the Intergovernmental Panel on Climate Change (IPCC) are usually used. However, previous studies have demonstrated the large uncertainty in these coefficients because they are derived from a calibration procedure under ideal steady-state conditions, not actual landfill site conditions. In this study, the coefficients in the FOD model were estimated by a new approach to predict more precise long term methane generation by considering region-specific conditions. In the new approach, age-defined waste samples, which had been under the actual landfill site conditions, were collected in Hokkaido, Japan (in cold region), and the time series data on the age-defined waste sample's methane generation potential was used to estimate the coefficients in the FOD model. The degradation coefficients were 0.0501/y and 0.0621/y for paper and food waste, and the methane generation potentials were 214.4 mL/g-wet waste and 126.7 mL/g-wet waste for paper and food waste, respectively. These coefficients were compared with the default coefficients given by the IPCC. Although the degradation coefficient for food waste was smaller than the default value, the other coefficients were within the range of the default coefficients. With these new coefficients to calculate methane generation, the long term methane emissions from the landfill site was estimated at 1.35×10(4)m(3)-CH(4), which corresponds to approximately 2.53% of the total carbon dioxide emissions in the city (5.34×10(5)t-CO(2)/y). Copyright © 2013 Elsevier Ltd. All rights reserved.

A three-dimensional tetrahedral-shaped conjugated small molecule for organic solar cells

Directory of Open Access Journals (Sweden)

QIN Yang

2014-04-01

Full Text Available We report the synthesis of a novel three-dimensional tetrahedral-shaped small molecule,SO,containing a tetraphenylsilane core and cyanoester functionalized terthiophene arms.A deep lying HOMO energy level of -5.3 eV and a narrow bandgap of 1.9 eV were obtained from cyclic voltammetry measurements.Absorption,X-ray scattering and differential scanning calorimetry experiments all indicate high crystallinity of this compound.Solar cells employing SO were fabricated and evaluated.The relatively low performance was mainly ascribed to lack of appreciable phase separation,which is confirmed by optical microscopy.

Tetrahedral ↔ octahedral network structure transition in simulated vitreous SiO2

International Nuclear Information System (INIS)

Vo Van Hoang; Nguyen Trung Hai; Hoang Zung

2006-01-01

By using molecular dynamics (MD) simulations we found a transition from a tetrahedral to an octahedral network structure in an amorphous SiO 2 model under compression from 2.20 to 5.35 g/cm 3 . And on heating of a high density amorphous (hda) model of 5.35 g/cm 3 at zero pressure, the structure transforms to a low density amorphous (lda) form. Simulations were done in a model containing 3000 particles under periodic boundary conditions with interatomic potentials which have a weak Coulomb interaction and a Morse type short-range interaction

Evaluation of a 3D point cloud tetrahedral tomographic reconstruction method

Science.gov (United States)

Pereira, N. F.; Sitek, A.

2010-09-01

Tomographic reconstruction on an irregular grid may be superior to reconstruction on a regular grid. This is achieved through an appropriate choice of the image space model, the selection of an optimal set of points and the use of any available prior information during the reconstruction process. Accordingly, a number of reconstruction-related parameters must be optimized for best performance. In this work, a 3D point cloud tetrahedral mesh reconstruction method is evaluated for quantitative tasks. A linear image model is employed to obtain the reconstruction system matrix and five point generation strategies are studied. The evaluation is performed using the recovery coefficient, as well as voxel- and template-based estimates of bias and variance measures, computed over specific regions in the reconstructed image. A similar analysis is performed for regular grid reconstructions that use voxel basis functions. The maximum likelihood expectation maximization reconstruction algorithm is used. For the tetrahedral reconstructions, of the five point generation methods that are evaluated, three use image priors. For evaluation purposes, an object consisting of overlapping spheres with varying activity is simulated. The exact parallel projection data of this object are obtained analytically using a parallel projector, and multiple Poisson noise realizations of these exact data are generated and reconstructed using the different point generation strategies. The unconstrained nature of point placement in some of the irregular mesh-based reconstruction strategies has superior activity recovery for small, low-contrast image regions. The results show that, with an appropriately generated set of mesh points, the irregular grid reconstruction methods can out-perform reconstructions on a regular grid for mathematical phantoms, in terms of the performance measures evaluated.

Evaluation of a 3D point cloud tetrahedral tomographic reconstruction method

International Nuclear Information System (INIS)

Pereira, N F; Sitek, A

2010-01-01

Tomographic reconstruction on an irregular grid may be superior to reconstruction on a regular grid. This is achieved through an appropriate choice of the image space model, the selection of an optimal set of points and the use of any available prior information during the reconstruction process. Accordingly, a number of reconstruction-related parameters must be optimized for best performance. In this work, a 3D point cloud tetrahedral mesh reconstruction method is evaluated for quantitative tasks. A linear image model is employed to obtain the reconstruction system matrix and five point generation strategies are studied. The evaluation is performed using the recovery coefficient, as well as voxel- and template-based estimates of bias and variance measures, computed over specific regions in the reconstructed image. A similar analysis is performed for regular grid reconstructions that use voxel basis functions. The maximum likelihood expectation maximization reconstruction algorithm is used. For the tetrahedral reconstructions, of the five point generation methods that are evaluated, three use image priors. For evaluation purposes, an object consisting of overlapping spheres with varying activity is simulated. The exact parallel projection data of this object are obtained analytically using a parallel projector, and multiple Poisson noise realizations of these exact data are generated and reconstructed using the different point generation strategies. The unconstrained nature of point placement in some of the irregular mesh-based reconstruction strategies has superior activity recovery for small, low-contrast image regions. The results show that, with an appropriately generated set of mesh points, the irregular grid reconstruction methods can out-perform reconstructions on a regular grid for mathematical phantoms, in terms of the performance measures evaluated.

Evaluation of a 3D point cloud tetrahedral tomographic reconstruction method

Energy Technology Data Exchange (ETDEWEB)

Pereira, N F; Sitek, A, E-mail: nfp4@bwh.harvard.ed, E-mail: asitek@bwh.harvard.ed [Department of Radiology, Brigham and Women' s Hospital-Harvard Medical School Boston, MA (United States)

2010-09-21

Tomographic reconstruction on an irregular grid may be superior to reconstruction on a regular grid. This is achieved through an appropriate choice of the image space model, the selection of an optimal set of points and the use of any available prior information during the reconstruction process. Accordingly, a number of reconstruction-related parameters must be optimized for best performance. In this work, a 3D point cloud tetrahedral mesh reconstruction method is evaluated for quantitative tasks. A linear image model is employed to obtain the reconstruction system matrix and five point generation strategies are studied. The evaluation is performed using the recovery coefficient, as well as voxel- and template-based estimates of bias and variance measures, computed over specific regions in the reconstructed image. A similar analysis is performed for regular grid reconstructions that use voxel basis functions. The maximum likelihood expectation maximization reconstruction algorithm is used. For the tetrahedral reconstructions, of the five point generation methods that are evaluated, three use image priors. For evaluation purposes, an object consisting of overlapping spheres with varying activity is simulated. The exact parallel projection data of this object are obtained analytically using a parallel projector, and multiple Poisson noise realizations of these exact data are generated and reconstructed using the different point generation strategies. The unconstrained nature of point placement in some of the irregular mesh-based reconstruction strategies has superior activity recovery for small, low-contrast image regions. The results show that, with an appropriately generated set of mesh points, the irregular grid reconstruction methods can out-perform reconstructions on a regular grid for mathematical phantoms, in terms of the performance measures evaluated.

Lattice site of helium implanted in Si and diamond

International Nuclear Information System (INIS)

Allen, W.R.

1993-01-01

Single crystals of silicon and diamond were implanted at 300K with 70 keV 3 He. Ion channeling analyses were executed by application of Rutherford backscattering spectrometry and nuclear reaction analysis. Helium exhibits a non-random lattice site in the channeling angular distributions for silicon and diamond. A major fraction of the implanted He was qualitatively identified to be near to the tetrahedral interstice in both materials

An X-ray absorption spectroscopic study of the metal site preference in Al1−xGaxFeO3

International Nuclear Information System (INIS)

Walker, James D.S.; Grosvenor, Andrew P.

2013-01-01

Magnetoelectric materials have potential for being introduced into next generation technologies, especially memory devices. The AFeO 3 (Pna2 1 ; A=Al, Ga) system has received attention to better understand the origins of magnetoelectric coupling. The magnetoelectric properties this system exhibits depend on the amount of anti-site disorder present, which is affected by the composition and the method of synthesis. In this study, Al 1−x Ga x FeO 3 was synthesized by the ceramic method and studied by X-ray absorption spectroscopy. Al L 2,3 -, Ga K-, and Fe K-edge spectra were collected to examine how the average metal coordination number changes with composition. Examination of XANES spectra from Al 1−x Ga x FeO 3 indicate that with increasing Ga content, Al increasingly occupies octahedral sites while Ga displays a preference for occupying the tetrahedral site. The Fe K-edge spectra indicate that more Fe is present in the tetrahedral site in AlFeO 3 than in GaFeO 3 , implying more anti-site disorder is present in AlFeO 3 . - Graphical abstract: Al 1−x Ga x FeO 3 has been investigated by XANES. Through examination of Al L 2,3 -, Ga K-, and Fe K-edge XANES spectra, it was found that more anti-site disorder of the Fe atoms is present in AlFeO 3 compared to in GaFeO 3 . Highlights: ► Al 1−x Ga x FeO 3 was investigated by X-ray absorption spectroscopy. ► Ga prefers to occupy the tetrahedral site in Al 1−x Ga x FeO 3 . ► Fe prefers to occupy the octahedral sites in Al 1−x Ga x FeO 3 as x increases. ► More anti-site disorder is present in AlFeO 3 compared to in GaFeO 3.

Verification of the three-dimensional tetrahedral grid S{sub N} code THOR

Energy Technology Data Exchange (ETDEWEB)

Schunert, S. [Department of Nuclear Engineering, North Carolina State University (United States); Ferrer, R. [Studsvik Scandpower, Idaho Falls, ID (United States); Azmy, Y. [Department of Nuclear Engineering, North Carolina State University (United States)

2013-07-01

In this work current capabilities implemented in the novel, arbitrary-order, tetrahedral-grid short characteristics S{sub N} radiation transport code THOR are verified based on four benchmark problems: (1) A one-group Method of Manufactured Solution (MMS) problem on a cuboidal domain, (2) an infinite medium eigenvalue problem with up-scattering, (3) a homogeneous torus and (4) a bare cube eigenvalue problem with anisotropic scattering up to order three. The first benchmark problem exercises the various spatial discretization options available in THOR: The short characteristics method in conjunction with polynomial expansions of the source and face fluxes either using the complete or Lagrange family of arbitrary orders. Using the numerical solution's order of convergence test in the framework of a mesh refinement study, correct implementation of a selection of spatial expansion orders is demonstrated for two meshes with tetrahedral aspect ratios close to unity and 50. The second benchmark problem exercises the implementation of angular fluxes on reflective boundary faces that are implicit within a mesh sweep, and up-scattering. The third benchmark problem comprises cyclic dependencies within the mesh sweep thus exercising the algorithm devised for 'breaking' the cyclic dependencies. Finally, the fourth benchmark problem, a simple bare cube, is used to test correct implementation of the anisotropic scattering capability. For all test problems THOR obtains solutions that converge to the reference/exact solution with the expected rate thereby contributing to our confidence in the correctness of its tested features in the present implementation. (authors)

Site-Wide Integrated Water Monitoring - Defining and Implementing Sampling Objectives to Support Site Closure - 13060

International Nuclear Information System (INIS)

Wilborn, Bill; Knapp, Kathryn; Farnham, Irene; Marutzky, Sam

2013-01-01

The Underground Test Area (UGTA) activity is responsible for assessing and evaluating the effects of the underground nuclear weapons tests on groundwater at the Nevada National Security Site (NNSS), formerly the Nevada Test Site (NTS), and implementing a corrective action closure strategy. The UGTA strategy is based on a combination of characterization, modeling studies, monitoring, and institutional controls (i.e., monitored natural attenuation). The closure strategy verifies through appropriate monitoring activities that contaminants of concern do not exceed the SDWA at the regulatory boundary and that adequate institutional controls are established and administered to ensure protection of the public. Other programs conducted at the NNSS supporting the environmental mission include the Routine Radiological Environmental Monitoring Program (RREMP), Waste Management, and the Infrastructure Program. Given the current programmatic and operational demands for various water-monitoring activities at the same locations, and the ever-increasing resource challenges, cooperative and collaborative approaches to conducting the work are necessary. For this reason, an integrated sampling plan is being developed by the UGTA activity to define sampling and analysis objectives, reduce duplication, eliminate unnecessary activities, and minimize costs. The sampling plan will ensure the right data sets are developed to support closure and efficient transition to long-term monitoring. The plan will include an integrated reporting mechanism for communicating results and integrating process improvements within the UGTA activity as well as between other U.S. Department of Energy (DOE) Programs. (authors)

The asc trinodal platform: Two-step assembly of triangular, tetrahedral, and trigonal-prismatic molecular building blocks

KAUST Repository

Schoedel, Alexander; Cairns, Amy; Belmabkhout, Youssef; Wojtas, Łukasz; Mohamed, Mona Hassan; Zhang, ZhenJie; Proserpio, Davide Maria; Eddaoudi, Mohamed; Zaworotko, Michael J.

2013-01-01

The self-assembly of triangular, tetrahedral, and trigonal-prismatic molecular building blocks affords the first example of a trinodal family of metal-organic materials. Four examples of isoreticular expanded and functionalized frameworks are detailed. Gas adsorption experiments validated the permanent porosity of the parent structure. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The asc trinodal platform: Two-step assembly of triangular, tetrahedral, and trigonal-prismatic molecular building blocks

KAUST Repository

Schoedel, Alexander

2013-02-10

The self-assembly of triangular, tetrahedral, and trigonal-prismatic molecular building blocks affords the first example of a trinodal family of metal-organic materials. Four examples of isoreticular expanded and functionalized frameworks are detailed. Gas adsorption experiments validated the permanent porosity of the parent structure. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Allosteric ligands and their binding sites define γ-aminobutyric acid (GABA) type A receptor subtypes.

Science.gov (United States)

Olsen, Richard W

2015-01-01

GABAA receptors (GABA(A)Rs) mediate rapid inhibitory transmission in the brain. GABA(A)Rs are ligand-gated chloride ion channel proteins and exist in about a dozen or more heteropentameric subtypes exhibiting variable age and brain regional localization and thus participation in differing brain functions and diseases. GABA(A)Rs are also subject to modulation by several chemotypes of allosteric ligands that help define structure and function, including subtype definition. The channel blocker picrotoxin identified a noncompetitive channel blocker site in GABA(A)Rs. This ligand site is located in the transmembrane channel pore, whereas the GABA agonist site is in the extracellular domain at subunit interfaces, a site useful for low energy coupled conformational changes of the functional channel domain. Two classes of pharmacologically important allosteric modulatory ligand binding sites reside in the extracellular domain at modified agonist sites at other subunit interfaces: the benzodiazepine site and the high-affinity, relevant to intoxication, ethanol site. The benzodiazepine site is specific for certain GABA(A)R subtypes, mainly synaptic, while the ethanol site is found at a modified benzodiazepine site on different, extrasynaptic, subtypes. In the transmembrane domain are allosteric modulatory ligand sites for diverse chemotypes of general anesthetics: the volatile and intravenous agents, barbiturates, etomidate, propofol, long-chain alcohols, and neurosteroids. The last are endogenous positive allosteric modulators. X-ray crystal structures of prokaryotic and invertebrate pentameric ligand-gated ion channels, and the mammalian GABA(A)R protein, allow homology modeling of GABA(A)R subtypes with the various ligand sites located to suggest the structure and function of these proteins and their pharmacological modulation. © 2015 Elsevier Inc. All rights reserved.

Broadband three-dimensional diamond-shaped invisible cloaks composed of tetrahedral homogeneous blocks

International Nuclear Information System (INIS)

Wang Xinhua; Qu Shaobo; Wu Xiang; Wang Jiafu; Ma Hua; Xu Zhuo

2010-01-01

By means of embedded optical transformation, three-dimensional diamond-shaped invisible cloaks composed of tetrahedral homogeneous blocks have been designed in this paper. The constitutive parameters of the invisible cloaks can be obtained based on the form invariance of Maxwell's equations in coordinate transformation. Numerical methods using the finite element method verified the diamond-shaped cloaks. The invisible properties of the designed cloaks are nearly perfect when the original line section is sufficiently short compared with its counterpart in the after-transformed space. The designed cloaks can operate in a wide bandwidth due to the line transformation in the coordinate transformation process.

Correlation between substrate bias, growth process and structural properties of phosphorus incorporated tetrahedral amorphous carbon films

International Nuclear Information System (INIS)

Liu Aiping; Zhu Jiaqi; Han Jiecai; Wu Huaping; Jia Zechun

2007-01-01

We investigate the growth process and structural properties of phosphorus incorporated tetrahedral amorphous carbon (ta-C:P) films which are deposited at different substrate biases by filtered cathodic vacuum arc technique with PH 3 as the dopant source. The films are characterized by X-ray photoelectron spectroscopy (XPS), atomic force microscopy, Raman spectroscopy, residual stress measurement, UV/VIS/NIR absorption spectroscopy and temperature-dependent conductivity measurement. The atomic fraction of phosphorus in the films as a function of substrate bias is obtained by XPS analysis. The optimum bias for phosphorus incorporation is about -80 V. Raman spectra show that the amorphous structures of all samples with atomic-scaled smooth surface are not remarkably changed when PH 3 is implanted, but some small graphitic crystallites are formed. Moreover, phosphorus impurities and higher-energetic impinging ions are favorable for the clustering of sp 2 sites dispersed in sp 3 skeleton and increase the level of structural ordering for ta-C:P films, which further releases the compressive stress and enhances the conductivity of the films. Our analysis establishes an interrelationship between microstructure, stress state, electrical properties, and substrate bias, which helps to understand the deposition mechanism of ta-C:P films

The Case for Tetrahedral Oxy-subhydride (TOSH Structures in the Exclusion Zones of Anchored Polar Solvents Including Water

Directory of Open Access Journals (Sweden)

Klaus Oehr

2014-11-01

Full Text Available We hypothesize a mechanistic model of how negatively-charged exclusion zones (EZs are created. While the growth of EZs is known to be associated with the absorption of ambient photonic energy, the molecular dynamics giving rise to this process need greater elucidation. We believe they arise due to the formation of oxy-subhydride structures (OH−(H2O4 with a tetrahedral (sp3 (OH−(H2O3 core. Five experimental data sets derived by previous researchers were assessed in this regard: (1 water-derived EZ light absorbance at specific infrared wavelengths, (2 EZ negative potential in water and ethanol, (3 maximum EZ light absorbance at 270 nm ultraviolet wavelength, (4 ability of dimethyl sulphoxide but not ether to form an EZ, and (5 transitory nature of melting ice derived EZs. The proposed tetrahedral oxy-subhydride structures (TOSH appear to adequately account for all of the experimental evidence derived from water or other polar solvents.

INSULIN-SECRETION BY RAT ISLET ISOGRAFTS OF A DEFINED ENDOCRINE VOLUME AFTER TRANSPLANTATION TO 3 DIFFERENT SITES

NARCIS (Netherlands)

VANSUYLICHEM, PTR; STRUBBE, JH; HOUWING, H; WOLTERS, GHJ; VANSCHILFGAARDE, R

1992-01-01

We have analysed the graft function of rat islet isografts of identical and well-defined endocrine volumes after transplantation to three different sites (kidney, liver and spleen). Graft endocrine mass was determined by measuring the total islet volume prior to transplantation and was chosen to be

Insulin secretion by rat islet isografts of a defined endocrine volume after transplantation to three different sites

NARCIS (Netherlands)

Suylichem, P.T.R. van; Strubbe, J.H.; Houwing, H.; Wolters, G.H.J.; Schilfgaarde, R. van

1992-01-01

We have analysed the graft function of rat islet isografts of identical and well-defined endocrine volumes after transplantation to three different sites (kidney, liver and spleen). Graft endocrine mass was determined by measuring the total islet volume prior to transplantation and was chosen to be

Amorphous-tetrahedral diamondlike carbon layered structures resulting from film growth energetics

Science.gov (United States)

Siegal, M. P.; Barbour, J. C.; Provencio, P. N.; Tallant, D. R.; Friedmann, T. A.

1998-08-01

High-resolution transmission electron microscopy (HRTEM) shows that amorphous-tetrahedral diamondlike carbon (a-tC) films grown by pulsed-laser deposition on Si(100) consist of three-to-four layers, depending on the growth energetics. We estimate the density of each layer using both HRTEM image contrast and Rutherford backscattering spectrometry. The first carbon layer and final surface layer have relatively low density. The bulk of the film between these two layers has higher density. For films grown under the most energetic conditions, there exists a superdense a-tC layer between the interface and bulk layers. The density of all four layers, and the thickness of the surface and interfacial layers, correlate well with the energetics of the depositing carbon species.

High-Temperature Decomposition of Brønsted Acid Sites in Gallium-Substituted Zeolites

Energy Technology Data Exchange (ETDEWEB)

K Al-majnouni; N Hould; W Lonergan; D Vlachos; R Lobo

2011-12-31

The dehydroxylation of Broensted acid sites (BAS) in Ga-substituted zeolites was investigated at temperatures up to 850 C using X-ray absorption spectroscopy (XAS), Fourier transform infrared spectroscopy (FTIR), and mass spectrometry-temperature programmed desorption (MS-TPD). X-ray absorption near-edge spectroscopy (XANES) revealed that the majority of gallium has tetrahedral coordination even after complete dehydroxylation. The interatomic gallium-oxygen distance and gallium coordination number determined by extended X-ray absorption fine structure (EXAFS) are consistent with gallium in tetrahedral coordination at low T (< 550 C). Upon heating Ga-Beta and Ga-ZSM5 to 850 C, analysis of the EXAFS showed that 70 and 80% of the gallium was still in tetrahedral coordination. The remainder of the gallium was found to be in octahedral coordination. No trigonal Ga atoms were observed. FTIR measurements carried out at similar temperatures show that the intensity of the OH vibration due to BAS has been eliminated. MS-TPD revealed that hydrogen in addition to water evolved from the samples during dehydroxylation. This shows that dehydrogenation in addition to dehydration is a mechanism that contributes to BAS decomposition. Dehydrogenation was further confirmed by exposing the sample to hydrogen to regenerate some of the BAS as monitored by FTIR and MS-TPD.

Stimulation site within the MRI-defined STN predicts postoperative motor outcome.

Science.gov (United States)

Wodarg, Fritz; Herzog, Jan; Reese, René; Falk, Daniela; Pinsker, Markus O; Steigerwald, Frank; Jansen, Olav; Deuschl, Günther; Mehdorn, H Maximillian; Volkmann, Jens

2012-06-01

High-frequency stimulation of the subthalamic nucleus (STN-HFS) is highly effective in treating motor symptoms in Parkinson's disease (PD) and medication side effects as well as in improving quality of life. Despite preoperative screening for patients as eligible candidates for this treatment, electrode position may furthermore influence treatment quality. Here, we investigated the relationship between the anatomical site of stimulation within the MRI-defined STN and the outcome of PD patients after STN-HFS. In 30 PD patients with bilateral STN stimulation, we retrospectively defined the boundaries of the STN within the axial target plane of the stereotactic T2-weighted MRI and determined the position of the active electrode contact in relation to the border of the STN. The position of the active contact within the STN was the only variable to predict the outcome of STN stimulation. In contrast, covariates such as age, disease duration, symptom severity, and response to levodopa had no effect. The lateral position of the stimulation contact within the STN led to significantly better clinical improvement, lower stimulation parameters, and less need for postoperative dopaminergic medication. The outcome of patients with stimulation contacts within the medial region of the STN was significantly worse. Precise targeting of the lateral region of the STN is essential for achieving sufficient stimulation efficacy. Preoperative T2-weighted MRI might be a useful component of the targeting procedure to improve the outcome of PD patients. Copyright © 2012 Movement Disorder Society.

Three-dimensional modeling of capsule implosions in OMEGA tetrahedral hohlraums

International Nuclear Information System (INIS)

Schnittman, J. D.; Craxton, R. S.

2000-01-01

Tetrahedral hohlraums have been proposed as a means for achieving the highly uniform implosions needed for ignition with inertial confinement fusion (ICF) [J. D. Schnittman and R. S. Craxton, Phys. Plasmas 3, 3786 (1996)]. Recent experiments on the OMEGA laser system have achieved good drive uniformity consistent with theoretical predictions [J. M. Wallace et al., Phys. Rev. Lett. 82, 3807 (1999)]. To better understand these experiments and future investigations of high-convergence ICF implosions, the three-dimensional (3-D) view-factor code BUTTERCUP has been expanded to model the time-dependent radiation transport in the hohlraum and the hydrodynamic implosion of the capsule. Additionally, a 3-D postprocessor has been written to simulate x-ray images of the imploded core. Despite BUTTERCUP's relative simplicity, its predictions for radiation drive temperatures, fusion yields, and core deformation show close agreement with experiment. (c) 2000 American Institute of Physics

Self-assembly of a tetrahedral 58-nuclear barium vanadium oxide cluster.

Science.gov (United States)

Kastner, Katharina; Puscher, Bianka; Streb, Carsten

2013-01-07

We report the synthesis and characterization of a molecular barium vanadium oxide cluster featuring high nuclearity and high symmetry. The tetrameric, 2.3 nm cluster H(5)[Ba(10)(NMP)(14)(H(2)O)(8)[V(12)O(33)](4)Br] is based on a bromide-centred, octahedral barium scaffold which is capped by four previously unknown [V(12)O(33)](6-) clusters in a tetrahedral fashion. The compound represents the largest polyoxovanadate-based heterometallic cluster known to date. The cluster is formed in organic solution and it is suggested that the bulky N-methyl-2-pyrrolidone (NMP) solvent ligands allow the isolation of this giant molecule and prevent further condensation to a solid-state metal oxide. The cluster is fully characterized using single-crystal XRD, elemental analysis, ESI mass spectrometry and other spectroscopic techniques.

Matrix elements of vibration kinetic energy operator of tetrahedral molecules in non-orthogonal-dependent coordinates

Science.gov (United States)

Protasevich, Alexander E.; Nikitin, Andrei V.

2018-01-01

In this work, we propose an algorithm for calculating the matrix elements of the kinetic energy operator for tetrahedral molecules. This algorithm uses the dependent six-angle coordinates (6A) and takes into account the full symmetry of molecules. Unlike A.V. Nikitin, M. Rey, and Vl. G. Tyuterev who operate with the kinetic energy operator only in Radau orthogonal coordinates, we consider a general case. The matrix elements are shown to be a sum of products of one-dimensional integrals.

A Deep Penetration Problem Calculation Using AETIUS:An Easy Modeling Discrete Ordinates Transport Code UsIng Unstructured Tetrahedral Mesh, Shared Memory Parallel

Science.gov (United States)

KIM, Jong Woon; LEE, Young-Ouk

2017-09-01

As computing power gets better and better, computer codes that use a deterministic method seem to be less useful than those using the Monte Carlo method. In addition, users do not like to think about space, angles, and energy discretization for deterministic codes. However, a deterministic method is still powerful in that we can obtain a solution of the flux throughout the problem, particularly as when particles can barely penetrate, such as in a deep penetration problem with small detection volumes. Recently, a new state-of-the-art discrete-ordinates code, ATTILA, was developed and has been widely used in several applications. ATTILA provides the capabilities to solve geometrically complex 3-D transport problems by using an unstructured tetrahedral mesh. Since 2009, we have been developing our own code by benchmarking ATTILA. AETIUS is a discrete ordinates code that uses an unstructured tetrahedral mesh such as ATTILA. For pre- and post- processing, Gmsh is used to generate an unstructured tetrahedral mesh by importing a CAD file (*.step) and visualizing the calculation results of AETIUS. Using a CAD tool, the geometry can be modeled very easily. In this paper, we describe a brief overview of AETIUS and provide numerical results from both AETIUS and a Monte Carlo code, MCNP5, in a deep penetration problem with small detection volumes. The results demonstrate the effectiveness and efficiency of AETIUS for such calculations.

Delaunay Tetrahedralization of the Heart Based on Integration of Open Source Codes

International Nuclear Information System (INIS)

Pavarino, E; Neves, L A; Machado, J M; Momente, J C; Zafalon, G F D; Pinto, A R; Valêncio, C R; Godoy, M F de; Shiyou, Y; Nascimento, M Z do

2014-01-01

The Finite Element Method (FEM) is a way of numerical solution applied in different areas, as simulations used in studies to improve cardiac ablation procedures. For this purpose, the meshes should have the same size and histological features of the focused structures. Some methods and tools used to generate tetrahedral meshes are limited mainly by the use conditions. In this paper, the integration of Open Source Softwares is presented as an alternative to solid modeling and automatic mesh generation. To demonstrate its efficiency, the cardiac structures were considered as a first application context: atriums, ventricles, valves, arteries and pericardium. The proposed method is feasible to obtain refined meshes in an acceptable time and with the required quality for simulations using FEM

Nuclear spin relaxation due to motion on inequivalent sites: H diffusion on O and T sites in the face-centred cubic structure

International Nuclear Information System (INIS)

Luo Xinjun; Sholl, C A

2003-01-01

Magnetization recoveries for nuclear spin relaxation of like spins due to magnetic dipolar coupling and diffusion on inequivalent sites involve a sum of exponentials. The theory is applied to diffusion on octahedral and tetrahedral interstitial sites in the face-centred cubic structure. Monte Carlo simulations have been used to generate relaxation data for parameters typical for H in metals. It is found that only a single exponential would be observable in the high- and low-temperature limits, but that two-exponential recoveries could be observable in the vicinity of the maximum in the relaxation rate as a function of temperature. The Monte Carlo relaxation data has been fitted using a Bloembergen-Pound-Purcell (BPP) model to assess the accuracy of the BPP model

Defining the framework for environmentally compliant cleanup: The Hanford site tri-party agreement

International Nuclear Information System (INIS)

Austin, B.A.; Wisness, S.H.

1994-01-01

The Hanford Federal Facility Agreement and Consent Order, commonly called the Tri-Party Agreement, was signed by the U.S. Environmental Protection Agency (EPA), the State of Washington Department of Ecology (Ecology), and the U.S. Department of Energy (DOE) in May of 1989. It was the first three-party agreement of its magnitude in the country and was touted as a landmark agreement. It was one of the most significant actions that has been taken to define the framework for environmentally compliant cleanup actions at the Hanford Site. Accomplishments thus far represent a lot of planning, permitting, and development activities either required by regulation or necessary to ensure an adequate infrastructure to support cleanup activities. Actual cleanup work and construction of new facilities are beginning to accelerate as the Hanford Site moves out of study and development phases into actual cleanup activities. Significant changes to the Hanford Tri-Party Agreement were negotiated between May 1993 and January 1994. These negotiations were precipitated by the completion of a 15-month rebaselining study of the Hanford Site's Tank Waste Remediation System. The revised agreement is based on comments and values the three agencies heard from people of the region during the negotiation process. The recent renegotiation reflected an ability of the agencies and the agreement to change commensurate with technical, economic, and political realities of today. Hanford has moved into a new era of public participation which will continue to watch and guide cleanup efforts in manners satisfactory to regional concerns and values

Defining the learning curve of laparoendoscopic single-site Heller myotomy.

Science.gov (United States)

Ross, Sharona B; Luberice, Kenneth; Kurian, Tony J; Paul, Harold; Rosemurgy, Alexander S

2013-08-01

Initial outcomes suggest laparoendoscopic single-site (LESS) Heller myotomy with anterior fundoplication provides safe, efficacious, and cosmetically superior outcomes relative to conventional laparoscopy. This study was undertaken to define the learning curve of LESS Heller myotomy with anterior fundoplication. One hundred patients underwent LESS Heller myotomy with anterior fundoplication. Symptom frequency and severity were scored using a Likert scale (0 = never/not bothersome to 10 = always/very bothersome). Symptom resolution, additional trocars, and complications were compared among patient quartiles. Median data are presented. Preoperative frequency/severity scores were: dysphagia = 10/8 and regurgitation = 8/7. Additional trocars were placed in 12 patients (10%), of whom all were in the first two quartiles. Esophagotomy/gastrotomy occurred in three patients. Postoperative complications occurred in 9 per cent. No conversions to "open" operations occurred. Length of stay was 1 day. Postoperative frequency/severity scores were: dysphagia = 2/0 and regurgitation = 0/0; scores were less than before myotomy (P Heller myotomy with anterior fundoplication well palliates symptoms of achalasia with no apparent scar. Placement of additional trocars only occurred early in the experience. For surgeons proficient with the conventional laparoscopic approach, the learning curve of LESS Heller myotomy with anterior fundoplication is short and safe, because proficiency is quickly attained.

Polyamorphism in tetrahedral substances: Similarities between silicon and ice

Science.gov (United States)

Garcez, K. M. S.; Antonelli, A.

2015-07-01

Tetrahedral substances, such as silicon, water, germanium, and silica, share various unusual phase behaviors. Among them, the so-called polyamorphism, i.e., the existence of more than one amorphous form, has been intensively investigated in the last three decades. In this work, we study the metastable relations between amorphous states of silicon in a wide range of pressures, using Monte Carlo simulations. Our results indicate that the two amorphous forms of silicon at high pressures, the high density amorphous (HDA) and the very high density amorphous (VHDA), can be decompressed from high pressure (˜20 GPa) down to the tensile regime, where both convert into the same low density amorphous. Such behavior is also observed in ice. While at high pressure (˜20 GPa), HDA is less stable than VHDA, at the pressure of 10 GPa both forms exhibit similar stability. On the other hand, at much lower pressure (˜5 GPa), HDA and VHDA are no longer the most stable forms, and, upon isobaric annealing, an even less dense form of amorphous silicon emerges, the expanded high density amorphous, again in close similarity to what occurs in ice.

A crystallographic and spectroscopic study of crystal sites in the 'spinel' structure; Etude cristallographique et spectroscopique des sites cristallins dans la structure 'spinelle'

Energy Technology Data Exchange (ETDEWEB)

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

1967-06-15

A crystallographic study on magnesium aluminates led to the determination of crystal site average distortion. A spectroscopic study of transition elements doped spinels gave the position of the doping element in tetrahedral (A) or octahedral (B) sites, and the local distortion of the latter. The comparison of average and local parameters points to differences in the behaviour of doping elements and shows the size of (A) sites are independent of the host crystal composition while the average size of (B) sites varies with the composition. (author) [French] Une etude cristallographique des aluminates de magnesium a permis de determiner la deformation moyenne des sites cristallins. Une etude spectroscopique des aluminates de magnesium dopes avec des elements de transition a permis de localiser les dopants entre les sites tetraedriques (A) et octaedriques (B) et d'etudier la deformation locale de ces sites. La comparaison entre les parametres moyens et locaux a caracterise le comportement du dopant et montre que les dimensions des sites (A) sont independantes de la composition de la matrice, alors que les caracteristiques geometriques moyennes des sites (B) varient continument avec la composition. (auteur)

Comprehensive understanding of mole concept subject matter according to the tetrahedral chemistry education (empirical study on the first-year chemistry students of Technische Universität Dresden)

Science.gov (United States)

Prabowo, D. W.; Mulyani, S.; van Pée, K.-H.; Indriyanti, N. Y.

2018-05-01

This research aims to apprehend: (1) the shape of tetrahedral chemistry education which is called the future of chemistry education, (2) comprehensive understanding of chemistry first-year students of Technische Universität Dresden according to the chemistry education’s tetrahedral shape on mole concept subject matter. This research used quantitative and qualitative; paper and pencil test and interview. The former was conducted in the form of test containing objective test instrument. The results of this study are (1) learning based on tetrahedral shape of chemistry education put the chemical substance (macroscopic), symbolic representation (symbol), and its process (molecular) in the context of human beings (human element) by integrating content and context, without emphasis on one thing and weaken another, (2) first-year chemistry students of Technische Universität Dresden have comprehensively understood the mole concept associated with the context of everyday life, whereby students are able to find out macroscopic information from statements that are contextual to human life and then by using symbols and formulas are able to comprehend the molecular components as well as to interpret and analyse problems effectively.

Ultrafast carrier dynamics in tetrahedral amorphous carbon: carrier trapping versus electron-hole recombination

International Nuclear Information System (INIS)

Carpene, E; Mancini, E; Dallera, C; Schwen, D; Ronning, C; Silvestri, S De

2007-01-01

We report the investigation of the ultrafast carrier dynamics in thin tetrahedral amorphous carbon films by means of femtosecond time-resolved reflectivity. We estimated the electron-phonon relaxation time of a few hundred femtoseconds and we observed that under low optical excitation photo-generated carriers decay according to two distinct mechanisms attributed to trapping by defect states and direct electron-hole recombination. With high excitation, when photo-carrier and trap densities are comparable, a unique temporal evolution develops, as the time dependence of the trapping process becomes degenerate with the electron-hole recombination. This experimental evidence highlights the role of defects in the ultrafast electronic dynamics and is not specific to this particular form of carbon, but has general validity for amorphous and disordered semiconductors

Molecular dinamics of tetrahedral clelate compounds of Cd(2) in solutions

International Nuclear Information System (INIS)

Nivorozhkin, L.E.; Minkin, V.I.; Borisenko, N.I.; Konstantinovskij, L.E.; Korobov, M.S.; Olekhnovich, R.Ya.

1981-01-01

Interconversion kinetics of enantiomers of tetrahedral intracomplex compounds of metals (ICM) on the base of unsymmetric ligands in solu-- tions is studied for several series of compounds according to the temperature dependence of the shape of line of prochiral substituents using the methods of the dynamic NMR (DNMR). The use of tetracoordinated ICM in the solutions of synthesized compounds of Cd(2) with the inclusion of magnetic isotope 111 Cd(S=1/2) to study molecular dynamics and the application of the corresponding methods of calculation of the DNMR signal forms permitted to clearly separate the mechanisms of digonal twist and degenerated ligand exchange. In ICM solutions the low-barrier transformations, connected with intramolecular digonal twist, take place as well as high-barrier processes of degenerated ligand exchange. The technique suggested can be applied to the studies of ICM molecular dynamics with other magnetic isotopes of metals ( 207 Pb, 199 Hg, etc.) and rapid non-degenerated ligand exchanges [ru

Interacting spin-1/2 tetrahedral system Cu2Te2O5X2 (X = Cl, Br)

DEFF Research Database (Denmark)

Jensen, Jens

2009-01-01

Magnetic ordering and excitations of Cu2Te2O5Cl2 are analyzed in terms of a tetramerized spin model for the tetrahedral Cu clusters of spin 1/2. The mean-field model is able to account for the main properties of the incommensurable magnetic structure observed by Zaharko et al. [Phys. Rev. B 73......-dimensional fashion. Preliminary model calculations for the Cu2Te2O5Br2 system lead to the same conclusion. Udgivelsesdato: 7. Januar...

Valence states and occupation sites in (Fe,Mn){sub 3}O{sub 4} spinel oxides investigated by soft x-ray absorption spectroscopy and magnetic circular dichroism

Energy Technology Data Exchange (ETDEWEB)

Lee, H J; Kim, G; Kim, D H; Kang, J-S [Department of Physics, Catholic University of Korea (CUK), Bucheon 420-743 (Korea, Republic of); Zhang, C L; Cheong, S-W [Rutgers Center for Emergent Materials and Department of Physics, Rutgers University, Piscataway, NJ 08854 (United States); Shim, J H; Lee, Soonchil [Department of Physics, KAIST, Daejeon 305-701 (Korea, Republic of); Lee, Hangil; Kim, J-Y [Pohang Accelerator Laboratory (PAL), POSTECH, Pohang 790-784 (Korea, Republic of); Kim, B H; Min, B I [Department of Physics, POSTECH, Pohang 790-784 (Korea, Republic of)], E-mail: kangjs@catholic.ac.kr

2008-07-23

The electronic structures of (Fe,Mn){sub 3}O{sub 4} spinel oxides have been investigated by employing soft-x-ray absorption spectroscopy (XAS) and soft x-ray magnetic circular dichroism (XMCD). We have determined the valence states as well as the occupation sites of Mn and Fe ions in Fe{sub 0.9}Mn{sub 2.1}O{sub 4} and MnFe{sub 2}O{sub 4}. Fe{sub 0.9}Mn{sub 2.1}O{sub 4} is found to be close to the inverse spinel (the inversion parameter y{approx}0.85), while MnFe{sub 2}O{sub 4} is close to the normal spinel (y{approx}0.2). In Fe{sub 0.9}Mn{sub 2.1}O{sub 4}, Fe ions are mainly trivalent and the majority of Fe{sup 3+} ions occupy the octahedral B sites, while Mn ions are mixed-valent with approximately 45% Mn{sub A}{sup 2+} at the tetrahedral A sites and 55% Mn{sub B}{sup 3+} ions at the octahedral B sites. In MnFe{sub 2}O{sub 4}, Mn ions are mainly divalent and the majority of Mn{sup 2+} ions occupy the tetrahedral A sites, while Fe ions are mainly trivalent and the majority of Fe{sup 3+} ions occupy the octahedral B sites.

Soft Chemistry, Coloring and Polytypism in Filled Tetrahedral Semiconductors: Toward Enhanced Thermoelectric and Battery Materials.

Science.gov (United States)

White, Miles A; Medina-Gonzalez, Alan M; Vela, Javier

2018-03-12

Filled tetrahedral semiconductors are a rich family of compounds with tunable electronic structure, making them ideal for applications in thermoelectrics, photovoltaics, and battery anodes. Furthermore, these materials crystallize in a plethora of related structures that are very close in energy, giving rise to polytypism through the manipulation of synthetic parameters. This Minireview highlights recent advances in the solution-phase synthesis and nanostructuring of these materials. These methods enable the synthesis of metastable phases and polytypes that were previously unobtainable. Additionally, samples synthesized in solution phase have enhanced thermoelectric performance due to their decreased grain size. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Site occupancy and magnetic study of Al3+ and Cr3+ co-substituted Y3Fe5O12

International Nuclear Information System (INIS)

Bouziane, K.; Yousif, A.; Widatallah, H.M.; Amighian, J.

2008-01-01

Single-phased polycrystalline Y 3 Fe 5-2x Al x Cr x O 12 garnet samples (x=0, 0.2, 0.4 and 0.6) have been prepared by the conventional ceramic technique. Rietveld refinement of X-ray diffraction patterns of the samples shows them to crystallize in the Ia3d space group and the corresponding lattice constant to decrease with increasing Al 3+ and Cr 3+ contents (x). Moessbauer results indicate that Cr 3+ substitutes for Fe 3+ at the octahedral sites whilst Al 3+ essentially replaces Fe 3+ at the tetrahedral sites. This result indicates that co-doping of Y 3 Fe 5 O 12 does not affect the preferential site occupancy for separate individual substitution of either Cr 3+ or Al 3+ . The magnetization measurements reveal that the Curie temperature (T c ) monotonically decreases with increasing x while the magnetic moment per unit formula decreases up to x=0.4 and then slightly increases for x=0.6. This reflects a progressive weakening of the ferrimagnetic exchange interaction between the Fe 3+ ions at octahedral and tetrahedral sites due to co-substitution. The magnetic moment was calculated using the cations distribution inferred from the Moessbauer data and the collinear ferrimagnetic model, and was found to agree reasonably with the experimentally measured value. The phenomenological amplitude crossover, characterized by the temperature T*, has also been observed in the doped YIG and briefly discussed

Well-Defined Silica Supported Aluminum Hydride: Another Step Towards the Utopian Single Site Dream?

KAUST Repository

Werghi, Baraa; Bendjeriou-Sedjerari, Anissa; Sofack-Kreutzer, Julien; Jedidi, Abdesslem; Abou-Hamad, Edy; Cavallo, Luigi; Basset, Jean-Marie

2015-01-01

Reaction of triisobutylaluminum with SBA15700 at room temperature occurs by two parallel pathways involving either silanol or siloxane bridges. It leads to the formation of a well-defined bipodal [(≡SiO)2Al-CH2CH(CH3)2] 1a, silicon isobutyl [≡Si-CH2CH(CH3)2] 1b and a silicon hydride [≡Si-H] 1c. Their structural identity was characterized by FT-IR and advance solid-state NMR spectroscopies (1H, 13C, 29Si, 27Al and 2D multiple quantum), elemental and gas phase analysis, and DFT calculations. The reaction involves the formation of a highly reactive monopodal intermediate: [≡SiO-Al-[CH2CH(CH3)2]2], with evolution of isobutane. This intermediate undergoes two parallel routes: Transfer of either one isobutyl fragment or of one hydride to an adjacent silicon atom. Both processes occur by opening of a strained siloxane bridge, ≡Si-O-Si≡ but with two different mechanisms, showing that the reality of “single site” catalyst may be an utopia: DFT calculations indicate that isobutyl transfer occurs via a simple metathesis between the Al-isobutyl and O-Si bonds, while hydride transfer occurs via a two steps mechanism, the first one is a ß-H elimination to Al with elimination of isobutene, whereas the second is a metathesis step between the formed Al-H bond and a O-Si bond. Thermal treatment of 1a (at 250 °C) under high vacuum (10-5 mbar) generates Al-H through a ß-H elimination of isobutyl fragment. These supported well-defined Al-H which are highly stable with time, are tetra, penta and octa coordinated as demonstrated by IR and 27Al–1H J-HMQC NMR spectroscopy. All these observations indicate that surfaces atoms around the site of grafting play a considerable role in the reactivity of a single site system.

Well-Defined Silica Supported Aluminum Hydride: Another Step Towards the Utopian Single Site Dream?

KAUST Repository

Werghi, Baraa

2015-07-17

Reaction of triisobutylaluminum with SBA15700 at room temperature occurs by two parallel pathways involving either silanol or siloxane bridges. It leads to the formation of a well-defined bipodal [(≡SiO)2Al-CH2CH(CH3)2] 1a, silicon isobutyl [≡Si-CH2CH(CH3)2] 1b and a silicon hydride [≡Si-H] 1c. Their structural identity was characterized by FT-IR and advance solid-state NMR spectroscopies (1H, 13C, 29Si, 27Al and 2D multiple quantum), elemental and gas phase analysis, and DFT calculations. The reaction involves the formation of a highly reactive monopodal intermediate: [≡SiO-Al-[CH2CH(CH3)2]2], with evolution of isobutane. This intermediate undergoes two parallel routes: Transfer of either one isobutyl fragment or of one hydride to an adjacent silicon atom. Both processes occur by opening of a strained siloxane bridge, ≡Si-O-Si≡ but with two different mechanisms, showing that the reality of “single site” catalyst may be an utopia: DFT calculations indicate that isobutyl transfer occurs via a simple metathesis between the Al-isobutyl and O-Si bonds, while hydride transfer occurs via a two steps mechanism, the first one is a ß-H elimination to Al with elimination of isobutene, whereas the second is a metathesis step between the formed Al-H bond and a O-Si bond. Thermal treatment of 1a (at 250 °C) under high vacuum (10-5 mbar) generates Al-H through a ß-H elimination of isobutyl fragment. These supported well-defined Al-H which are highly stable with time, are tetra, penta and octa coordinated as demonstrated by IR and 27Al–1H J-HMQC NMR spectroscopy. All these observations indicate that surfaces atoms around the site of grafting play a considerable role in the reactivity of a single site system.

A crystallographic and spectroscopic study of crystal sites in the 'spinel' structure; Etude cristallographique et spectroscopique des sites cristallins dans la structure 'spinelle'

Energy Technology Data Exchange (ETDEWEB)

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

1967-06-15

A crystallographic study on magnesium aluminates led to the determination of crystal site average distortion. A spectroscopic study of transition elements doped spinels gave the position of the doping element in tetrahedral (A) or octahedral (B) sites, and the local distortion of the latter. The comparison of average and local parameters points to differences in the behaviour of doping elements and shows the size of (A) sites are independent of the host crystal composition while the average size of (B) sites varies with the composition. (author) [French] Une etude cristallographique des aluminates de magnesium a permis de determiner la deformation moyenne des sites cristallins. Une etude spectroscopique des aluminates de magnesium dopes avec des elements de transition a permis de localiser les dopants entre les sites tetraedriques (A) et octaedriques (B) et d'etudier la deformation locale de ces sites. La comparaison entre les parametres moyens et locaux a caracterise le comportement du dopant et montre que les dimensions des sites (A) sont independantes de la composition de la matrice, alors que les caracteristiques geometriques moyennes des sites (B) varient continument avec la composition. (auteur)

LiBSi2: a tetrahedral semiconductor framework from boron and silicon atoms bearing lithium atoms in the channels.

Science.gov (United States)

Zeilinger, Michael; van Wüllen, Leo; Benson, Daryn; Kranak, Verina F; Konar, Sumit; Fässler, Thomas F; Häussermann, Ulrich

2013-06-03

Silicon swallows up boron: The novel open tetrahedral framework structure (OTF) of the Zintl phase LiBSi2 was made by applying high pressure to a mixture of LiB and elemental silicon. The compound represents a new topology in the B-Si net (called tum), which hosts Li atoms in the channels (see picture). LiBSi2 is the first example where B and Si atoms form an ordered common framework structure with B engaged exclusively in heteronuclear B-Si contacts.

Ion-Assisted Pulsed Laser Deposition of amorphous tetrahedral-coordinated carbon films

Science.gov (United States)

Friedmann, T. A.; Tallant, D. R.; Sullivan, J. P.; Siegal, M. P.; Simpson, R. L.

1994-04-01

A parametric study has been performed of amorphous tetrahedral carbon (a-tC) films produced by ion-assisted pulsed laser deposition (IAPLD). The ion voltage, current density, and feed gas composition (nitrogen in argon) have been varied. The resultant films were characterized by thickness, residual stress, Raman spectroscopy, and electrical resistivity. The Raman spectra have been fit to two gaussian peaks, the so called graphitic (G) peak and the disorder (D) peak. It has been found that the magnitude of the D peak and the residual compressive stress are inversely correlated. At low beam voltages and currents, the magnitude of the D peak is low, increasing as the ion beam voltage and current are raised. The ion beam voltage has the most dramatic effect on the magnitude of the D peak. At low voltages (200-500 V) the magnitude of the D peak is greater for ion beams with high percentages of nitrogen possibly indicative of C-N bonding in the films. At higher voltages (500-1500 V) the D peak intensity is less sensitive to the nitrogen content of the beam.

Results and simulations on γ-spectroscopy of deformed nuclei: cases of isomers and tetrahedral nuclei

International Nuclear Information System (INIS)

Vancraeyenest, A.

2010-10-01

The major part of this work is about the realization and complete analysis of an experiment for studying isomeric states in 138,139,140 Nd nuclei. This was performed at Jyvaeskylae laboratory (Finland) using a fusion-evaporation reaction with 48 Ca beam on a thin 96 Zr target. Experimental setup consisted in the target position gamma ray detector Jurogam II which was coupled with the RITU recoil separator and the GREAT focal plane detector array. This particularly well adapted setup permit to manage γ spectroscopy of the interest nuclei around isomeric states. Indeed, we used prompt-delayed matrices to separate rays that come onto isomeric states and these who decay from them. Then, the correlations between the two components permit to establish feeding transitions of isomeric states. Thanks to this experiment, a new isomeric state was also highlighted in 139 Nd with spin 23/2+, which was predicted and interpreted in Cranked-Nilsson-Strutinsky calculation. Finally, very clean time spectra allow to determine precisely life-time of four states in four nuclei. This Ph.d. is also made of a part of the analysis of the first experimental search for fingerprints of tetrahedral symmetry in 156 Gd using high fold gamma ray spectroscopy. Thanks to a large number of triple coincidence events, we managed a detailed spectroscopy of this nucleus. Particularly, we found out 13 new transitions in positive parity bands. As a complement of this work, we have done GEANT4 simulations about the detection limits of low intensity transitions by Agata multidetector. Indeed, tetrahedral symmetry predicts vanishing of E2 transitions at lower spin states and simulations permit to determine observation limit of these transitions with different version of Agata. (author)

Order-disorder transition in the complex lithium spinel Li2CoTi3O8

International Nuclear Information System (INIS)

Reeves, Nik; Pasero, Denis; West, Anthony R.

2007-01-01

Li 2 CoTi 3 O 8 has an ordered Li 2 BB' 3 O 8 spinel structure, space group P4 3 32, at room temperature with 3:1 ordering of Ti and Li on the octahedral sites, and Li, Co disordered over the tetrahedral site. Rietveld refinement of variable temperature neutron powder diffraction data has shown an order-disorder phase transition in Li 2 CoTi 3 O 8 which commences at ∼500 deg. C with Li and Co mixing on the tetrahedral and 4-fold octahedral sites and is complete at a first order structural discontinuity at ∼915 deg. C. The fraction of Ti on the 12-fold octahedral site exhibits a small decrease with increasing temperature, which may suggest that the disordering involves all three cations. Above 930 deg. C, the structure, space group Fd3-barm, has Li, Co and Ti sharing a single-octahedral site and Li, Co sharing a tetrahedral site, although Co still exhibits a preference for tetrahedral coordination. A labelling scheme for ordered and partially ordered 3:1 spinels is devised which focuses on the occupancy of the Li,B cations. - Graphical abstract: Rietveld refinement of variable temperature neutron powder diffraction data shows an order-disorder phase transition in Li 2 CoTi 3 O 8 commencing at ∼500 deg. C with Li,Co mixing on tetrahedral and octahedral sites. This becomes complete at a first-order structural discontinuity at ∼915 deg. C. Above 930 deg. C, the structure, space group Fd3-barm, has Li, Co and Ti sharing a single-octahedral site and Li, Co sharing a tetrahedral site

Decoration of the Truncated Tetrahedron—An Archimedean Polyhedron—To Produce a New Class of Convex Equilateral Polyhedra with Tetrahedral Symmetry

Directory of Open Access Journals (Sweden)

Stan Schein

2016-08-01

Full Text Available The Goldberg construction of symmetric cages involves pasting a patch cut out of a regular tiling onto the faces of a Platonic host polyhedron, resulting in a cage with the same symmetry as the host. For example, cutting equilateral triangular patches from a 6.6.6 tiling of hexagons and pasting them onto the full triangular faces of an icosahedron produces icosahedral fullerene cages. Here we show that pasting cutouts from a 6.6.6 tiling onto the full hexagonal and triangular faces of an Archimedean host polyhedron, the truncated tetrahedron, produces two series of tetrahedral (Td fullerene cages. Cages in the first series have 28n2 vertices (n ≥ 1. Cages in the second (leapfrog series have 3 × 28n2. We can transform all of the cages of the first series and the smallest cage of the second series into geometrically convex equilateral polyhedra. With tetrahedral (Td symmetry, these new polyhedra constitute a new class of “convex equilateral polyhedra with polyhedral symmetry”. We also show that none of the other Archimedean polyhedra, six with octahedral symmetry and six with icosahedral, can host full-face cutouts from regular tilings to produce cages with the host’s polyhedral symmetry.

Highly parallel demagnetization field calculation using the fast multipole method on tetrahedral meshes with continuous sources

Science.gov (United States)

Palmesi, P.; Exl, L.; Bruckner, F.; Abert, C.; Suess, D.

2017-11-01

The long-range magnetic field is the most time-consuming part in micromagnetic simulations. Computational improvements can relieve problems related to this bottleneck. This work presents an efficient implementation of the Fast Multipole Method [FMM] for the magnetic scalar potential as used in micromagnetics. The novelty lies in extending FMM to linearly magnetized tetrahedral sources making it interesting also for other areas of computational physics. We treat the near field directly and in use (exact) numerical integration on the multipole expansion in the far field. This approach tackles important issues like the vectorial and continuous nature of the magnetic field. By using FMM the calculations scale linearly in time and memory.

Study of hydrogen implanted in aluminium

International Nuclear Information System (INIS)

Bugeat, J.P.; Chami, A.C.; Danielou, R.; Ligeon, E.

1976-01-01

An aluminium sample was implanted with deuterium and hydrogen at 5keV and 10keV respectively. The 1 H( 11 B,α) 8 Be* and D( 3 He,p) 4 He reactions were used for the analysis of H and D respectively. The implanted deuterium was shown to be as a whole in a tetrahedral site as far as the implantation temperature is lower than 175K, beyond that temperature the deuterium is randomly located. When the implantation temperature increases from 33K up to 275K the tetrahedral siting remains during annealing. The migration temperatures of hydrogen (or temperature of transition from the tetrahedral siting to a random distribution) experimentally observed during annealing (300K) and for increased implantation temperatures, show that the tetrahedral site is associated with a monovacancy migrating at 300K, the diffusion temperature of hydrogen being lower than 180K [fr

Assessment of candidate sites for disposal of treated effluents at the Hanford Site, Washington

International Nuclear Information System (INIS)

Davis, J.D.

1992-01-01

A rigidly defined evaluation process was used to recommend a preferred location to dispose of treated effluents from facilities in the 200 Areas of the US Department of Energy's Hanford Site in Washington State. First, siting constraints were defined based on functional design considerations and siting guidelines. Then, criteria for selecting a preferred site from among several candidates were identified and their relative importance defined. Finally, the weighted criteria were applied and a site was selected for detailed characterization by subsurface investigations

Fast and Exact Fiber Surfaces for Tetrahedral Meshes.

Science.gov (United States)

Klacansky, Pavol; Tierny, Julien; Carr, Hamish; Zhao Geng

2017-07-01

Isosurfaces are fundamental geometrical objects for the analysis and visualization of volumetric scalar fields. Recent work has generalized them to bivariate volumetric fields with fiber surfaces, the pre-image of polygons in range space. However, the existing algorithm for their computation is approximate, and is limited to closed polygons. Moreover, its runtime performance does not allow instantaneous updates of the fiber surfaces upon user edits of the polygons. Overall, these limitations prevent a reliable and interactive exploration of the space of fiber surfaces. This paper introduces the first algorithm for the exact computation of fiber surfaces in tetrahedral meshes. It assumes no restriction on the topology of the input polygon, handles degenerate cases and better captures sharp features induced by polygon bends. The algorithm also allows visualization of individual fibers on the output surface, better illustrating their relationship with data features in range space. To enable truly interactive exploration sessions, we further improve the runtime performance of this algorithm. In particular, we show that it is trivially parallelizable and that it scales nearly linearly with the number of cores. Further, we study acceleration data-structures both in geometrical domain and range space and we show how to generalize interval trees used in isosurface extraction to fiber surface extraction. Experiments demonstrate the superiority of our algorithm over previous work, both in terms of accuracy and running time, with up to two orders of magnitude speedups. This improvement enables interactive edits of range polygons with instantaneous updates of the fiber surface for exploration purpose. A VTK-based reference implementation is provided as additional material to reproduce our results.

Rietveld refinement of the mixed boracite Fe1.59Zn1.41B7O13Br

Directory of Open Access Journals (Sweden)

Sandra Ulloa-Godínez

2009-11-01

Full Text Available The structural characterization of the new iron–zinc heptaborate bromide with composition Fe1.59Zn1.41B7O13Br, prepared by chemical transport is reported. A rigid-body model with constrained generalized coordinates was defined in order to hold the positions of the B atoms at reasonable interatomic distances that typically would reach unacceptable values because of the weak scattering power of boron. There are three independent sites for the B atoms of which two are tetrahedrally coordinated. The bond-valence sum around the third B atom, located on a threefold rotation axis, was calculated considering two cases of coordination of boron with oxygens: trigonal-planar and tetrahedral. The contribution of the fourth O atom to the bond-valence sum was found to be only 0.06 v.u., indicating the presence of a very weak bond in the right position to have a distorted tetrahedral coordination in favour of the trigonal-planar coordination for the third B atom. X-ray fluorescence (XRF was used to determinate the Fe/Zn ratio.

Rietveld refinement of the mixed boracite Fe(1.59)Zn(1.41)B(7)O(13)Br.

Science.gov (United States)

Ulloa-Godínez, Sandra; Rosales, Ivonne; Bucio, Lauro; Farías, Mario H; Campa-Molina, Jorge

2009-10-31

The structural characterization of the new iron-zinc hepta-borate bromide with composition Fe(1.59)Zn(1.41)B(7)O(13)Br, prepared by chemical transport is reported. A rigid-body model with constrained generalized coordinates was defined in order to hold the positions of the B atoms at reasonable inter-atomic distances that typically would reach unacceptable values because of the weak scattering power of boron. There are three independent sites for the B atoms of which two are tetra-hedrally coordinated. The bond-valence sum around the third B atom, located on a threefold rotation axis, was calculated considering two cases of coordination of boron with oxygens: trigonal-planar and tetrahedral. The contribution of the fourth O atom to the bond-valence sum was found to be only 0.06 v.u., indicating the presence of a very weak bond in the right position to have a distorted tetra-hedral coordination in favour of the trigonal-planar coordination for the third B atom. X-ray fluorescence (XRF) was used to determinate the Fe/Zn ratio.

LiBSi{sub 2}: a tetrahedral semiconductor framework from boron and silicon atoms bearing lithium atoms in the channels

Energy Technology Data Exchange (ETDEWEB)

Zeilinger, Michael; Faessler, Thomas F. [Department of Chemistry, Technische Universitaet Muenchen, Garching (Germany); Wuellen, Leo van [Department of Physics, University of Augsburg (Germany); Benson, Daryn [Department of Physics, Arizona State University, Tempe, AZ (United States); Kranak, Verina F.; Konar, Sumit; Haeussermann, Ulrich [Department of Materials and Environmental Chemistry, Stockholm University (Sweden)

2013-06-03

Silicon swallows up boron. The novel open tetrahedral framework structure (OTF) of the Zintl phase LiBSi{sub 2} was made by applying high pressure to a mixture of LiB and elemental silicon. The compound represents a new topology in the B-Si net (called tum), which hosts Li atoms in the channels. LiBSi{sub 2} is the first example where B and Si atoms form an ordered common framework structure with B engaged exclusively in heteronuclear B-Si contacts. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Lattice sites and stability of implanted Er in FZ and CZ Si

CERN Document Server

Wahl, U; Langouche, G; Vantomme, A

1998-01-01

We report on the lattice location of $^{167}$Er in Si measured by conversion electron emission channeling. In both FZ and CZ Si, a high fraction of Er (>65%) occupies near-tetrahedral interstitial (T) sites directly following 60 keV room temperature implantation at doses of 6 $\\times 10^{12}$ cm$^{-2}$. For higher doses, the as-implanted near-T fractions of Er visible by emission channeling are smaller, due to the beginning of amorphization. Following the recovery of implantation damage at 600°C, more than 70% of Er is found on near-T sites in both FZ and CZ Si. In FZ Si, Er exhibits a remarkable thermal stability and only prolonged annealing for several hours reduces the near-T fraction. On the other hand, annealing of CZ Si at 900°C for more than 10 minutes results in the majority of Er probes in sites of very low symmetry or disordered surroundings.

Lattice location of Tm in Si and Ge determined from ion channeling followed by Monte Carlo simulations

International Nuclear Information System (INIS)

Yamamoto, Y.; Wakaiki, M.; Ikeda, A.; Kido, Y.

1999-01-01

The lattice location of Tm implanted into Si(1 0 0) and Ge(1 1 1) with energy of 180 keV was determined precisely by ion channeling followed by Monte Carlo simulations of ion trajectories. The implantations were performed at 550 deg. C with a dose of 5 x 10 14 ions/cm 2 . In the case of Tm in Si, 25 at.% and 50 at.% of Tm are located in the tetrahedral interstitial site and in the random site, respectively and the rest takes the substitutional position. The assumption of the Gaussian distribution centered at the exact tetrahedral site with a standard deviation of 0.2 Angstroms reproduced the azimuth angular-scan spectrum around the [1 1 0] axis. However, the observed angular spectrum is significantly broader than the simulated one. This is probably due to the fact that there exist slightly different Tm lattice sites from the exact tetrahedral position. For Ge(1 1 1) substrates, 25 at.% of Tm occupied the tetrahedral interstitial site and the rest was located randomly

Single-Site Tetracoordinated Aluminum Hydride Supported on Mesoporous Silica. From Dream to Reality!

KAUST Repository

Werghi, Baraa; Bendjeriou-Sedjerari, Anissa; Jedidi, Abdesslem; Abou-Hamad, Edy; Cavallo, Luigi; Basset, Jean-Marie

2016-01-01

The reaction of mesoporous silica (SBA15) dehydroxylated at 700 °C with diisobutylaluminum hydride, i-Bu2AlH, gives after thermal treatment a single-site tetrahedral aluminum hydride with high selectivity. The starting aluminum isobutyl and the final aluminum hydride have been fully characterized by FT-IR, advanced SS NMR spectroscopy (1H, 13C, multiple quanta (MQ) 2D 1H-1H, and 27Al), and elemental analysis, while DFT calculations provide a rationalization of the occurring reactivity. Trimeric i-Bu2AlH reacts selectively with surface silanols without affecting the siloxane bridges. Its analogous hydride catalyzes ethylene polymerization. Indeed, catalytic tests show that this single aluminum hydride site is active in the production of a high-density polyethylene (HDPE). © 2016 American Chemical Society.

Single-Site Tetracoordinated Aluminum Hydride Supported on Mesoporous Silica. From Dream to Reality!

KAUST Repository

Werghi, Baraa

2016-09-26

The reaction of mesoporous silica (SBA15) dehydroxylated at 700 °C with diisobutylaluminum hydride, i-Bu2AlH, gives after thermal treatment a single-site tetrahedral aluminum hydride with high selectivity. The starting aluminum isobutyl and the final aluminum hydride have been fully characterized by FT-IR, advanced SS NMR spectroscopy (1H, 13C, multiple quanta (MQ) 2D 1H-1H, and 27Al), and elemental analysis, while DFT calculations provide a rationalization of the occurring reactivity. Trimeric i-Bu2AlH reacts selectively with surface silanols without affecting the siloxane bridges. Its analogous hydride catalyzes ethylene polymerization. Indeed, catalytic tests show that this single aluminum hydride site is active in the production of a high-density polyethylene (HDPE). © 2016 American Chemical Society.

Influence of n$^{+}$ and p$^{+}$ doping on the lattice sites of implanted Fe in Si

CERN Document Server

Silva, Daniel José; Correia, João Guilherme; Araújo, João Pedro

2013-01-01

We report on the lattice location of implanted $^{59}$Fe in n$^{+}$ and p$^{+}$ type Si by means of emission channeling. We found clear evidence that the preferred lattice location of Fe changes with the doping of the material. While in n$^{+}$ type Si Fe prefers displaced bond-centered (BC) sites for annealing temperatures up to 600°C, changing to ideal substitutional sites above 700°C, in p$^{+}$ type Si, Fe prefers to be in displaced tetrahedral interstitial positions after all annealing steps. The dominant lattice sites of Fe in n$^{+}$ type Si therefore seem to be well characterized for all annealing temperatures by the incorporation of Fe into vacancy-related complexes, either into single vacancies which leads to Fe on ideal substitutional sites, or multiple vacancies, which leads to its incorporation near BC sites. In contrast, in p$^{+}$ type Si, the major fraction of Fe is clearly interstitial (near-T or ideal T) for all annealing temperatures. The formation and possible lattice sites of Fe in FeB...

Tetrahedral silsesquioxane-C2H2Ti complex for hydrogen storage

Science.gov (United States)

Konda, Ravinder; Tavhare, Priyanka; Ingale, Nilesh; Chaudhari, Ajay

2018-04-01

The interaction of molecular hydrogen with tetrahedral silsesquioxane (T4)-C2H2Ti complex has been studied using Density Functional Theory with M06-2X functional and MP2 method with 6-311++G** basis set. T4-C2H2Ti complex can absorb maximum five hydrogen molecules with the gravimetric hydrogen storage capacity of 3.4 wt %. Adsorption energy calculations show that H2 adsorption on T4-C2H2Ti complex is favorable at room temperature by both the methods. We have studied the effect of temperature and pressure on Gibbs free energy corrected adsorption energies. Molecular dynamics simulations for H2 adsorbed T4-C2H2Ti complex have also been performed at 300K and show that loosely bonded H2 molecule flies away within 1fs. Various interaction energies within the complex are studied. Stability of a complex is predicted by means of a gap between Highest Occupied Molecular Orbital (HUMO) and Lowest Unoccupied Molecular Orbital (LUMO). The H2 desorption temperature for T4-C2H2Ti complex is calculated with Van't Hoff equation and it is found to be 229K.

Using Pure Cultures to Define the Site Preference of Nitrous Oxide Produced by Microbial Nitrification and Denitrification

Science.gov (United States)

Sutka, R. L.; Breznak, J. A.; Ostrom, N. E.; Ostrom, P. H.; Gandhi, H.

2004-12-01

Defining the site preference of nitrous oxide (N2O) produced in pure culture studies is crucial to interpreting field data. We have previously demonstrated that the intramolecular distribution of nitrogen isotopes (isotopomers) can be used to differentiate N2O produced by nitrifier denitrification and nitrification in cultures of Nitrosomonas europaea. Here, we have expanded on our initial results and evaluated the isotopomeric composition of N2O produced during nitrification and nitrifier denitrification with cultures of Nitrosospira multiformis. In addition, we have analyzed N2O produced during methanotrophic nitrification, denitrification, and fungal denitrification. To evaluate N2O production during nitrification and nitrifier denitrification, we compared the site preference of N2O formed as a result of nitrite reduction and hydroxylamine oxidation with Nitrosomonas europaea and Nitrosospira multiformis. The average site preference of N2O produced by hydroxylamine oxidation was similar for Nitrosomonas europaea (33.0 ± 3.5 ‰ ) and Nitrosospira multiformis (33.1 ± 4.2 ‰ ). Nitrous oxide produced by nitrifier-denitrification by Nitrosomonas europaea and Nitrosospira multiformis had a similar site preference of - 1.4 ± 4.4 ‰ and - 1.1 ± 2.6 ‰ respectively. The results indicate that it is possible to differentiate between N2O produced by nitrite reduction and hydroxylamine oxidation by ammonia oxidizing bacteria. Methanotrophic nitrification was evaluated by analyzing the N2O produced during hydroxylamine oxidation in concentrated cell suspensions of two methane oxidizing bacteria. The site preference of N2O produced by the two methane oxidizers, Methylococcus capsulatus Bath and Methylosinus trichosporium was 31.8 ± 4.7 ‰ and 33.0 ± 4.5 ‰ respectively. The results indicate that a site preference of 33 ‰ is applicable for nitrification regardless of whether a methane oxidizer or ammonia oxidizer is involved in the reaction. To determine the site

The Space-Time Conservative Schemes for Large-Scale, Time-Accurate Flow Simulations with Tetrahedral Meshes

Science.gov (United States)

Venkatachari, Balaji Shankar; Streett, Craig L.; Chang, Chau-Lyan; Friedlander, David J.; Wang, Xiao-Yen; Chang, Sin-Chung

2016-01-01

Despite decades of development of unstructured mesh methods, high-fidelity time-accurate simulations are still predominantly carried out on structured, or unstructured hexahedral meshes by using high-order finite-difference, weighted essentially non-oscillatory (WENO), or hybrid schemes formed by their combinations. In this work, the space-time conservation element solution element (CESE) method is used to simulate several flow problems including supersonic jet/shock interaction and its impact on launch vehicle acoustics, and direct numerical simulations of turbulent flows using tetrahedral meshes. This paper provides a status report for the continuing development of the space-time conservation element solution element (CESE) numerical and software framework under the Revolutionary Computational Aerosciences (RCA) project. Solution accuracy and large-scale parallel performance of the numerical framework is assessed with the goal of providing a viable paradigm for future high-fidelity flow physics simulations.

Split-Cell Exponential Characteristic Transport Method for Unstructured Tetrahedral Meshes

International Nuclear Information System (INIS)

Brennan, Charles R.; Miller, Rodney L.; Mathews, Kirk A.

2001-01-01

The nonlinear, exponential characteristic (EC) method is extended to unstructured meshes of tetrahedral cells in three-dimensional Cartesian coordinates. The split-cell approach developed for the linear characteristic (LC) method on such meshes is used. Exponential distributions of the source within a cell and of the inflow flux on upstream faces of the cell are assumed. The coefficients of these distributions are determined by nonlinear root solving so as to match the zeroth and first moments of the source or entering flux. Good conditioning is achieved by casting the formulas for the moments of the source, inflow flux, and solution flux as sums of positive functions and by using accurate and robust algorithms for evaluation of those functions. Various test problems are used to compare the performance of the EC and LC methods. The EC method is somewhat less accurate than the LC method in regions of net out leakage but is strictly positive and retains good accuracy with optically thick cells, as in shielding problems, unlike the LC method. The computational cost per cell is greater for the EC method, but the use of substantially coarser meshes can make the EC method less expensive in total cost. The EC method, unlike the LC method, may fail if negative cross sections or angular quadrature weights are used. It is concluded that the EC and LC methods should be practical, reliable, and complimentary schemes for these meshes

TU-AB-202-05: GPU-Based 4D Deformable Image Registration Using Adaptive Tetrahedral Mesh Modeling

International Nuclear Information System (INIS)

Zhong, Z; Zhuang, L; Gu, X; Wang, J; Chen, H; Zhen, X

2016-01-01

Purpose: Deformable image registration (DIR) has been employed today as an automated and effective segmentation method to transfer tumor or organ contours from the planning image to daily images, instead of manual segmentation. However, the computational time and accuracy of current DIR approaches are still insufficient for online adaptive radiation therapy (ART), which requires real-time and high-quality image segmentation, especially in a large datasets of 4D-CT images. The objective of this work is to propose a new DIR algorithm, with fast computational speed and high accuracy, by using adaptive feature-based tetrahedral meshing and GPU-based parallelization. Methods: The first step is to generate the adaptive tetrahedral mesh based on the image features of a reference phase of 4D-CT, so that the deformation can be well captured and accurately diffused from the mesh vertices to voxels of the image volume. Subsequently, the deformation vector fields (DVF) and other phases of 4D-CT can be obtained by matching each phase of the target 4D-CT images with the corresponding deformed reference phase. The proposed 4D DIR method is implemented on GPU, resulting in significantly increasing the computational efficiency due to its parallel computing ability. Results: A 4D NCAT digital phantom was used to test the efficiency and accuracy of our method. Both the image and DVF results show that the fine structures and shapes of lung are well preserved, and the tumor position is well captured, i.e., 3D distance error is 1.14 mm. Compared to the previous voxel-based CPU implementation of DIR, such as demons, the proposed method is about 160x faster for registering a 10-phase 4D-CT with a phase dimension of 256×256×150. Conclusion: The proposed 4D DIR method uses feature-based mesh and GPU-based parallelism, which demonstrates the capability to compute both high-quality image and motion results, with significant improvement on the computational speed.

TU-AB-202-05: GPU-Based 4D Deformable Image Registration Using Adaptive Tetrahedral Mesh Modeling

Energy Technology Data Exchange (ETDEWEB)

Zhong, Z; Zhuang, L [Wayne State University, Detroit, MI (United States); Gu, X; Wang, J [UT Southwestern Medical Center, Dallas, TX (United States); Chen, H; Zhen, X [Southern Medical University, Guangzhou, Guangdong (China)

2016-06-15

Purpose: Deformable image registration (DIR) has been employed today as an automated and effective segmentation method to transfer tumor or organ contours from the planning image to daily images, instead of manual segmentation. However, the computational time and accuracy of current DIR approaches are still insufficient for online adaptive radiation therapy (ART), which requires real-time and high-quality image segmentation, especially in a large datasets of 4D-CT images. The objective of this work is to propose a new DIR algorithm, with fast computational speed and high accuracy, by using adaptive feature-based tetrahedral meshing and GPU-based parallelization. Methods: The first step is to generate the adaptive tetrahedral mesh based on the image features of a reference phase of 4D-CT, so that the deformation can be well captured and accurately diffused from the mesh vertices to voxels of the image volume. Subsequently, the deformation vector fields (DVF) and other phases of 4D-CT can be obtained by matching each phase of the target 4D-CT images with the corresponding deformed reference phase. The proposed 4D DIR method is implemented on GPU, resulting in significantly increasing the computational efficiency due to its parallel computing ability. Results: A 4D NCAT digital phantom was used to test the efficiency and accuracy of our method. Both the image and DVF results show that the fine structures and shapes of lung are well preserved, and the tumor position is well captured, i.e., 3D distance error is 1.14 mm. Compared to the previous voxel-based CPU implementation of DIR, such as demons, the proposed method is about 160x faster for registering a 10-phase 4D-CT with a phase dimension of 256×256×150. Conclusion: The proposed 4D DIR method uses feature-based mesh and GPU-based parallelism, which demonstrates the capability to compute both high-quality image and motion results, with significant improvement on the computational speed.

Site occupancy and magnetic study of Al{sup 3+} and Cr{sup 3+} co-substituted Y{sub 3}Fe{sub 5}O{sub 12}

Energy Technology Data Exchange (ETDEWEB)

Bouziane, K. [Department of Physics, College of Science, Sultan Qaboos University, P.O. Box 36, PC 123, Muscat, Sultanate of Oman (Oman)], E-mail: bouzi@squ.edu.om; Yousif, A.; Widatallah, H.M. [Department of Physics, College of Science, Sultan Qaboos University, P.O. Box 36, PC 123, Muscat, Sultanate of Oman (Oman); Amighian, J. [Department of Physics, University of Isfahan, Isfahan (Iran, Islamic Republic of)

2008-10-15

Single-phased polycrystalline Y{sub 3}Fe{sub 5-2x}Al{sub x}Cr{sub x}O{sub 12} garnet samples (x=0, 0.2, 0.4 and 0.6) have been prepared by the conventional ceramic technique. Rietveld refinement of X-ray diffraction patterns of the samples shows them to crystallize in the Ia3d space group and the corresponding lattice constant to decrease with increasing Al{sup 3+} and Cr{sup 3+} contents (x). Moessbauer results indicate that Cr{sup 3+} substitutes for Fe{sup 3+} at the octahedral sites whilst Al{sup 3+} essentially replaces Fe{sup 3+} at the tetrahedral sites. This result indicates that co-doping of Y{sub 3}Fe{sub 5}O{sub 12} does not affect the preferential site occupancy for separate individual substitution of either Cr{sup 3+} or Al{sup 3+}. The magnetization measurements reveal that the Curie temperature (T{sub c}) monotonically decreases with increasing x while the magnetic moment per unit formula decreases up to x=0.4 and then slightly increases for x=0.6. This reflects a progressive weakening of the ferrimagnetic exchange interaction between the Fe{sup 3+} ions at octahedral and tetrahedral sites due to co-substitution. The magnetic moment was calculated using the cations distribution inferred from the Moessbauer data and the collinear ferrimagnetic model, and was found to agree reasonably with the experimentally measured value. The phenomenological amplitude crossover, characterized by the temperature T*, has also been observed in the doped YIG and briefly discussed.

Mo-containing tetrahedral amorphous carbon deposited by dual filtered cathodic vacuum arc with selective pulsed bias voltage

International Nuclear Information System (INIS)

Pasaja, Nitisak; Sansongsiri, Sakon; Intarasiri, Saweat; Vilaithong, Thiraphat; Anders, Andre

2007-01-01

Metal-containing tetrahedral amorphous carbon films were produced by dual filtered cathodic vacuum arc plasma sources operated in sequentially pulsed mode. Negatively pulsed bias was applied to the substrate when carbon plasma was generated, whereas it was absent when the molybdenum plasma was presented. Film thickness was measured after deposition by profilometry. Glass slides with silver pads were used as substrates for the measurement of the sheet resistance. The microstructure and composition of the films were characterized by Raman spectroscopy and Rutherford backscattering, respectively. It was found that the electrical resistivity decreases with an increase of the Mo content, which can be ascribed to an increase of the sp 2 content and an increase of the sp 2 cluster size

First-principles study of anharmonic phonon effects in tetrahedral semiconductors via an external electric field

Energy Technology Data Exchange (ETDEWEB)

Dabiri, Zohreh, E-mail: z.dabiri@stu.yazd.ac.ir [Physics Department, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of); Kazempour, Ali [Department of Physics, Payame Noor University, P.O. BOX 119395-3697, Tehran (Iran, Islamic Republic of); Nano Structured Coatings Institute of Yazd Payame Noor University, P.O. Code 89431-74559, Yazd (Iran, Islamic Republic of); Sadeghzadeh, Mohammad Ali [Physics Department, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of)

2016-11-15

The strength of phonon anharmonicity is investigated in the framework of the Density Functional Perturbation Theory via an applied constant electric field. In contrast to routine approaches, we have employed the electric field as an effective probe to quest after the quasi-harmonic and anharmonic effects. Two typical tetrahedral semiconductors (diamond and silicon) have been selected to test the efficiency of this approach. In this scheme the applied field is responsible for establishing the perturbation and also inducing the anharmonicity in systems. The induced polarization is a result of changing the electronic density while ions are located at their ground state coordinates or at a specified strain. Employing this method, physical quantities of the semiconductors are calculated in presence of the electron–phonon interaction directly and, phonon–phonon interaction, indirectly. The present approach, which is in good agreement with previous theoretical and experimental studies, can be introduced as a benchmark to simply investigate the anharmonicity and pertinent consequences in materials.

Structural and magnetic properties of nickel antimony ferrospinels

Energy Technology Data Exchange (ETDEWEB)

Ivanov, S. A.; Tellgren, R.; Porcher, F.; Andre, G.; Ericsson, T.; Nordblad, P; Sadovskaya, N.; Kaleva, G.; Politova, E.; Baldini, M.; Sun, C.; Arvanitis, D.; Kumar, P. Anil; Mathieu, R.

2015-05-05

Spinel-type compounds of Fe–Ni–Sb–O system were synthesized as polycrystalline powders. The crystal and magnetic properties were investigated using X-ray and neutron powder diffraction, Mössbauer and X-ray absorption spectroscopy and magnetization measurements. The samples crystallize in the cubic system, space group Fd – 3 m. The distribution of cations between octahedral and tetrahedral sites was refined from the diffraction data sets using constraints imposed by the magnetic, Mössbauer and EDS results and the ionic radii. The cation distribution and the temperature dependence of the lattice parameter (a) and the oxygen positional parameter (u) were obtained. A chemical formula close to Fe0.8Ni1.8Sb0.4O4 was determined, with Sb5+ cations occupying octahedral sites, and Fe3+ and Ni2+ occupying both tetrahedral and octahedral sites. Fe3+ mainly (85/15 ratio) occupy tetrahedral sites, and conversely Ni2+ mainly reside on octahedral ones. The magnetic unit cell is the same as the crystallographic one, having identical symmetry relations. The results indicate that the compounds have a collinear ferrimagnetic structure with antiferromagnetic coupling between the tetrahedral (A) and octahedral (B) sites. Uniquely, the temperature dependence of the net magnetization of this rare earth free ferrimagnet exhibits a compensation point.

Challenges in defining a radiologic and hydrologic source term for underground nuclear test centers, Nevada Test Site, Nye County, Nevada

International Nuclear Information System (INIS)

Smith, D.K.

1995-06-01

The compilation of a radionuclide inventory for long-lived radioactive contaminants residual from nuclear testing provides a partial measure of the radiologic source term at the Nevada Test Site. The radiologic source term also includes potentially mobile short-lived radionuclides excluded from the inventory. The radiologic source term for tritium is known with accuracy and is equivalent to the hydrologic source term within the saturated zone. Definition of the total hydrologic source term for fission and activation products that have high activities for decades following underground testing involves knowledge and assumptions which are presently unavailable. Systematic investigation of the behavior of fission products, activation products and actinides under saturated or Partially saturated conditions is imperative to define a representative total hydrologic source term. This is particularly important given the heterogeneous distribution of radionuclides within testing centers. Data quality objectives which emphasize a combination of measurements and credible estimates of the hydrologic source term are a priority for near-field investigations at the Nevada Test Site

Structuring a cost-effective site characterization

International Nuclear Information System (INIS)

Berven, B.A.; Little, C.A.; Swaja, R.E.

1990-01-01

Successful chemical and radiological site characterizations are complex activities which require meticulously detailed planning. Each layer of investigation is based upon previously generated information about the site. Baseline historical, physical, geological, and regulatory information is prerequisite for preliminary studies at a site. Preliminary studies then provide samples and measurements which define the identity of potential contaminants and define boundaries around the area to be investigated. The goal of a full site characterization is to accurately determine the extent and magnitude of contaminants and carefully define the site conditions such that the future movements of site contaminants can be assessed for potential exposure to human occupants and/or environmental impacts. Critical to this process is the selection of appropriate measurement and sampling methodology, selection and use of appropriate instrumentation and management/interpretation of site information. Site investigations require optimization between the need of information to maximize the understanding of site conditions and the cost of acquiring that information. 5 refs., 1 tab

Structural and magnetic properties of nickel antimony ferrospinels

Energy Technology Data Exchange (ETDEWEB)

Ivanov, S.A. [Center of Materials Science, Karpov’ Institute of Physical Chemistry, Moscow, 105064 (Russian Federation); Department of Engineering Sciences, Uppsala University, Box 534, 751 21 Uppsala (Sweden); Tellgren, R. [Department of Chemistry, Uppsala University, Box 538, 751 21 Uppsala (Sweden); Porcher, F.; André, G. [Laboratoire Leon Brillouin, Saclay (France); Ericsson, T. [Department of Chemistry, Uppsala University, Box 538, 751 21 Uppsala (Sweden); Nordblad, P. [Department of Engineering Sciences, Uppsala University, Box 534, 751 21 Uppsala (Sweden); Sadovskaya, N.; Kaleva, G.; Politova, E. [Center of Materials Science, Karpov’ Institute of Physical Chemistry, Moscow, 105064 (Russian Federation); Baldini, M. [HPSynC, Carnegie Institution of Washington, Argonne, IL 60439 (United States); Sun, C. [X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States); Arvanitis, D. [Department of Physics and Astronomy, Uppsala University, Box 516, 751 20 Uppsala (Sweden); Anil Kumar, P. [Department of Engineering Sciences, Uppsala University, Box 534, 751 21 Uppsala (Sweden); Mathieu, R., E-mail: roland.mathieu@angstrom.uu.se [Department of Engineering Sciences, Uppsala University, Box 534, 751 21 Uppsala (Sweden)

2015-05-05

Spinel-type compounds of Fe–Ni–Sb–O system were synthesized as polycrystalline powders. The crystal and magnetic properties were investigated using X-ray and neutron powder diffraction, Mössbauer and X-ray absorption spectroscopy and magnetization measurements. The samples crystallize in the cubic system, space group Fd – 3 m. The distribution of cations between octahedral and tetrahedral sites was refined from the diffraction data sets using constraints imposed by the magnetic, Mössbauer and EDS results and the ionic radii. The cation distribution and the temperature dependence of the lattice parameter (a) and the oxygen positional parameter (u) were obtained. A chemical formula close to Fe{sub 0.8}Ni{sub 1.8}Sb{sub 0.4}O{sub 4} was determined, with Sb{sup 5+} cations occupying octahedral sites, and Fe{sup 3+} and Ni{sup 2+} occupying both tetrahedral and octahedral sites. Fe{sup 3+} mainly (85/15 ratio) occupy tetrahedral sites, and conversely Ni{sup 2+} mainly reside on octahedral ones. The magnetic unit cell is the same as the crystallographic one, having identical symmetry relations. The results indicate that the compounds have a collinear ferrimagnetic structure with antiferromagnetic coupling between the tetrahedral (A) and octahedral (B) sites. Uniquely, the temperature dependence of the net magnetization of this rare earth free ferrimagnet exhibits a compensation point. - Highlights: • Polycrystalline spinel-type compounds of (Fe,Ni)[Fe,Ni,Sb]2O4 were synthesized. • Fe (3+) and Ni (2+) cations occupy mainly tetrahedral (resp. octahedral) sites. • The ferrimagnetic behavior observed below 650 K is investigated in detail. • Squid magnetometry and neutron powder diffraction data are compared.

Structural and magnetic properties of nickel antimony ferrospinels

International Nuclear Information System (INIS)

Ivanov, S.A.; Tellgren, R.; Porcher, F.; André, G.; Ericsson, T.; Nordblad, P.; Sadovskaya, N.; Kaleva, G.; Politova, E.; Baldini, M.; Sun, C.; Arvanitis, D.; Anil Kumar, P.; Mathieu, R.

2015-01-01

Spinel-type compounds of Fe–Ni–Sb–O system were synthesized as polycrystalline powders. The crystal and magnetic properties were investigated using X-ray and neutron powder diffraction, Mössbauer and X-ray absorption spectroscopy and magnetization measurements. The samples crystallize in the cubic system, space group Fd – 3 m. The distribution of cations between octahedral and tetrahedral sites was refined from the diffraction data sets using constraints imposed by the magnetic, Mössbauer and EDS results and the ionic radii. The cation distribution and the temperature dependence of the lattice parameter (a) and the oxygen positional parameter (u) were obtained. A chemical formula close to Fe 0.8 Ni 1.8 Sb 0.4 O 4 was determined, with Sb 5+ cations occupying octahedral sites, and Fe 3+ and Ni 2+ occupying both tetrahedral and octahedral sites. Fe 3+ mainly (85/15 ratio) occupy tetrahedral sites, and conversely Ni 2+ mainly reside on octahedral ones. The magnetic unit cell is the same as the crystallographic one, having identical symmetry relations. The results indicate that the compounds have a collinear ferrimagnetic structure with antiferromagnetic coupling between the tetrahedral (A) and octahedral (B) sites. Uniquely, the temperature dependence of the net magnetization of this rare earth free ferrimagnet exhibits a compensation point. - Highlights: • Polycrystalline spinel-type compounds of (Fe,Ni)[Fe,Ni,Sb]2O4 were synthesized. • Fe (3+) and Ni (2+) cations occupy mainly tetrahedral (resp. octahedral) sites. • The ferrimagnetic behavior observed below 650 K is investigated in detail. • Squid magnetometry and neutron powder diffraction data are compared

Intralayer Cation Ordering in a Brownmillerite Superstructure: Synthesis, Crystal, and Magnetic Structures of Ca2FeCoO5

International Nuclear Information System (INIS)

Ramezanipour, Farshid; Greedan, John E.; Grosvenor, Andrew; Britten, James; Cranswick, Lachlan M.D.

2010-01-01

The synthesis, crystal, and magnetic structures and the bulk magnetic properties of Ca2FeCoO5, a brownmillerite type oxide, are presented. The crystal structure, solved and refined from single crystal X-ray and powder neutron diffraction data, is described in Pbcm with cell parameters, a = 5.3652(3), b = 11.0995(5), c = 14.7982(7) . Thus, one axis, b in this setting, is doubled in comparison with the standard brownmillerite structure description giving rise to two sets of octahedral and tetrahedral sites. Aided by the strong scattering contrast between Fe and Co for neutrons, a nearly perfect intralayer cation site ordering, not observed for any brownmillerite before, is detected in the tetrahedral layers. There is a lesser degree of cation site ordering in the octahedral sites. Overall, the Fe/Co site ordering is of the NaCl type both within and between the tetrahedral and octahedral layers. There are also both intra- and interlayer ordering of tetrahedral chain orientations. The left- and right-handed orientations alternate within each tetrahedral layer as well as between the closest tetrahedral layers. The occurrence of the rare Pbcm space group in Ca2FeCoO5 is not consistent with a recently proposed structure-field map for brownmillerite oxides. The magnetic structure is G-type antiferromagnetic, with preferred orientation of magnetic moments parallel to the longest axis between 3.8 K to 100 K which switches to the shortest axis between 225 K and 550 K. The neutron diffraction data indicate different site specific ordering temperatures at about 450(5) K and 555(5) K. The refined ordered moments at 3.8 K are somewhat smaller than expected for Fe3+ and Co3+(high spin) but are similar to those found in Sr2FeCoO5. There is evidence for spin canting from isothermal magnetization data that shows well pronounced hystereses and remnant magnetizations at 5 K and 200 K.

Cu and Al co-substituted cobalt ferrite: structural analysis ...

Indian Academy of Sciences (India)

... 400 cm−1 (v2). They are attributed to the tetrahedral and octahedral group complexes of the spinel .... Intensity (a.u.). 2 (degree) ... Heating iron-hydroxides in air is known to yield haematite ... M–O distance in tetrahedral and octahedral sites.

COMPUTATIONAL EFFICIENCY OF A MODIFIED SCATTERING KERNEL FOR FULL-COUPLED PHOTON-ELECTRON TRANSPORT PARALLEL COMPUTING WITH UNSTRUCTURED TETRAHEDRAL MESHES

Directory of Open Access Journals (Sweden)

JONG WOON KIM

2014-04-01

In this paper, we introduce a modified scattering kernel approach to avoid the unnecessarily repeated calculations involved with the scattering source calculation, and used it with parallel computing to effectively reduce the computation time. Its computational efficiency was tested for three-dimensional full-coupled photon-electron transport problems using our computer program which solves the multi-group discrete ordinates transport equation by using the discontinuous finite element method with unstructured tetrahedral meshes for complicated geometrical problems. The numerical tests show that we can improve speed up to 17∼42 times for the elapsed time per iteration using the modified scattering kernel, not only in the single CPU calculation but also in the parallel computing with several CPUs.

Simulations of hydrogen sorption in rht-MOF-1: identifying the binding sites through explicit polarization and quantum rotation calculations

KAUST Repository

Pham, Tony

2014-01-01

Grand canonical Monte Carlo (GCMC) simulations of hydrogen sorption were performed in rht-MOF-1, a metal-organic framework (MOF) that consists of isophthalate groups joined by copper paddlewheel clusters and Cu3O trimers through tetrazolate moeities. This is a charged rht-MOF that contains extra-framework nitrate counterions within the material. For the simulations performed herein, excellent agreement with experiment was achieved for the simulated hydrogen sorption isotherms and calculated isosteric heat of adsorption, Qst, values only when using a polarizable potential. Thermodynamic agreement is demonstrated via comparing to experimental isotherms and binding sites are revealed by combining simulation and inelastic neutron scattering (INS) data. Simulations involving explicit many-body polarization interactions assisted in the determination of the binding sites in rht-MOF-1 through the distribution of the induced dipoles that led to strong adsorbate interactions. Four distinct hydrogen sorption sites were determined from the polarization distribution: the nitrate ions located in the corners of the truncated tetrahedral cages, the Cu2+ ions of the paddlewheels that project into the truncated tetrahedral and truncated octahedral cages (Cu1 ions), the Cu2+ ions of the Cu3O trimers (Cu3 ions), and the sides of the paddlewheels in the cuboctahedral cage. The simulations revealed that the initial sorption sites for hydrogen in rht-MOF-1 are the nitrate ions; this site corresponds to the high initial Qst value for hydrogen (9.5 kJ mol-1) in the MOF. The radial distribution functions, g(r), about the Cu2+ ions at various loadings revealed that the Cu1 ions are the preferred open-metal sorption sites for hydrogen at low loading, while the Cu3 ions become occupied at higher loadings. The validation of the aforementioned sorption sites in rht-MOF-1 was confirmed by calculating the two-dimensional quantum rotational levels about each site and comparing the levels to the

Coordination Environment of Copper Sites in Cu-CHA Zeolite Investigated by Electron Paramagnetic Resonance

DEFF Research Database (Denmark)

Godiksen, Anita; Stappen, Frederick N.; Vennestrøm, Peter N. R.

2014-01-01

Cu-CHA combines high activity for the selective catalytic reduction (SCR) reaction with better hydrothermal stability and selectivity compared to other copper-substituted zeolites. At the same time Cu-CHA offers an opportunity for unraveling the coordination environment of the copper centers since...... the zeolite framework is very simple with only one crystallographically independent tetrahedral site (T-site). In this study the results of an X-band electron paramagnetic resonance (EPR) investigation of ion-exchanged Cu-CHA zeolite with a Si/Al ratio of 14 ± 1 is presented. Different dehydration treatments...... of the EPR silent monomeric Cu2+ in copper-substituted zeolites is suggested to be copper species with an approximate trigonal coordination sphere appearing during the dehydration. After complete dehydration at 250 °C the majority of the EPR silent Cu2+ is suggested to exist as Cu2+–OH– coordinated to two...

Networks of high mutual information define the structural proximity of catalytic sites: implications for catalytic residue identification.

Directory of Open Access Journals (Sweden)

Cristina Marino Buslje

Full Text Available Identification of catalytic residues (CR is essential for the characterization of enzyme function. CR are, in general, conserved and located in the functional site of a protein in order to attain their function. However, many non-catalytic residues are highly conserved and not all CR are conserved throughout a given protein family making identification of CR a challenging task. Here, we put forward the hypothesis that CR carry a particular signature defined by networks of close proximity residues with high mutual information (MI, and that this signature can be applied to distinguish functional from other non-functional conserved residues. Using a data set of 434 Pfam families included in the catalytic site atlas (CSA database, we tested this hypothesis and demonstrated that MI can complement amino acid conservation scores to detect CR. The Kullback-Leibler (KL conservation measurement was shown to significantly outperform both the Shannon entropy and maximal frequency measurements. Residues in the proximity of catalytic sites were shown to be rich in shared MI. A structural proximity MI average score (termed pMI was demonstrated to be a strong predictor for CR, thus confirming the proposed hypothesis. A structural proximity conservation average score (termed pC was also calculated and demonstrated to carry distinct information from pMI. A catalytic likeliness score (Cls, combining the KL, pC and pMI measures, was shown to lead to significantly improved prediction accuracy. At a specificity of 0.90, the Cls method was found to have a sensitivity of 0.816. In summary, we demonstrate that networks of residues with high MI provide a distinct signature on CR and propose that such a signature should be present in other classes of functional residues where the requirement to maintain a particular function places limitations on the diversification of the structural environment along the course of evolution.

Networks of high mutual information define the structural proximity of catalytic sites: implications for catalytic residue identification.

Science.gov (United States)

Marino Buslje, Cristina; Teppa, Elin; Di Doménico, Tomas; Delfino, José María; Nielsen, Morten

2010-11-04

Identification of catalytic residues (CR) is essential for the characterization of enzyme function. CR are, in general, conserved and located in the functional site of a protein in order to attain their function. However, many non-catalytic residues are highly conserved and not all CR are conserved throughout a given protein family making identification of CR a challenging task. Here, we put forward the hypothesis that CR carry a particular signature defined by networks of close proximity residues with high mutual information (MI), and that this signature can be applied to distinguish functional from other non-functional conserved residues. Using a data set of 434 Pfam families included in the catalytic site atlas (CSA) database, we tested this hypothesis and demonstrated that MI can complement amino acid conservation scores to detect CR. The Kullback-Leibler (KL) conservation measurement was shown to significantly outperform both the Shannon entropy and maximal frequency measurements. Residues in the proximity of catalytic sites were shown to be rich in shared MI. A structural proximity MI average score (termed pMI) was demonstrated to be a strong predictor for CR, thus confirming the proposed hypothesis. A structural proximity conservation average score (termed pC) was also calculated and demonstrated to carry distinct information from pMI. A catalytic likeliness score (Cls), combining the KL, pC and pMI measures, was shown to lead to significantly improved prediction accuracy. At a specificity of 0.90, the Cls method was found to have a sensitivity of 0.816. In summary, we demonstrate that networks of residues with high MI provide a distinct signature on CR and propose that such a signature should be present in other classes of functional residues where the requirement to maintain a particular function places limitations on the diversification of the structural environment along the course of evolution.

Tetrahedral node for Transmission-Line Modeling (TLM) applied to Bio-heat Transfer.

Science.gov (United States)

Milan, Hugo F M; Gebremedhin, Kifle G

2016-12-01

Transmission-Line Modeling (TLM) is a numerical method used to solve complex and time-domain bio-heat transfer problems. In TLM, parallelepipeds are used to discretize three-dimensional problems. The drawback in using parallelepiped shapes is that instead of refining only the domain of interest, a large additional domain would also have to be refined, which results in increased computational time and memory space. In this paper, we developed a tetrahedral node for TLM applied to bio-heat transfer that does not have the drawback associated with the parallelepiped node. The model includes heat source, blood perfusion, boundary conditions and initial conditions. The boundary conditions could be adiabatic, temperature, heat flux, or convection. The predicted temperature and heat flux were compared against results from an analytical solution and the results agreed within 2% for a mesh size of 69,941 nodes and a time step of 5ms. The method was further validated against published results of maximum skin-surface temperature difference in a breast with and without tumor and the results agreed within 6%. The published results were obtained from a model that used parallelepiped TLM node. An open source software, TLMBHT, was written using the theory developed herein and is available for download free-of-charge. Copyright © 2016 Elsevier Ltd. All rights reserved.

Site specific information in site selection

International Nuclear Information System (INIS)

Aeikaes, T.; Hautojaervi, A.

1998-01-01

The programme for the siting of a deep repository for final disposal of spent nuclear fuel was started already in 1983 and is carried out today by Posiva Oy which continues the work started by Teollisuuden Voima Oy. The programme aims at site selection by the end of the year 2000. The programme has progressed in successive interim stages with defined goals. After an early phase for site identification, five sites were selected in 1987 for preliminary site characterisation. Three of these were selected and judged to be best suited for the more detailed characterisation in 1992. An additional new site was included into the programme based on a separate feasibility study in the beginning of 1997. Since the year 1983 several safety assessments together with technical plans of the facility have been completed. When approaching the site selection the needs for more detailed consideration of the site specific properties in the safety assessment have been increased. The Finnish regulator STUK has published a proposal for general safety requirements for the final disposal of spent nuclear fuel in Finland. This set of requirements has been projected to be used in conjunction of the decision making by the end 2000. Based on the site evaluation all sites can provide a stable environment and there is evidence that the requirements for the longevity of the canister can be fulfilled at each site. In this manner the four candidate sites do not differ too much from each other. The main difference between the sites is in the salinity of the deep groundwater. The significance of differences in the salinity for the long-term safety cannot be defined yet. The differences may contribute to the discussion of the longevity of the bentonite buffer and also to the modelling of the groundwater flow and transport. The use of the geosphere as a transport barrier is basically culminated on the questions about sparse but fast flow routes and 'how bad channeling can be'. To answer these questions

Site observational work plan for the UMTRA Project site at Spook, Wyoming

International Nuclear Information System (INIS)

1995-05-01

The Spook, Wyoming, site observational work plan proposes site-specific activities to achieve compliance with Subpart B of 40 CFR Part 192 (1994) of the final US Environmental Protection Agency (EPA) ground water protection standards 60 FR 2854 (1995) at this Uranium Mill Tailing Remedial Action (UMTRA) Project site. This draft SOWP presents a comprehensive summary of existing site characterization data, a conceptual site model of the nature and extent of ground water contamination, exposure pathways, and potential impact to human health and the environment. Section 2.0 describes the requirements for meeting ground water standards at UMTRA Project sites. Section 3.0 defines past and current conditions, describes potential environmental and human health risks, and provides site-specific data that supports the selection of a proposed ground water compliance strategy. Section 4.0 provides the justification for selecting the proposed ground water compliance strategy based on the framework defined in the ground water programmatic environmental impact statement (PEIS)

Understanding Which Residues of the Active Site and Loop Structure of a Tyrosine Aminomutase Define Its Mutase and Lyase Activities.

Science.gov (United States)

Attanayake, Gayanthi; Walter, Tyler; Walker, Kevin D

2018-05-30

Site-directed mutations and substrate analogues were used to gain insights into the branch-point reaction of the 3,5-dihydro-5-methylidene-4 H-imidazol-4-one (MIO)-tyrosine aminomutase from Oryza sativa ( OsTAM). Exchanging the active residues of OsTAM (Y125C/N446K) for those in a phenylalanine aminomutase TcPAM altered its substrate specificity from tyrosine to phenylalanine. The aminomutase mechanism of OsTAM surprisingly changed almost exclusively to that of an ammonia lyase making cinnamic acid (>95%) over β-phenylalanine [Walter, T., et al. (2016) Biochemistry 55, 3497-3503]. We hypothesized that the missing electronics or sterics on the aryl ring of the phenylalanine substrate, compared with the sizable electron-donating hydroxyl of the natural tyrosine substrate, influenced the unexpected lyase reactivity of the OsTAM mutant. The double mutant was incubated with 16 α-phenylalanine substituent analogues of varying electronic strengths and sterics. The mutant converted each analogue principally to its acrylate with ∼50% conversion of the p-Br substrate, making only a small amount of the β-amino acid. The inner loop structure over the entrance to the active site was also mutated to assess how the lyase and mutase activities are affected. An OsTAM loop mutant, matching the loop residues of TcPAM, still chiefly made >95% of the acrylate from each substrate. A combined active site:loop mutant was most reactive but remained a lyase, making 10-fold more acrylates than other mutants did. While mutations within the active site changed the substrate specificity of OsTAM, continued exploration is needed to fully understand the interplay among the inner loop, the substrate, and the active site in defining the mutase and lyase activities.

Use of molecular modeling and site-directed mutagenesis to define the structural basis for the immune response to carbohydrate xenoantigens

Directory of Open Access Journals (Sweden)

Yew Margaret

2007-03-01

Full Text Available Abstract Background Natural antibodies directed at carbohydrates reject porcine xenografts. They are initially expressed in germline configuration and are encoded by a small number of structurally-related germline progenitors. The transplantation of genetically-modified pig organs prevents hyperacute rejection, but delayed graft rejection still occurs, partly due to humoral responses. IgVH genes encoding induced xenoantibodies are predominantly, not exclusively, derived from germline progenitors in the VH3 family. We have previously identified the immunoglobulin heavy chain genes encoding VH3 xenoantibodies in patients and primates. In this manuscript, we complete the structural analysis of induced xenoantibodies by identifying the IgVH genes encoding the small proportion of VH4 xenoantibodies and the germline progenitors encoding xenoantibody light chains. This information has been used to define the xenoantibody/carbohydrate binding site using computer-simulated modeling. Results The VH4-59 gene encodes antibodies in the VH4 family that are induced in human patients mounting active xenoantibody responses. The light chain of xenoantibodies is encoded by DPK5 and HSIGKV134. The structural information obtained by sequencing analysis was used to create computer-simulated models. Key contact sites for xenoantibody/carbohydrate interaction for VH3 family xenoantibodies include amino acids in sites 31, 33, 50, 57, 58 and the CDR3 region of the IgVH gene. Site-directed mutagenesis indicates that mutations in predicted contact sites alter binding to carbohydrate xenoantigens. Computer-simulated modeling suggests that the CDR3 region directly influences binding. Conclusion Xenoantibodies induced during early and delayed xenograft responses are predominantly encoded by genes in the VH3 family, with a small proportion encoded by VH4 germline progenitors. This restricted group can be identified by the unique canonical structure of the light chain, heavy

Oxygen trapped by rare earth tetrahedral clusters in Nd4FeOS6: Crystal structure, electronic structure, and magnetic properties

International Nuclear Information System (INIS)

Lin, Qisheng; Taufour, Valentin; Zhang, Yuemei; Wood, Max; Drtina, Thomas; Bud’ko, Sergey L.; Canfield, Paul C.; Miller, Gordon J.

2015-01-01

Single crystals of Nd 4 FeOS 6 were grown from an Fe–S eutectic solution. Single crystal X-ray diffraction analysis revealed a Nd 4 MnOSe 6 -type structure (P6 3 mc, a=9.2693(1) Å, c=6.6650(1)Å, V=495.94(1) Å 3 , Z=2), featuring parallel chains of face-sharing [FeS 6×1/2 ] 4− trigonal antiprisms and interlinked [Nd 4 OS 3 ] 4+ cubane-like clusters. Oxygen atoms were found to be trapped by Nd 4 clusters in the [Nd 4 OS 3 ] 4 + chains. Structural differences among Nd 4 MnOSe 6 -type Nd 4 FeOS 6 and the related La 3 CuSiS 7 − and Pr 8 CoGa 3 -type structures have been described. Magnetic susceptibility measurements on Nd 4 FeOS 6 suggested the dominance of antiferromagnetic interactions at low temperature, but no magnetic ordering down to 2 K was observed. Spin-polarized electronic structure calculations revealed magnetic frustration with dominant antiferromagnetic interactions. - Graphical abstract: Trapping of oxygen in Nd 4 tetrahedral clusters results in the formation of the Nd 4 MnOSe 6 -type Nd 4 FeOS 6 , in contrast to the La 3 CuSiS 7 -type oxygen-free Nd 4 FeS 7 and related Pr 8 CoGa 3 -type structures. Complex magnetic frustration inhibits magnetic ordering at low temperature. - Highlights: • Single crystals of Nd 4 FeOS 6 were grown using self-flux method. • Oxygen was found trapped by Nd 4 tetrahedral clusters. • Comparison with two closely related structural types were discussed. • Magnetic measurements revealed antiferromagnetic (AFM) interaction. • VASP calculations confirmed strong magnetic frustration in AFM model

Structural characterization of rondorfite, calcium silica chlorine mineral containing magnesium in tetrahedral position [MgO4]6-, with the aid of the vibrational spectroscopies and fluorescence.

Science.gov (United States)

Dulski, M; Bulou, A; Marzec, K M; Galuskin, E V; Wrzalik, R

2013-01-15

Raman and infrared spectra of rondorfite Ca8Mg(SiO4)4Cl2, a calcium chlorosilica mineral containing magnesium in tetrahedral position, has been studied in terms of spectra-structure relations. Raman spectra have been measured at different excited laser lines: 780 nm, 532 nm, 488 nm and 457 nm. This mineral is characterized by a single sharp intense Raman band at 863 cm(-1) assigned to the ν1 [SiO4]4- (Ag) symmetric stretching mode in the magnesiosilicate pentamer. Due to symmetry restriction the other Raman bands have a small intensity. Two Raman bands observed at 564 cm(-1) and 526 cm(-1) are associated simultaneously with ν4 [MgO4]6- and ν4 [SiO4]4- symmetric and antisymmetric modes where magnesium occurs in the tetrahedral configuration. The weak bands at 422 cm(-1) and 386 cm(-1) are associated with the ν2 bending mode of CaO6 in octahedral configuration, respectively. Moreover the infrared spectrum shows very weak bands associated with the hydroxyl group and/or water molecule. Additionally, the strong fluorescence phenomenon was observed and related to the presence of chlorine atoms, magnesium Mg2+ ions in atypical configuration or point defects. Copyright © 2012 Elsevier B.V. All rights reserved.

A Rac1--GDP trimer complex binds zinc with tetrahedral and octahedral coordination, displacing magnesium

Energy Technology Data Exchange (ETDEWEB)

Prehna, G.; Stebbins, C

2007-01-01

The Rho family of small GTPases represent well characterized signaling molecules that regulate many cellular functions such as actin cytoskeletal arrangement and the cell cycle by acting as molecular switches. A Rac1-GDP-Zn complex has been crystallized in space group P3221 and its crystal structure has been solved at 1.9 {angstrom} resolution. These trigonal crystals reveal the unexpected ability of Rac1 to coordinate Zn atoms in a tetrahedral fashion by use of its biologically relevant switch I and switch II regions. Upon coordination of zinc, the switch I region is stabilized in the GDP-bound conformation and contributes to a Rac1 trimer in the asymmetric unit. Zinc coordination causes switch II to adopt a novel conformation with a symmetry-related molecule. Additionally, zinc was found to displace magnesium from its octahedral coordination at switch I, although GDP binding remained stable. This structure represents the first reported Rac1-GDP-Zn complex, which further underscores the conformational flexibility and versatility of the small GTPase switch regions.

A Rac1-GDP Trimer Complex Binds Zinc with Tetrahedral and Octahedral Coordination, Displacing Magnesium

Energy Technology Data Exchange (ETDEWEB)

Prehna,G.; Stebbins, E.

2007-01-01

The Rho family of small GTPases represent well characterized signaling molecules that regulate many cellular functions such as actin cytoskeletal arrangement and the cell cycle by acting as molecular switches. A Rac1-GDP-Zn complex has been crystallized in space group P3{sub 2}21 and its crystal structure has been solved at 1.9 {angstrom} resolution. These trigonal crystals reveal the unexpected ability of Rac1 to coordinate Zn atoms in a tetrahedral fashion by use of its biologically relevant switch I and switch II regions. Upon coordination of zinc, the switch I region is stabilized in the GDP-bound conformation and contributes to a Rac1 trimer in the asymmetric unit. Zinc coordination causes switch II to adopt a novel conformation with a symmetry-related molecule. Additionally, zinc was found to displace magnesium from its octahedral coordination at switch I, although GDP binding remained stable. This structure represents the first reported Rac1-GDP-Zn complex, which further underscores the conformational flexibility and versatility of the small GTPase switch regions.

Nuclear power plant site evaluation using site population-meterology factor

International Nuclear Information System (INIS)

Rho, B.H.; Kang, C.H.

1982-01-01

In this paper, as a site evaluation technique, SPNF(Site Population Neteorology Factor) which is modified from SPF(Site Population Factor) of the USNRC model, is defined from site population and meteorology data in order to consider the radiological impacts to the population at large from the atmospheric dispersion of the radioactive effluents released during routine plant operation as well as accidental conditions. The SPMF model proved its propriety from the comparison of SPMF and SPF for Kori site. The relative suitability of Korean sites to the U.S. sites have been also examined using SPF. (Author)

Direct Observation of Very Large Zero-Field Splitting in a Tetrahedral Ni(II)Se4 Coordination Complex.

Science.gov (United States)

Jiang, Shang-Da; Maganas, Dimitrios; Levesanos, Nikolaos; Ferentinos, Eleftherios; Haas, Sabrina; Thirunavukkuarasu, Komalavalli; Krzystek, J; Dressel, Martin; Bogani, Lapo; Neese, Frank; Kyritsis, Panayotis

2015-10-14

The high-spin (S = 1) tetrahedral Ni(II) complex [Ni{(i)Pr2P(Se)NP(Se)(i)Pr2}2] was investigated by magnetometry, spectroscopic, and quantum chemical methods. Angle-resolved magnetometry studies revealed the orientation of the magnetization principal axes. The very large zero-field splitting (zfs), D = 45.40(2) cm(-1), E = 1.91(2) cm(-1), of the complex was accurately determined by far-infrared magnetic spectroscopy, directly observing transitions between the spin sublevels of the triplet ground state. These are the largest zfs values ever determined--directly--for a high-spin Ni(II) complex. Ab initio calculations further probed the electronic structure of the system, elucidating the factors controlling the sign and magnitude of D. The latter is dominated by spin-orbit coupling contributions of the Ni ions, whereas the corresponding effects of the Se atoms are remarkably smaller.

The site selection process

International Nuclear Information System (INIS)

Kittel, J.H.

1989-01-01

One of the most arduous tasks associated with the management of radioactive wastes is the siting of new disposal facilities. Experience has shown that the performance of the disposal facility during and after disposal operations is critically dependent on the characteristics of the site itself. The site selection process consists of defining needs and objectives, identifying geographic regions of interest, screening and selecting candidate sites, collecting data on the candidate sites, and finally selecting the preferred site. Before the site selection procedures can be implemented, however, a formal legal system must be in place that defines broad objectives and, most importantly, clearly establishes responsibilities and accompanying authorities for the decision-making steps in the procedure. Site selection authorities should make every effort to develop trust and credibility with the public, local officials, and the news media. The responsibilities of supporting agencies must also be spelled out. Finally, a stable funding arrangement must be established so that activities such as data collection can proceed without interruption. Several examples, both international and within the US, are given

Fe and Cu in Si: Lattice sites and trapping at implantation-related defects

International Nuclear Information System (INIS)

Wahl, U.; Correia, J.G.; Rita, E.; Araujo, J.P.; Soares, J.C.

2006-01-01

We have used the emission channeling technique in order to study the lattice sites of radioactive 59 Fe and 67 Cu following 60 keV ion implantation into Si single crystals at fluences around 10 12 -10 14 cm -2 . We find that in the room temperature as-implanted state in high-resistivity Si both Fe and Cu occupy mainly lattice sites displaced around 0.05 nm (0.5 A) from substitutional positions. Both are released from these positions during annealing at temperatures between 300 deg. C and 600 deg. C. Fe is then found mainly on near-tetrahedral interstitial sites and further annealing causes it to be increasingly incorporated on ideal substitutional sites, on which it is stable to around 800 deg. C. We have strong indications that during annealing around 600 deg. C, along with the dominance of interstitial Fe, a redistribution towards the surface takes place, suggesting that the subsequent formation of ideal substitutional Fe may be related to the trapping of Fe at R p /2, half of its implanted depth. Possible R p /2 trapping might also have taken place in our Cu experiments but appears to be less efficient since Cu tended to escape to the bulk of the samples

Early local differentiation of the cell wall matrix defines the contact sites in lobed mesophyll cells of Zea mays.

Science.gov (United States)

Giannoutsou, E; Sotiriou, P; Apostolakos, P; Galatis, B

2013-10-01

The morphogenesis of lobed mesophyll cells (MCs) is highly controlled and coupled with intercellular space formation. Cortical microtubule rings define the number and the position of MC isthmi. This work investigated early events of MC morphogenesis, especially the mechanism defining the position of contacts between MCs. The distributions of plasmodesmata, the hemicelluloses callose and (1 → 3,1 → 4)-β-d-glucans (MLGs) and the pectin epitopes recognized by the 2F4, JIM5, JIM7 and LM6 antibodies were studied in the cell walls of Zea mays MCs. Matrix cell wall polysaccharides were immunolocalized in hand-made sections and in sections of material embedded in LR White resin. Callose was also localized using aniline blue in hand-made sections. Plasmodesmata distribution was examined by transmission electron microscopy. Before reorganization of the dispersed cortical microtubules into microtubule rings, particular bands of the longitudinal MC walls, where the MC contacts will form, locally differentiate by selective (1) deposition of callose and the pectin epitopes recognized by the 2F4, LM6, JIM5 and JIM7 antibodies, (2) degradation of MLGs and (3) formation of secondary plasmodesmata clusterings. This cell wall matrix differentiation persists in cell contacts of mature MCs. Simultaneously, the wall bands between those of future cell contacts differentiate with (1) deposition of local cell wall thickenings including cellulose microfibrils, (2) preferential presence of MLGs, (3) absence of callose and (4) transient presence of the pectins identified by the JIM5 and JIM7 antibodies. The wall areas between cell contacts expand determinately to form the cell isthmi and the cell lobes. The morphogenesis of lobed MCs is characterized by the early patterned differentiation of two distinct cell wall subdomains, defining the sites of the future MC contacts and of the future MC isthmi respectively. This patterned cell wall differentiation precedes cortical microtubule

Ordering principles for tetrahedral chains in Ga- and Co-substituted YBCO intergrowths

International Nuclear Information System (INIS)

Milat, O.; Krekels, T.; Tendeloo, G. van; Amelinckx, S.

1993-01-01

A model for superstructure ordering in the ''chain'' layers of Ga (Co) substituted YBCO intergrowths with general formula (REO 2 ) N Sr 2 MCu 2 O 5 (M Co, Ga; n = 1, 2, ..) is proposed. By Ga or Co substitution for Cu, the structure of the ''chain'' layer changes: instead of the CuO 4 planar squares, the chains consist of MO 4 tetrahedra (M = Ga, Co) running along the [110] perovskite direction. The existing model for the Ga substituted ''123'' implies that all the chains are the same. Our new model is based on the results of Electron diffraction and High-resolution electron microscopy investigations. The model reveals the occurene of two types of chains as a consequence of ''opposite'' ordering between neighbouring tetrahedra. The corner linked tetrahedra in each chain appear as alternatingly rotated in opposite sense, and a chain itself, as being displaced with respect to the underlying structure in one of two senses; either forth (right) or back (left) along the chain direction. The regular alternation of chains of opposite type doubles the periodicity within a layer and induces the possibility for intrinsic disorder in the chain layer stacking sequence. The planar superstructure and a staggered stacking of the tetrahedral chain layers is found irrespective of the rest of the intergrowth structure. Superstructure ordering in the case of Co substitution is more perfect than for the Ga substitution. (orig.)

Well-defined single-site monohydride silica-supported zirconium from azazirconacyclopropane

KAUST Repository

Hamzaoui, Bilel

2015-01-13

The silica-supported azazirconacyclopropane ≡SiOZr(HNMe2)(η2-NMeCH2)(NMe2) (1) leads exclusively under hydrogenolysis conditions (H2, 150°C) to the single-site monopodal monohydride silica-supported zirconium species ≡SiOZr(HNMe2)(NMe2)2H (2). Reactivity studies by contacting compound 2 with ethylene, hydrogen/ethylene, propene, or hydrogen/propene, at a temperature of 200°C revealed alkene hydrogenation.

Well-defined single-site monohydride silica-supported zirconium from azazirconacyclopropane

KAUST Repository

Hamzaoui, Bilel; El Eter, Mohamad; Abou-Hamad, Edy; Chen, Yin; Pelletier, Jeremie; Basset, Jean-Marie

2015-01-01

The silica-supported azazirconacyclopropane ≡SiOZr(HNMe2)(η2-NMeCH2)(NMe2) (1) leads exclusively under hydrogenolysis conditions (H2, 150°C) to the single-site monopodal monohydride silica-supported zirconium species ≡SiOZr(HNMe2)(NMe2)2H (2). Reactivity studies by contacting compound 2 with ethylene, hydrogen/ethylene, propene, or hydrogen/propene, at a temperature of 200°C revealed alkene hydrogenation.

Defining depth of anesthesia.

Science.gov (United States)

Shafer, S L; Stanski, D R

2008-01-01

In this chapter, drawn largely from the synthesis of material that we first presented in the sixth edition of Miller's Anesthesia, Chap 31 (Stanski and Shafer 2005; used by permission of the publisher), we have defined anesthetic depth as the probability of non-response to stimulation, calibrated against the strength of the stimulus, the difficulty of suppressing the response, and the drug-induced probability of non-responsiveness at defined effect site concentrations. This definition requires measurement of multiple different stimuli and responses at well-defined drug concentrations. There is no one stimulus and response measurement that will capture depth of anesthesia in a clinically or scientifically meaningful manner. The "clinical art" of anesthesia requires calibration of these observations of stimuli and responses (verbal responses, movement, tachycardia) against the dose and concentration of anesthetic drugs used to reduce the probability of response, constantly adjusting the administered dose to achieve the desired anesthetic depth. In our definition of "depth of anesthesia" we define the need for two components to create the anesthetic state: hypnosis created with drugs such as propofol or the inhalational anesthetics and analgesia created with the opioids or nitrous oxide. We demonstrate the scientific evidence that profound degrees of hypnosis in the absence of analgesia will not prevent the hemodynamic responses to profoundly noxious stimuli. Also, profound degrees of analgesia do not guarantee unconsciousness. However, the combination of hypnosis and analgesia suppresses hemodynamic response to noxious stimuli and guarantees unconsciousness.

Parallel Education and Defining the Fourth Sector.

Science.gov (United States)

Chessell, Diana

1996-01-01

Parallel to the primary, secondary, postsecondary, and adult/community education sectors is education not associated with formal programs--learning in arts and cultural sites. The emergence of cultural and educational tourism is an opportunity for adult/community education to define itself by extending lifelong learning opportunities into parallel…

A soil sampling reference site: The challenge in defining reference material for sampling

International Nuclear Information System (INIS)

De Zorzi, Paolo; Barbizzi, Sabrina; Belli, Maria; Fajgelj, Ales; Jacimovic, Radojko; Jeran, Zvonka; Sansone, Umberto; Perk, Marcel van der

2008-01-01

In the frame of the international SOILSAMP project, funded and coordinated by the Italian Environmental Protection Agency, an agricultural area was established as a reference site suitable for performing soil sampling inter-comparison exercises. The reference site was characterized for trace element content in soil, in terms of the spatial and temporal variability of their mass fraction. Considering that the behaviour of long-lived radionuclides in soil can be expected to be similar to that of some stable trace elements and that the distribution of these trace elements in soil can simulate the distribution of radionuclides, the reference site characterised in term of trace elements, can be also used to compare the soil sampling strategies developed for radionuclide investigations

A soil sampling reference site: The challenge in defining reference material for sampling

Energy Technology Data Exchange (ETDEWEB)

De Zorzi, Paolo [Agenzia per la Protezione dell' Ambiente e per i Servizi Tecnici (APAT), Servizio Metrologia Ambientale, Via di Castel Romano, Rome 100-00128 (Italy)], E-mail: paolo.dezorzi@apat.it; Barbizzi, Sabrina; Belli, Maria [Agenzia per la Protezione dell' Ambiente e per i Servizi Tecnici (APAT), Servizio Metrologia Ambientale, Via di Castel Romano, Rome 100-00128 (Italy); Fajgelj, Ales [International Atomic Energy Agency (IAEA), Agency' s Laboratories Seibersdorf, Vienna A-1400 (Austria); Jacimovic, Radojko; Jeran, Zvonka; Sansone, Umberto [Jozef Stefan Institute, Jamova 39, Ljubljana 1000 (Slovenia); Perk, Marcel van der [Department of Physical Geography, Utrecht University, P.O. Box 80115, TC Utrecht 3508 (Netherlands)

2008-11-15

In the frame of the international SOILSAMP project, funded and coordinated by the Italian Environmental Protection Agency, an agricultural area was established as a reference site suitable for performing soil sampling inter-comparison exercises. The reference site was characterized for trace element content in soil, in terms of the spatial and temporal variability of their mass fraction. Considering that the behaviour of long-lived radionuclides in soil can be expected to be similar to that of some stable trace elements and that the distribution of these trace elements in soil can simulate the distribution of radionuclides, the reference site characterised in term of trace elements, can be also used to compare the soil sampling strategies developed for radionuclide investigations.

A soil sampling reference site: the challenge in defining reference material for sampling.

Science.gov (United States)

de Zorzi, Paolo; Barbizzi, Sabrina; Belli, Maria; Fajgelj, Ales; Jacimovic, Radojko; Jeran, Zvonka; Sansone, Umberto; van der Perk, Marcel

2008-11-01

In the frame of the international SOILSAMP project, funded and coordinated by the Italian Environmental Protection Agency, an agricultural area was established as a reference site suitable for performing soil sampling inter-comparison exercises. The reference site was characterized for trace element content in soil, in terms of the spatial and temporal variability of their mass fraction. Considering that the behaviour of long-lived radionuclides in soil can be expected to be similar to that of some stable trace elements and that the distribution of these trace elements in soil can simulate the distribution of radionuclides, the reference site characterised in term of trace elements, can be also used to compare the soil sampling strategies developed for radionuclide investigations.

Erasing no-man's land by thermodynamically stabilizing the liquid-liquid transition in tetrahedral particles.

Science.gov (United States)

Smallenburg, Frank; Filion, Laura; Sciortino, Francesco

2014-09-01

One of the most controversial hypotheses for explaining the origin of the thermodynamic anomalies characterizing liquid water postulates the presence of a metastable second-order liquid-liquid critical point [1] located in the "no-man's land" [2]. In this scenario, two liquids with distinct local structure emerge near the critical temperature. Unfortunately, since spontaneous crystallization is rapid in this region, experimental support for this hypothesis relies on significant extrapolations, either from the metastable liquid or from amorphous solid water [3, 4]. Although the liquid-liquid transition is expected to feature in many tetrahedrally coordinated liquids, including silicon [5], carbon [6] and silica, even numerical studies of atomic and molecular models have been unable to conclusively prove the existence of this transition. Here we provide such evidence for a model in which it is possible to continuously tune the softness of the interparticle interaction and the flexibility of the bonds, the key ingredients controlling the existence of the critical point. We show that conditions exist where the full coexistence is thermodynamically stable with respect to crystallization. Our work offers a basis for designing colloidal analogues of water exhibiting liquid-liquid transitions in equilibrium, opening the way for experimental confirmation of the original hypothesis.

Erasing no-man’s land by thermodynamically stabilizing the liquid-liquid transition in tetrahedral particles

Science.gov (United States)

Smallenburg, Frank; Filion, Laura; Sciortino, Francesco

2014-09-01

One of the most controversial hypotheses for explaining the origin of the thermodynamic anomalies characterizing liquid water postulates the presence of a metastable second-order liquid-liquid critical point located in the `no-man’s land’. In this scenario, two liquids with distinct local structure emerge near the critical temperature. Unfortunately, as spontaneous crystallization is rapid in this region, experimental support for this hypothesis relies on significant extrapolations, either from the metastable liquid or from amorphous solid water. Although the liquid-liquid transition is expected to feature in many tetrahedrally coordinated liquids, including silicon, carbon and silica, even numerical studies of atomic and molecular models have been unable to conclusively prove the existence of this transition. Here we provide such evidence for a model in which it is possible to continuously tune the softness of the interparticle interaction and the flexibility of the bonds, the key ingredients controlling the existence of the critical point. We show that conditions exist where the full coexistence is thermodynamically stable with respect to crystallization. Our work offers a basis for designing colloidal analogues of water exhibiting liquid-liquid transitions in equilibrium, opening the way for experimental confirmation of the original hypothesis.

Bridging the Gap between the Nanometer-Scale Bottom-Up and Micrometer-Scale Top-Down Approaches for Site-Defined InP/InAs Nanowires.

Science.gov (United States)

Zhang, Guoqiang; Rainville, Christophe; Salmon, Adrian; Takiguchi, Masato; Tateno, Kouta; Gotoh, Hideki

2015-11-24

This work presents a method that bridges the gap between the nanometer-scale bottom-up and micrometer-scale top-down approaches for site-defined nanostructures, which has long been a significant challenge for applications that require low-cost and high-throughput manufacturing processes. We realized the bridging by controlling the seed indium nanoparticle position through a self-assembly process. Site-defined InP nanowires were then grown from the indium-nanoparticle array in the vapor-liquid-solid mode through a "seed and grow" process. The nanometer-scale indium particles do not always occupy the same locations within the micrometer-scale open window of an InP exposed substrate due to the scale difference. We developed a technique for aligning the nanometer-scale indium particles on the same side of the micrometer-scale window by structuring the surface of a misoriented InP (111)B substrate. Finally, we demonstrated that the developed method can be used to grow a uniform InP/InAs axial-heterostructure nanowire array. The ability to form a heterostructure nanowire array with this method makes it possible to tune the emission wavelength over a wide range by employing the quantum confinement effect and thus expand the application of this technology to optoelectronic devices. Successfully pairing a controllable bottom-up growth technique with a top-down substrate preparation technique greatly improves the potential for the mass-production and widespread adoption of this technology.

Chemical states of piled-up phosphorus and arsenic atoms at the SiO2/Si interface

International Nuclear Information System (INIS)

Yoshimura, Yusuke; Ono, Kanta; Fujioka, Hiroshi; Hayakawa, Shinjiro; Sato, Yoshiyuki; Uematsu, Masashi; Baba, Yuji; Hirose, Kazuyuki; Oshima, Masaharu

1999-01-01

We have investigated the positions of the piled-up phosphorus atoms at the SiO 2 /Si interface using the extended X-ray absorption fine structure (EXAFS) and X-ray photoelectron spectroscopy (XPS). The EXAFS and XPS data can be well explained on the assumption that the piled-up arsenic atoms exist at the tetrahedral sites. On the contrary, phosphorus atoms exist not at the tetrahedral sites but at the denser sites. The depth profile measurements of XPS have revealed that the piled-up arsenic and phosphorus atoms exist within 20A from the interface. (author)

Technical assessment concept of geological aspect to define site NPP prospectus in Indonesia

International Nuclear Information System (INIS)

Akhmad Muktaf Haifani

2013-01-01

Geological aspects become an important aspect in determining the prospective nuclear power plant site. Geological investigation can be categorized based on the spatial scale of Regional and Local and every stage will have different levels of investigation. Understanding Regional Tectonics and Regional Geology of Indonesia is very important and helps to facilitate the evaluators to review documents. Unification of standard of site conformity assessment in terms tectonic aspect particularly geological stability becomes very necessary in the assessment of the suitability of the proposed licensed document, given the tectonic-forming process in Indonesia is highly variable. Safety criteria is key parameters that must be considered to solve any problems and a proper bridge in determining the site parameters of the proposed by applicants and compliance with any requirement of Regulatory Body. (author)

Biodegradation of Maya crude oil fractions by bacterial strains and a defined mixed culture isolated from Cyperus laxus rhizosphere soil in a contaminated site

Energy Technology Data Exchange (ETDEWEB)

Diaz-Ramirez, I. J.; Gutierrez-Rojas, M.; Favela-Torres, E. [Autonomous Metropolitan University (UAM)- Iztapalapa, Dept. of Biotechnology, Federal District (Mexico); Ramirez-Sada, H. [Autonomous Metropolitan University (UAM)-Xochimilco, Dept. of Biological Systems, Federal District (Mexico)

2003-12-01

Biodegradation of aliphatic, aromatic, and polar constituents of Maya crude oil by a set of isolated bacterial strains and a defined mixed culture made up with all isolated strains, was evaluated. The bacterial strains were obtained from the rhizosphere of Cyperus laxus, a native plant on a highly hydrocarbon-polluted site. Oxygen uptake rate was used to determine the culture transfer timing during the enrichment culture. Results showed that five of the isolated strains were able to degrade 50 per cent of the aliphatic fractions of Maya crude oil. With the defined mixed culture the level of biodegradation was 47 per cent for aliphatics and 6 per cent of the aromatic-polar mixture. When grown in the presence of total hydrocarbons, the defined mixed culture was able to degrade 40 per cent of the aliphatic fraction and 26 per cent of the aromatic fraction. By combining enrichment cultures with oxygen uptake rate to determine the culture transfer timing during the enrichment cultures allowed the isolation of bacterial strains that are able to degrade specific hydrocarbon fractions at high consumption rates. 28 refs., 4 tabs., 1 fig.

Tetrahedral cluster and pseudo molecule: New approaches to Calculate Absolute Surface Energy of Zinc Blende (111)/(-1-1-1) Surface

Science.gov (United States)

Zhang, Yiou; Zhang, Jingzhao; Tse, Kinfai; Wong, Lun; Chan, Chunkai; Deng, Bei; Zhu, Junyi

Determining accurate absolute surface energies for polar surfaces of semiconductors has been a great challenge in decades. Here, we propose pseudo-hydrogen passivation to calculate them, using density functional theory approaches. By calculating the energy contribution from pseudo-hydrogen using either a pseudo molecule method or a tetrahedral cluster method, we obtained (111)/(-1-1-1) surfaces energies of Si, GaP, GaAs, and ZnS with high self-consistency. Our findings may greatly enhance the basic understandings of different surfaces and lead to novel strategies in the crystal growth. We would like to thank Su-huai Wei for helpful discussions. Computing resources were provided by the High Performance Cluster Computing Centre, Hong Kong Baptist University. This work was supported by the start-up funding and direct Grant with the Project.

On the ground-state degeneracy and entropy in a double-tetrahedral chain formed by the localized Ising spins and mobile electrons

Science.gov (United States)

Gálisová, Lucia

2018-05-01

Ground-state properties of a hybrid double-tetrahedral chain, in which the localized Ising spins regularly alternate with triangular plaquettes occupied by a variable number of mobile electrons, are exactly investigated. We demonstrate that the zero-temperature phase diagram of the model involves several non-degenerate, two-fold degenerate and macroscopically degenerate chiral phases. Low-temperature dependencies of the entropy and specific heat are also examined in order to gain a deeper insight into the degeneracy of individual ground-state phases and phase transitions. It is shown that a diversity of the ground-state degeneracy manifests itself in multiple-peak structures of both thermodynamic quantities. A remarkable temperature dependencies of the specific heat with two and three Schottky-type maxima are discussed in detail.

Conductivity enhancement of ion tracks in tetrahedral amorphous carbon by doping with N, B, Cu and Fe

International Nuclear Information System (INIS)

Krauser, J.; Nix, A.-K.; Gehrke, H.-G.; Hofsäss, H.; Trautmann, C.; Weidinger, A.

2012-01-01

Conducting ion tracks are formed when high-energy heavy ions (e.g. 1 GeV Au) pass through tetrahedral amorphous carbon (ta-C). These nanowires with a diameter of about 8 nm are embedded in the insulating ta-C matrix and of interest for various nanotechnological applications. Usually the overall conductivity of the tracks and the current/voltage characteristics (Ohmic or non-Ohmic) vary strongly from track to track, even when measured on the same sample, indicating that the track formation is neither complete nor homogeneous. To improve the track conductivity, doping of ta-C with N, B, Cu, or Fe is investigated. Beneficial changes in track conductivity after doping compete with a conductivity increase of the surrounding matrix material. Best results are achieved by incorporation of 1 at.% Cu, while for different reasons, the improvement of the tracks remains moderate for N, B, and Fe doping. Conductivity enhancement of the tracks is assumed to develop during the ion track formation process by an increased number of localized states which contribute to the current transport.

Nanodiamonds on tetrahedral amorphous carbon significantly enhance dopamine detection and cell viability.

Science.gov (United States)

Peltola, Emilia; Wester, Niklas; Holt, Katherine B; Johansson, Leena-Sisko; Koskinen, Jari; Myllymäki, Vesa; Laurila, Tomi

2017-02-15

We hypothesize that by using integrated carbon nanostructures on tetrahedral amorphous carbon (ta-C), it is possible to take the performance and characteristics of these bioelectrodes to a completely new level. The integrated carbon electrodes were realized by combining nanodiamonds (NDs) with ta-C thin films coated on Ti-coated Si-substrates. NDs were functionalized with mixture of carboxyl and amine groups ND andante or amine ND amine , carboxyl ND vox or hydroxyl groups ND H and drop-casted or spray-coated onto substrate. By utilizing these novel structures we show that (i) the detection limit for dopamine can be improved by two orders of magnitude [from 10µM to 50nM] in comparison to ta-C thin film electrodes and (ii) the coating method significantly affects electrochemical properties of NDs and (iii) the ND coatings selectively promote cell viability. ND andante and ND H showed most promising electrochemical properties. The viability of human mesenchymal stem cells and osteoblastic SaOS-2 cells was increased on all ND surfaces, whereas the viability of mouse neural stem cells and rat neuroblastic cells was improved on ND andante and ND H and reduced on ND amine and ND vox. The viability of C6 cells remained unchanged, indicating that these surfaces will not cause excess gliosis. In summary, we demonstrated here that by using functionalized NDs on ta-C thin films we can significantly improve sensitivity towards dopamine as well as selectively promote cell viability. Thus, these novel carbon nanostructures provide an interesting concept for development of various in vivo targeted sensor solutions. Copyright © 2016 Elsevier B.V. All rights reserved.

National Ignition Facility Project Site Safety Program

International Nuclear Information System (INIS)

Dun, C

2003-01-01

This Safety Program for the National Ignition Facility (NIF) presents safety protocols and requirements that management and workers shall follow to assure a safe and healthful work environment during activities performed on the NIF Project site. The NIF Project Site Safety Program (NPSSP) requires that activities at the NIF Project site be performed in accordance with the ''LLNL ES and H Manual'' and the augmented set of controls and processes described in this NIF Project Site Safety Program. Specifically, this document: (1) Defines the fundamental NIF site safety philosophy. (2) Defines the areas covered by this safety program (see Appendix B). (3) Identifies management roles and responsibilities. (4) Defines core safety management processes. (5) Identifies NIF site-specific safety requirements. This NPSSP sets forth the responsibilities, requirements, rules, policies, and regulations for workers involved in work activities performed on the NIF Project site. Workers are required to implement measures to create a universal awareness that promotes safe practice at the work site and will achieve NIF management objectives in preventing accidents and illnesses. ES and H requirements are consistent with the ''LLNL ES and H Manual''. This NPSSP and implementing procedures (e.g., Management Walkabout, special work procedures, etc.,) are a comprehensive safety program that applies to NIF workers on the NIF Project site. The NIF Project site includes the B581/B681 site and support areas shown in Appendix B

Hanford Site Development Plan

International Nuclear Information System (INIS)

Hathaway, H.B.; Daly, K.S.; Rinne, C.A.; Seiler, S.W.

1993-05-01

The Hanford Site Development Plan (HSDP) provides an overview of land use, infrastructure, and facility requirements to support US Department of Energy (DOE) programs at the Hanford Site. The HSDP's primary purpose is to inform senior managers and interested parties of development activities and issues that require a commitment of resources to support the Hanford Site. The HSDP provides an existing and future land use plan for the Hanford Site. The HSDP is updated annually in accordance with DOE Order 4320.1B, Site Development Planning, to reflect the mission and overall site development process. Further details about Hanford Site development are defined in individual area development plans

A parallel electrostatic Particle-in-Cell method on unstructured tetrahedral grids for large-scale bounded collisionless plasma simulations

Science.gov (United States)

Averkin, Sergey N.; Gatsonis, Nikolaos A.

2018-06-01

An unstructured electrostatic Particle-In-Cell (EUPIC) method is developed on arbitrary tetrahedral grids for simulation of plasmas bounded by arbitrary geometries. The electric potential in EUPIC is obtained on cell vertices from a finite volume Multi-Point Flux Approximation of Gauss' law using the indirect dual cell with Dirichlet, Neumann and external circuit boundary conditions. The resulting matrix equation for the nodal potential is solved with a restarted generalized minimal residual method (GMRES) and an ILU(0) preconditioner algorithm, parallelized using a combination of node coloring and level scheduling approaches. The electric field on vertices is obtained using the gradient theorem applied to the indirect dual cell. The algorithms for injection, particle loading, particle motion, and particle tracking are parallelized for unstructured tetrahedral grids. The algorithms for the potential solver, electric field evaluation, loading, scatter-gather algorithms are verified using analytic solutions for test cases subject to Laplace and Poisson equations. Grid sensitivity analysis examines the L2 and L∞ norms of the relative error in potential, field, and charge density as a function of edge-averaged and volume-averaged cell size. Analysis shows second order of convergence for the potential and first order of convergence for the electric field and charge density. Temporal sensitivity analysis is performed and the momentum and energy conservation properties of the particle integrators in EUPIC are examined. The effects of cell size and timestep on heating, slowing-down and the deflection times are quantified. The heating, slowing-down and the deflection times are found to be almost linearly dependent on number of particles per cell. EUPIC simulations of current collection by cylindrical Langmuir probes in collisionless plasmas show good comparison with previous experimentally validated numerical results. These simulations were also used in a parallelization

Defining the plasticity of transcription factor binding sites by Deconstructing DNA consensus sequences: the PhoP-binding sites among gamma/enterobacteria.

Directory of Open Access Journals (Sweden)

Oscar Harari

2010-07-01

Full Text Available Transcriptional regulators recognize specific DNA sequences. Because these sequences are embedded in the background of genomic DNA, it is hard to identify the key cis-regulatory elements that determine disparate patterns of gene expression. The detection of the intra- and inter-species differences among these sequences is crucial for understanding the molecular basis of both differential gene expression and evolution. Here, we address this problem by investigating the target promoters controlled by the DNA-binding PhoP protein, which governs virulence and Mg(2+ homeostasis in several bacterial species. PhoP is particularly interesting; it is highly conserved in different gamma/enterobacteria, regulating not only ancestral genes but also governing the expression of dozens of horizontally acquired genes that differ from species to species. Our approach consists of decomposing the DNA binding site sequences for a given regulator into families of motifs (i.e., termed submotifs using a machine learning method inspired by the "Divide & Conquer" strategy. By partitioning a motif into sub-patterns, computational advantages for classification were produced, resulting in the discovery of new members of a regulon, and alleviating the problem of distinguishing functional sites in chromatin immunoprecipitation and DNA microarray genome-wide analysis. Moreover, we found that certain partitions were useful in revealing biological properties of binding site sequences, including modular gains and losses of PhoP binding sites through evolutionary turnover events, as well as conservation in distant species. The high conservation of PhoP submotifs within gamma/enterobacteria, as well as the regulatory protein that recognizes them, suggests that the major cause of divergence between related species is not due to the binding sites, as was previously suggested for other regulators. Instead, the divergence may be attributed to the fast evolution of orthologous target

Defining strategies to win in the Internet market

Science.gov (United States)

López, Luis; Sanjuán, Miguel A. F.

2001-12-01

This paper analyzes a model for the competition dynamics of web sites in the Internet, based on the Lotka-Volterra competition equations. This model shows the well known appearance of a winner-take-all characteristic and is based in the nonvalidity of traditional offer and demand equilibrium theory of these kinds of markets. From the stability analysis of the model, we establish a series of rules which are useful for defining strategies in the Internet market. One of the most important results that emerge from this simple model is the appearance of some unexpected phenomena related to the collaboration and competition between sites.

Simple shearing flow of dry soap foams with tetrahedrally close-packed structure

Energy Technology Data Exchange (ETDEWEB)

Reinelt, Douglas A. [Department of Mathematics, Southern Methodist University, Dallas, Texas 75275-0156 (United States); Kraynik, Andrew M. [Engineering Sciences Center, Sandia National Laboratories, Albuquerque, New Mexico 87185-0834 (United States)

2000-05-01

The microrheology of dry soap foams subjected to quasistatic, simple shearing flow is analyzed. Two different monodisperse foams with tetrahedrally close-packed (TCP) structure are examined: Weaire-Phelan (A15) and Friauf-Laves (C15). The elastic-plastic response is evaluated by using the Surface Evolver to calculate foam structures that minimize total surface area at each value of strain. The foam geometry and macroscopic stress are piecewise continuous functions of strain. The stress scales as T/V{sup 1/3}, where T is surface tension and V is cell volume. Each discontinuity corresponds to large changes in foam geometry and topology that restore equilibrium to unstable configurations that violate Plateau's laws. The instabilities occur when the length of an edge on a polyhedral foam cell vanishes. The length can tend to zero smoothly or abruptly with strain. The abrupt case occurs when a small increase in strain changes the energy profile in the neighborhood of a foam structure from a local minimum to a saddle point, which can lead to symmetry-breaking bifurcations. In general, the new structure associated with each stable solution branch results from an avalanche of local topology changes called T1 transitions. Each T1 cascade produces different cell neighbors, reduces surface energy, and provides an irreversible, film-level mechanism for plastic yield behavior. Stress-strain curves and average stresses are evaluated by examining foam orientations that admit strain-periodic behavior. For some orientations, the deformation cycle includes Kelvin cells instead of the original TCP structure; but the foam does not remain perfectly ordered. Bifurcations during subsequent T1 cascades lead to disorder and can even cause strain localization. (c) 2000 Society of Rheology.

Definably compact groups definable in real closed fields. I

OpenAIRE

Barriga, Eliana

2017-01-01

We study definably compact definably connected groups definable in a sufficiently saturated real closed field $R$. We introduce the notion of group-generic point for $\\bigvee$-definable groups and show the existence of group-generic points for definably compact groups definable in a sufficiently saturated o-minimal expansion of a real closed field. We use this notion along with some properties of generic sets to prove that for every definably compact definably connected group $G$ definable in...

Recent Development in the CESE Method for the Solution of the Navier-Stokes Equations Using Unstructured Triangular or Tetrahedral Meshes With High Aspect Ratio

Science.gov (United States)

Chang, Sin-Chung; Chang, Chau-Lyan; Yen, Joseph C.

2013-01-01

In the multidimensional CESE development, triangles and tetrahedra turn out to be the most natural building blocks for 2D and 3D spatial meshes. As such the CESE method is compatible with the simplest unstructured meshes and thus can be easily applied to solve problems with complex geometries. However, because the method uses space-time staggered stencils, solution decoupling may become a real nuisance in applications involving unstructured meshes. In this paper we will describe a simple and general remedy which, according to numerical experiments, has removed any possibility of solution decoupling. Moreover, in a real-world viscous flow simulation near a solid wall, one often encounters a case where a boundary with high curvature or sharp corner is surrounded by triangular/tetrahedral meshes of extremely high aspect ratio (up to 106). For such an extreme case, the spatial projection of a space-time compounded conservation element constructed using the original CESE design may become highly concave and thus its centroid (referred to as a spatial solution point) may lie far outside of the spatial projection. It could even be embedded beyond a solid wall boundary and causes serious numerical difficulties. In this paper we will also present a new procedure for constructing conservation elements and solution elements which effectively overcomes the difficulties associated with the original design. Another difficulty issue which was addressed more recently is the wellknown fact that accuracy of gradient computations involving triangular/tetrahedral grids deteriorates rapidly as the aspect ratio of grid cells increases. The root cause of this difficulty was clearly identified and several remedies to overcome it were found through a rigorous mathematical analysis. However, because of the length of the current paper and the complexity of mathematics involved, this new work will be presented in another paper.

Silicon nitride gradient film as the underlayer of ultra-thin tetrahedral amorphous carbon overcoat for magnetic recording slider

Energy Technology Data Exchange (ETDEWEB)

Wang Guigen, E-mail: wanggghit@yahoo.com [Shenzhen Graduate School, Harbin Institute of Technology, Shenzhen 518055 (China); Kuang Xuping; Zhang Huayu; Zhu Can [Shenzhen Graduate School, Harbin Institute of Technology, Shenzhen 518055 (China); Han Jiecai [Shenzhen Graduate School, Harbin Institute of Technology, Shenzhen 518055 (China); Center for Composite Materials, Harbin Institute of Technology, Harbin 150080 (China); Zuo Hongbo [Center for Composite Materials, Harbin Institute of Technology, Harbin 150080 (China); Ma Hongtao [SAE Technologies Development (Dongguan) Co., Ltd., Dongguan 523087 (China)

2011-12-15

Highlights: Black-Right-Pointing-Pointer The ultra-thin carbon films with different silicon nitride (Si-N) film underlayers were prepared. Black-Right-Pointing-Pointer It highlighted the influences of Si-N underlayers. Black-Right-Pointing-Pointer The carbon films with Si-N underlayers obtained by nitriding especially at the substrate bias of -150 V, can exhibit better corrosion protection properties - Abstract: There are higher technical requirements for protection overcoat of magnetic recording slider used in high-density storage fields for the future. In this study, silicon nitride (Si-N) composition-gradient films were firstly prepared by nitriding of silicon thin films pre-sputtered on silicon wafers and magnetic recording sliders, using microwave electron cyclotron resonance plasma source. The ultra-thin tetrahedral amorphous carbon films were then deposited on the Si-N films by filtered cathodic vacuum arc method. Compared with amorphous carbon overcoats with conventional silicon underlayers, the overcoats with Si-N underlayers obtained by plasma nitriding especially at the substrate bias of -150 V, can provide better corrosion protection for high-density magnetic recording sliders.

Silicon nitride gradient film as the underlayer of ultra-thin tetrahedral amorphous carbon overcoat for magnetic recording slider

International Nuclear Information System (INIS)

Wang Guigen; Kuang Xuping; Zhang Huayu; Zhu Can; Han Jiecai; Zuo Hongbo; Ma Hongtao

2011-01-01

Highlights: ► The ultra-thin carbon films with different silicon nitride (Si-N) film underlayers were prepared. ► It highlighted the influences of Si-N underlayers. ► The carbon films with Si-N underlayers obtained by nitriding especially at the substrate bias of −150 V, can exhibit better corrosion protection properties - Abstract: There are higher technical requirements for protection overcoat of magnetic recording slider used in high-density storage fields for the future. In this study, silicon nitride (Si-N) composition-gradient films were firstly prepared by nitriding of silicon thin films pre-sputtered on silicon wafers and magnetic recording sliders, using microwave electron cyclotron resonance plasma source. The ultra-thin tetrahedral amorphous carbon films were then deposited on the Si-N films by filtered cathodic vacuum arc method. Compared with amorphous carbon overcoats with conventional silicon underlayers, the overcoats with Si-N underlayers obtained by plasma nitriding especially at the substrate bias of −150 V, can provide better corrosion protection for high-density magnetic recording sliders.

New Site Coefficients and Site Classification System Used in Recent Building Seismic Code Provisions

Science.gov (United States)

Dobry, R.; Borcherdt, R.D.; Crouse, C.B.; Idriss, I.M.; Joyner, W.B.; Martin, G.R.; Power, M.S.; Rinne, E.E.; Seed, R.B.

2000-01-01

Recent code provisions for buildings and other structures (1994 and 1997 NEHRP Provisions, 1997 UBC) have adopted new site amplification factors and a new procedure for site classification. Two amplitude-dependent site amplification factors are specified: Fa for short periods and Fv for longer periods. Previous codes included only a long period factor S and did not provide for a short period amplification factor. The new site classification system is based on definitions of five site classes in terms of a representative average shear wave velocity to a depth of 30 m (V?? s). This definition permits sites to be classified unambiguously. When the shear wave velocity is not available, other soil properties such as standard penetration resistance or undrained shear strength can be used. The new site classes denoted by letters A - E, replace site classes in previous codes denoted by S1 - S4. Site classes A and B correspond to hard rock and rock, Site Class C corresponds to soft rock and very stiff / very dense soil, and Site Classes D and E correspond to stiff soil and soft soil. A sixth site class, F, is defined for soils requiring site-specific evaluations. Both Fa and Fv are functions of the site class, and also of the level of seismic hazard on rock, defined by parameters such as Aa and Av (1994 NEHRP Provisions), Ss and S1 (1997 NEHRP Provisions) or Z (1997 UBC). The values of Fa and Fv decrease as the seismic hazard on rock increases due to soil nonlinearity. The greatest impact of the new factors Fa and Fv as compared with the old S factors occurs in areas of low-to-medium seismic hazard. This paper summarizes the new site provisions, explains the basis for them, and discusses ongoing studies of site amplification in recent earthquakes that may influence future code developments.

Hanford Site Development Plan

International Nuclear Information System (INIS)

Hathaway, H.B.; Daly, K.S.; Rinne, C.A.; Seiler, S.W.

1992-05-01

The Hanford Site Development Plan (HSDP) provides an overview of land use, infrastructure, and facility requirements to support US Department of Energy (DOE) programs at the Hanford Site. The HSDP's primary purpose is to inform senior managers and interested parties of development activities and issues that require a commitment of resources to support the Hanford Site. The HSDP provides a land use plan for the Hanford Site and presents a picture of what is currently known and anticipated in accordance with DOE Order 4320.1B. Site Development Planning. The HSDP wig be updated annually as future decisions further shape the mission and overall site development process. Further details about Hanford Site development are defined in individual area development plans

Who Defines "Democratic Leadership?": Three High School Principals Respond to Site-Based Reforms.

Science.gov (United States)

Brouillette, Liane

1997-01-01

Focuses on behaviors and activities of three high school principals as they respond to district's decision to implement a shared decision-making model designed to give teachers and parents a larger voice. Describes these administrators' varying responses, along with varied ways democratic leadership was multilaterally defined in each school by…

Land contamination. Technical guidance on special sites: nuclear sites

International Nuclear Information System (INIS)

Hill, M.; Steeds, J.; Slade, N.

2001-01-01

Part IIA of the Environmental Protection Act 1990 sets out a regulatory regime for the identification and remediation of land where contamination is causing unacceptable risks to defined receptors. The Environment Agency has a number of regulatory roles under this regime. Where land is designated as a Special Site, as defined in the Contaminated Land (England) Regulations 2000, the Agency will act as the enforcing authority. It is expected that a similar regime will be introduced in Wales during 2001, but the reader should check whether definitions of Special Sites in the Welsh regulations are the same as in the English ones. The Environment Agency's approach to carrying out its regulatory responsibilities is set out in its Part RA Process Documentation,, available on the Agency website (www.environment-agency. gov.uk). This documentation sets out how the Agency intends to carry out its responsibilities under Part IIA of the Environmental Protection Act 1990, which came into force in England on 1 April 2000

Neutralization escape mutants define a dominant immunogenic neutralization site on hepatitis A virus

International Nuclear Information System (INIS)

Stapleton, J.T.; Lemon, S.M.

1987-01-01

Hepatitis A virus is an hepatotrophic human picornavirus which demonstrates little antigenic variability. To topologically map immunogenic sites on hepatitis A virus which elicit neutralizing antibodies, eight neutralizing monoclonal antibodies were evaluated in competition immunoassays employing radiolabeled monoclonal antibodies and HM-175 virus. Whereas two antibodies (K3-4C8 and K3-2F2) bound to intimately overlapping epitopes, the epitope bound by a third antibody (B5-B3) was distinctly different as evidenced by a lack of competition between antibodies for binding to the virus. The other five antibodies variably blocked the binding of both K3-4C8-K3-2F2 and B5-B3, suggesting that these epitopes are closely spaced and perhaps part of a single neutralization immunogenic site. Several combinations of monoclonal antibodies blocked the binding of polyclonal human convalescent antibody by greater than 96%, indicating that the neutralization epitopes bound by these antibodies are immunodominant in humans. Spontaneously arising HM-175 mutants were selected for resistance to monoclonal antibody-mediated neutralization. Neutralization resistance was associated with reduced antibody binding. These results suggest that hepatitis A virus may differ from poliovirus in possessing a single, dominant neutralization immunogenic site and therefore may be a better candidate for synthetic peptide or antiidiotype vaccine development

Complete Genome Sequence of Germline Chromosomally Integrated Human Herpesvirus 6A and Analyses Integration Sites Define a New Human Endogenous Virus with Potential to Reactivate as an Emerging Infection.

Science.gov (United States)

Tweedy, Joshua; Spyrou, Maria Alexandra; Pearson, Max; Lassner, Dirk; Kuhl, Uwe; Gompels, Ursula A

2016-01-15

Human herpesvirus-6A and B (HHV-6A, HHV-6B) have recently defined endogenous genomes, resulting from integration into the germline: chromosomally-integrated "CiHHV-6A/B". These affect approximately 1.0% of human populations, giving potential for virus gene expression in every cell. We previously showed that CiHHV-6A was more divergent than CiHHV-6B by examining four genes in 44 European CiHHV-6A/B cardiac/haematology patients. There was evidence for gene expression/reactivation, implying functional non-defective genomes. To further define the relationship between HHV-6A and CiHHV-6A we used next-generation sequencing to characterize genomes from three CiHHV-6A cardiac patients. Comparisons to known exogenous HHV-6A showed CiHHV-6A genomes formed a separate clade; including all 85 non-interrupted genes and necessary cis-acting signals for reactivation as infectious virus. Greater single nucleotide polymorphism (SNP) density was defined in 16 genes and the direct repeats (DR) terminal regions. Using these SNPs, deep sequencing analyses demonstrated superinfection with exogenous HHV-6A in two of the CiHHV-6A patients with recurrent cardiac disease. Characterisation of the integration sites in twelve patients identified the human chromosome 17p subtelomere as a prevalent site, which had specific repeat structures and phylogenetically related CiHHV-6A coding sequences indicating common ancestral origins. Overall CiHHV-6A genomes were similar, but distinct from known exogenous HHV-6A virus, and have the capacity to reactivate as emerging virus infections.

Site observational work plan for the UMTRA Project site at Falls City, Texas

International Nuclear Information System (INIS)

1995-06-01

Produced by the US Department of Energy (DOE), this site observational work plan (SOWP) will be used to determine site-specific activities to comply with the US Environmental Protection Agency (EPA) ground water standards at this Uranium Mill Tailings Remedial Action (UMTRA) Project site. The purpose of the SOWP is to recommend a site-specific ground water compliance strategy at the Falls City UMTRA Project site. The Falls City SOWP presents a comprehensive summary of site hydrogeological data, delineates a conceptual model of the aquifer system, and discusses the origins of milling-related ground water contamination. It also defines the magnitude of ground water contamination, potential environmental and health risks associated with ground water contamination and data gaps, and targets a proposed compliance strategy

Definably compact groups definable in real closed fields.II

OpenAIRE

Barriga, Eliana

2017-01-01

We continue the analysis of definably compact groups definable in a real closed field $\\mathcal{R}$. In [3], we proved that for every definably compact definably connected semialgebraic group $G$ over $\\mathcal{R}$ there are a connected $R$-algebraic group $H$, a definable injective map $\\phi$ from a generic definable neighborhood of the identity of $G$ into the group $H\\left(R\\right)$ of $R$-points of $H$ such that $\\phi$ acts as a group homomorphism inside its domain. The above result and o...

Useful Bicistronic Reporter System for Studying Poly(A Site-Defining cis Elements and Regulation of Alternative Polyadenylation

Directory of Open Access Journals (Sweden)

Zhongyuan Deng

2018-01-01

Full Text Available The link between polyadenylation (pA and various biological, behavioral, and pathological events of eukaryotes underlines the need to develop in vivo polyadenylation assay methods for characterization of the cis-acting elements, trans-acting factors and environmental stimuli that affect polyadenylation efficiency and/or relative usage of two alternative polyadenylation (APA sites. The current protein-based CAT or luciferase reporter systems can measure the polyadenylation efficiency of a single pA site or candidate cis element but not the choice of two APA sites. To address this issue, we developed a set of four new bicistronic reporter vectors that harbor either two luciferase or fluorescence protein open reading frames connected with one Internal Ribosome Entry Site (IRES. Transfection of single or dual insertion constructs of these vectors into mammalian cells demonstrated that they could be utilized not only to quantify the strength of a single candidate pA site or cis element, but also to accurately measure the relative usage of two APA sites at both the mRNA (qRT-PCR and protein levels. This represents the first reporter system that can study polyadenylation efficiency of a single pA site or element and regulation of two APA sites at both the mRNA and protein levels.

Study of iron valence state and position in sub-site by Moessbauer spectroscopy

International Nuclear Information System (INIS)

Uhm, Young Rang; Lim, Jae Cheong; KIm, Chul Sung; Son, Kwang Jae

2014-01-01

The magnetic ordering temperature and the magnitude of the magnetic fields at the iron sites of YIG can be influenced by substituting, either partially or totally, the Fe 3+ ions at the octahedral and/or the tetrahedral sites with magnetic or diamagnetic ions, and/or by substitution the Y 3+ ions at the dodecahedral sites with magnetic rare earth ions. It has been known for some time that Moessbauer spectroscopy is a powerful method by which iron-containing garnets can be studied. We report here on the synthesis of the compounds with garnet-related structures of composition Y 3 Fe 4.5 Cr 0.5 O 12 and its examination by 57 Fe Moessbauer spectroscopy. The chromium in compounds of the Y 3 Fe 4.5 Cr 0.5 O 12 is distributed at an octahedral site. The Moessbauer spectra can be analyzed using 3 or 4 sets of six Lorentzians with increasing amount of Cr 3+ compounds in this system. It results from the distribution ( 4 C n ) of Fe 3+ and Cr 3+ at an octahedral site. A comparative study of ferrous tablets of Dynabi was carried out using Moessbauer spectroscopy. The obtained results revealed the presence of ferrous (Fe 2+ ) gluconate and ferrous fumarate in a sample. This observation is important to better control the iron state in such medicaments because their pharmaceutical effect in the body is related to the form and valence of iron. The Cr-containing yttrium iron garnet (YIG), and the exchange interactions and site distributions were studied using 57 Fe Moessbauer spectroscopy. The obtained results revealed the presence of ferrous (Fe 2+ ) gluconate and ferrous fumarate in the sample. This observation is important better control the iron state in such medicaments because their pharmaceutical effect in the body is related to the form and valence of iron

Effect of nanoparticles as lubricant additives on friction and wear behavior of tetrahedral amorphous carbon (ta-C coating

Directory of Open Access Journals (Sweden)

Xiang Li

2018-03-01

Full Text Available As diamond like carbon (DLC coating becomes increasingly popular in providing low friction and wear under lubricated conditions, the effect of various oil additives on tribological behavior of DLC coating is drawing more attention. Various oil additives, such as ZnDTP and MoDTC, have been widely used in automobile engine industry to pursuit excellent tribological performance in the insufficient lubrication condition. Although such commercial oil additives have been proven to reduce friction or/and wear to some extent, usage of such high -SAPS (sulphuric ash, phosphor, sulfphur conventional additives is bound to arouse concerns due to environmental reasons. In this research, we investigate the effect of two nanoparticle oil additives, which are cerium oxide (CeO2 and zirconium dioxide (ZrO2, on friction and wear of non-hydrogen tetrahedral amorphous carbon (ta-C coating. The results show that by adding ZrO2 nanoparticle, the friction of DLC coating could be reduced about 32% compared to non-additive base oil scenario, but specific wear rate increases by 40%. When CeO2 nanoparticle is used, friction increases by 22% compared to non-additive base oil scenario, however wear decreases by nearly 77%.

Structural study of Mg doped cobalt ferrite thin films on ITO coated glass substrate

Science.gov (United States)

Suthar, Mahesh; Bapna, Komal; Kumar, Kishor; Ahuja, B. L.

2018-05-01

We have synthesized thin films of Co1-xMgxFe2O4 (x = 0, 0.4, 0.6, 0.8, 1) on transparent conducting indium tin oxide (ITO) coated glass substrate by pulsed laser deposition method. The structural properties of the grown films were analyzed by the X-ray diffraction and Raman spectroscopy, which suggest the single phase growth of these films. Raman spectra revealed the incorporation of Mg ions into CoFe2O4 lattice and suggest that the Mg ions initially go both to the octahedral and tetrahedral sites upto a certain concentration. For higher concentration, Mg ions prefer to occupy the tetrahedral sites.

FBN1 gene mutation defines the profibrillin to fibrillin processing site and segregates with tall stature in a family

Energy Technology Data Exchange (ETDEWEB)

Grossfield, J.; Cao, S.; Milewicz, D. [Univ. of Texas Medical School, Houston, TX (United States)] [and others

1994-09-01

Dermal fibroblasts from a 13-year-old boy with skeletal features of the Marfan syndrome were used to study fibrillin synthesis and processing. Synthesis and secretion of profibrillin was normal but only half of the secreted profibrillin was converted to fibrillin, an extracellular proteolytic processing that removes a 20 kDa fragment from the protein. All the secreted profibrillin was processed to fibrillin in control cells. Only the processed form of fibrillin was deposited into the extracellular matrix in both the proband`s and the control cells. Electron microscopic examination of rotary shadowed microfibrils made by the proband`s fibroblasts were indistinguishable from control cells. Screening exons in the 3{prime} end of the FBN1 gene revealed a heterozygous C to T transition at nucleotide 5482 of the FBN1 cDNA changing R 1828 to W. This mutation disrupts a known consensus sequence recognized by a cellular protease and is located in the carboxy terminus at a site predicted to remove a 19 kD fragment. The proband and his 22-year-old brother, also heterozygous for the mutation, have had normal echocardiograms and ophthalmologic exams. The mutation segregated in the proband`s three generation family with autosomal dominant inheritance of height (> 90th percentile) and no known cardiovascular or ocular problems, including the 67-year-old grandmother (exams pending). The mutation was not found in 90 chromosomes from unrelated individuals. In summary, (1) the mutation identifies the cleavage site for the conversion of profibrillin to fibrillin; (2) the characterized mutation segregates in the family with tall stature without known cardiovascular or ocular problems; (3) this mutation potentially defines the phenotype associated with a {open_quotes}null{close_quotes} allele for the FBN1 gene.

Complete Genome Sequence of Germline Chromosomally Integrated Human Herpesvirus 6A and Analyses Integration Sites Define a New Human Endogenous Virus with Potential to Reactivate as an Emerging Infection

Science.gov (United States)

Tweedy, Joshua; Spyrou, Maria Alexandra; Pearson, Max; Lassner, Dirk; Kuhl, Uwe; Gompels, Ursula A.

2016-01-01

Human herpesvirus-6A and B (HHV-6A, HHV-6B) have recently defined endogenous genomes, resulting from integration into the germline: chromosomally-integrated “CiHHV-6A/B”. These affect approximately 1.0% of human populations, giving potential for virus gene expression in every cell. We previously showed that CiHHV-6A was more divergent than CiHHV-6B by examining four genes in 44 European CiHHV-6A/B cardiac/haematology patients. There was evidence for gene expression/reactivation, implying functional non-defective genomes. To further define the relationship between HHV-6A and CiHHV-6A we used next-generation sequencing to characterize genomes from three CiHHV-6A cardiac patients. Comparisons to known exogenous HHV-6A showed CiHHV-6A genomes formed a separate clade; including all 85 non-interrupted genes and necessary cis-acting signals for reactivation as infectious virus. Greater single nucleotide polymorphism (SNP) density was defined in 16 genes and the direct repeats (DR) terminal regions. Using these SNPs, deep sequencing analyses demonstrated superinfection with exogenous HHV-6A in two of the CiHHV-6A patients with recurrent cardiac disease. Characterisation of the integration sites in twelve patients identified the human chromosome 17p subtelomere as a prevalent site, which had specific repeat structures and phylogenetically related CiHHV-6A coding sequences indicating common ancestral origins. Overall CiHHV-6A genomes were similar, but distinct from known exogenous HHV-6A virus, and have the capacity to reactivate as emerging virus infections. PMID:26784220

Umatilla Satellite and Release Sites Project : Final Siting Report.

Energy Technology Data Exchange (ETDEWEB)

Montgomery, James M.

1992-04-01

This report presents the results of site analysis for the Umatilla Satellite and Release Sites Project. The purpose of this project is to provide engineering services for the siting and conceptual design of satellite and release facilities for the Umatilla Basin hatchery program. The Umatilla Basin hatchery program consists of artificial production facilities for salmon and steelhead to enhance production in the Umatilla River as defined in the Umatilla master plan approved in 1989 by the Northwest Power Planning Council. Facilities identified in the master plan include adult salmon broodstock holding and spawning facilities, facilities for recovery, acclimation, and/or extended rearing of salmon juveniles, and development of river sites for release of hatchery salmon and steelhead. The historic and current distribution of fall chinook, summer chinook, and coho salmon and steelhead trout was summarized for the Umatilla River basin. Current and future production and release objectives were reviewed. Twenty seven sites were evaluated for the potential and development of facilities. Engineering and environmental attributes of the sites were evaluated and compared to facility requirements for water and space. Site screening was conducted to identify the sites with the most potential for facility development. Alternative sites were selected for conceptual design of each facility type. A proposed program for adult holding facilities, final rearing/acclimation, and direct release facilities was developed.

Site systems engineering: Systems engineering management plan

Energy Technology Data Exchange (ETDEWEB)

Grygiel, M.L. [Westinghouse Hanford Co., Richland, WA (United States)

1996-05-03

The Site Systems Engineering Management Plan (SEMP) is the Westinghouse Hanford Company (WHC) implementation document for the Hanford Site Systems Engineering Policy, (RLPD 430.1) and Systems Engineering Criteria Document and Implementing Directive, (RLID 430.1). These documents define the US Department of Energy (DOE), Richland Operations Office (RL) processes and products to be used at Hanford to implement the systems engineering process at the site level. This SEMP describes the products being provided by the site systems engineering activity in fiscal year (FY) 1996 and the associated schedule. It also includes the procedural approach being taken by the site level systems engineering activity in the development of these products and the intended uses for the products in the integrated planning process in response to the DOE policy and implementing directives. The scope of the systems engineering process is to define a set of activities and products to be used at the site level during FY 1996 or until the successful Project Hanford Management Contractor (PHMC) is onsite as a result of contract award from Request For Proposal DE-RP06-96RL13200. Following installation of the new contractor, a long-term set of systems engineering procedures and products will be defined for management of the Hanford Project. The extent to which each project applies the systems engineering process and the specific tools used are determined by the project`s management.

In vitro site selection of a consensus binding site for the Drosophila melanogaster Tbx20 homolog midline.

Directory of Open Access Journals (Sweden)

Nima Najand

Full Text Available We employed in vitro site selection to identify a consensus binding sequence for the Drosophila melanogaster Tbx20 T-box transcription factor homolog Midline. We purified a bacterially expressed T-box DNA binding domain of Midline, and used it in four rounds of precipitation and polymerase-chain-reaction based amplification. We cloned and sequenced 54 random oligonucleotides selected by Midline. Electromobility shift-assays confirmed that 27 of these could bind the Midline T-box. Sequence alignment of these 27 clones suggests that Midline binds as a monomer to a consensus sequence that contains an AGGTGT core. Thus, the Midline consensus binding site we define in this study is similar to that defined for vertebrate Tbx20, but differs from a previously reported Midline binding sequence derived through site selection.

The Crystal Structure of Cu4Bi4Se9

DEFF Research Database (Denmark)

Makovicky, E.; Søtofte, Inger; Karup-Møller, S.

2002-01-01

contains three square pyramidal Bi sites, an octahedrally coordinated Bi site as well as two tetrahedrally and two irregularly coordinated Cu sites. The structure is an intergrowth of PbS-like slabs with irregularly configured slabs of Bi pyramids and Cu tetrahedra. It contains covalently bonded Se-2...

Characterization of biogas bibliography measures on sites; Caracterisation des Biogaz bibliographie mesures sur sites

Energy Technology Data Exchange (ETDEWEB)

Poulleau, J.

2002-10-15

The aim of this study is to define the pollutants emissions related to the combustion of biogas of different sources: motors, furnaces, flares...The project is presented in three parts: a bibliographic study on the chemical characterization of the biogas, a first series of measures on production sites and a second series of measures on a site of valorization and destruction of biogas. (A.L.B.)

Impact of Nd{sup 3+} in CoFe{sub 2}O{sub 4} spinel ferrite nanoparticles on cation distribution, structural and magnetic properties

Energy Technology Data Exchange (ETDEWEB)

Yadav, Raghvendra Singh, E-mail: yadav@fch.vutbr.cz [Materials Research Centre, Brno University of Technology, Purkyňova 464/118, 61200 Brno (Czech Republic); Havlica, Jaromir; Masilko, Jiri; Kalina, Lukas; Wasserbauer, Jaromir; Hajdúchová, Miroslava; Enev, Vojtěch [Materials Research Centre, Brno University of Technology, Purkyňova 464/118, 61200 Brno (Czech Republic); Kuřitka, Ivo; Kožáková, Zuzana [Centre of Polymer Systems, University Institute, Tomas Bata University in Zlín, Nad Ovčírnou 3685, 760 01 Zlín (Czech Republic)

2016-02-01

Nd{sup 3+} doped cobalt ferrite nanoparticles have been synthesized by starch-assisted sol–gel auto-combustion method. The significant role played by Nd{sup 3+} added to cobalt ferrite in changing cation distribution and further in influencing structural and magnetic properties, was explored and reported. The crystal structure formation and crystallite size were studied from X-ray diffraction studies. The microstructural features were investigated by field emission scanning electron microscopy and transmission electron microscopy that demonstrates the nanocrystalline grain formation with spherical morphology. An infrared spectroscopy study shows the presence of two absorption bands related to tetrahedral and octahedral group complexes within the spinel ferrite lattice system. The change in Raman modes in synthesized ferrite system were observed with Nd{sup 3+} substitution, particle size and cation redistribution. The impact of Nd{sup 3+} on cation distribution of Co{sup 2+} and Fe{sup 3+} at octahedral and tetrahedral sites in spinel ferrite cobalt ferrite nanoparticles was investigated by X-ray photoelectron spectroscopy. Room temperature magnetization measurements showed that the saturation magnetization and coercivity increase with addition of Nd{sup 3+} substitution in cobalt ferrite. - Highlights: • Nd{sup 3+} doped CoFe{sub 2}O{sub 4} nanoparticles by starch-assisted sol–gel auto-combustion method. • The change in Raman modes with Nd{sup 3+} substitution. • Presence of absorption infrared bands related to octahedral and tetrahedral site. • The impact of Nd{sup 3+} on cation distribution at octahedral and tetrahedral sites. • Influence of Nd{sup 3+} substitution in cobalt ferrite on magnetic properties.

Defining quality metrics and improving safety and outcome in allergy care.

Science.gov (United States)

Lee, Stella; Stachler, Robert J; Ferguson, Berrylin J

2014-04-01

The delivery of allergy immunotherapy in the otolaryngology office is variable and lacks standardization. Quality metrics encompasses the measurement of factors associated with good patient-centered care. These factors have yet to be defined in the delivery of allergy immunotherapy. We developed and applied quality metrics to 6 allergy practices affiliated with an academic otolaryngic allergy center. This work was conducted at a tertiary academic center providing care to over 1500 patients. We evaluated methods and variability between 6 sites. Tracking of errors and anaphylaxis was initiated across all sites. A nationwide survey of academic and private allergists was used to collect data on current practice and use of quality metrics. The most common types of errors recorded were patient identification errors (n = 4), followed by vial mixing errors (n = 3), and dosing errors (n = 2). There were 7 episodes of anaphylaxis of which 2 were secondary to dosing errors for a rate of 0.01% or 1 in every 10,000 injection visits/year. Site visits showed that 86% of key safety measures were followed. Analysis of nationwide survey responses revealed that quality metrics are still not well defined by either medical or otolaryngic allergy practices. Academic practices were statistically more likely to use quality metrics (p = 0.021) and perform systems reviews and audits in comparison to private practices (p = 0.005). Quality metrics in allergy delivery can help improve safety and quality care. These metrics need to be further defined by otolaryngic allergists in the changing health care environment. © 2014 ARS-AAOA, LLC.

Lessons learned in the implementation of Integrated Safety Management at DOE Order Compliance Sites vs Necessary and Sufficient Sites

International Nuclear Information System (INIS)

Hill, R.L.

2000-01-01

This paper summarizes the development and implementation of Integrated Safety Management (ISM) at an Order Compliance Site (Savannah River Site) and a Necessary and Sufficient Site (Nevada Test Site). A discussion of each core safety function of ISM is followed by an example from an Order Compliance Site and a Necessary and Sufficient Site. The Savannah River Site was the first DOE site to have a DOE Headquarters-validated and approved ISM System. The NTS is beginning the process of verification and validation. This paper defines successful strategies for integrating Environment, Safety, and Health management into work under various scenarios

Site selection handbook: Workshop on site selection for low-level radioactive waste disposal facilities

International Nuclear Information System (INIS)

1987-10-01

The Low-Level Radioactive Waste Policy Amendments Act of 1985 (LLRWPAA) requires the Department of Energy (DOE) to provide technical assistance to ''...those compact regions, host States and nonmember States determined by the Secretary to require assistance.'' Technical assistance has been defined to include, but not be limited to, ''technical guidelines for site selection.'' This site selection workshop was developed to assist States and Compacts in developing new low-level radioactive waste (LLW) disposal sites in accordance with the requirements of the LLRWPAA. The workshop comprises a series of lectures, discussion topics, and exercises, supported by this Site Selection Workshop Handbook, designed to examine various aspects of a comprehensive site selection program. It is not an exhaustive treatment of all aspects of site selection, nor is it prescriptive. The workshop focuses on the major elements of site selection and the tools that can be used to implement the site selection program

Site locality identification study: Hanford Site. Volume I. Methodology, guidelines, and screening

International Nuclear Information System (INIS)

1980-07-01

Presented in this report are the results of the site locality identification study for the Hanford Site using a screening process. To enable evaluation of the entire Hanford Site, the screening process was applied to a somewhat larger area; i.e., the Pasco Basin. The study consisted of a series of screening steps that progressively focused on smaller areas which are within the Hanford Site and which had a higher potential for containing suitable repository sites for nuclear waste than the areas not included for further study. Five site localities, designated H-1, H-2, H-3, H-4, H-5 (Figure A), varying in size from approximately 10 to 50 square miles, were identified on the Hanford Site. It is anticipated that each site locality may contain one or more candidate sites suitable for a nuclear waste repository. The site locality identification study began with definition of objectives and the development of guidelines for screening. Three objectives were defined: (1) maximize public health and safety; (2) minimize adverse environmental and socioeconomic impacts; and (3) minimize system costs. The screening guidelines have numerical values that provided the basis for the successive reduction of the area under study and to focus on smaller areas that had a higher likelihood of containing suitable sites

Site characterization in fractured crystalline rock

International Nuclear Information System (INIS)

Andersson, Peter; Andersson, J.E.; Gustafsson, E.; Nordqvist, R.; Voss, C.

1993-03-01

This report concerns a study which is part of the SKI performance assessment project SITE-94. SITE-94 is a performance assessment of a hypothetical repository at a real site. The main objective of the project is to determine how site specific data should be assimilated into the performance assessment process and to evaluate how uncertainties inherent in site characterization will influence performance assessment results. Other important elements of SITE-94 are the development of a practical and defensible methodology for defining, constructing and analyzing scenarios, the development of approaches for treatment of uncertainties, evaluation of canister integrity, and the development and application of an appropriate Quality Assurance plan for Performance Assessments. (111 refs.)

The Savannah River Site`s Groundwater Monitoring Program, third quarter 1989

Energy Technology Data Exchange (ETDEWEB)

1989-12-31

The Environmental Monitoring Section of the Environmental and Health Protection (EHP) Department administers the Savannah River Site`s Groundwater Monitoring Program. During third quarter 1989 (July--September), EHP conducted routine sampling of monitoring wells and drinking water locations. EHP collected the drinking water samples from Savannah River Site (SRS) drinking water systems supplied by wells. EHP established two sets of flagging criteria in 1986 to assist in the management of sample results. The flagging criteria do not define contamination levels; instead they aid personnel in sample scheduling, interpretation of data, and trend identification. The flagging criteria are based on detection limits, background levels in SRS groundwater, and drinking water standards. An explanation of flagging criteria for the third quarter is presented in the Flagging Criteria section of this document. All analytical results from third quarter 1989 are listed in this report, which is distributed to all waste-site custodians.

The synthesis and complex anion-vacancy ordered structure of La0.33Sr0.67MnO2.42

International Nuclear Information System (INIS)

Dixon, Edward; Hadermann, Joke; Hayward, Michael A.

2011-01-01

The low-temperature topotactic reduction of La 0.33 Sr 0.67 MnO 3 with NaH results in the formation of La 0.33 Sr 0.67 MnO 2.42 . A combination of neutron powder and electron diffraction data show that La 0.33 Sr 0.67 MnO 2.42 adopts a novel anion-vacancy ordered structure with a 6-layer OOTOOT' stacking sequence of the 'octahedral' and tetrahedral layers (Pcmb, a=5.5804(1) A, b=23.4104(7) A, c=11.2441(3) A). A significant concentration of anion vacancies at the anion site, which links neighbouring 'octahedral' layers means that only 25% of the 'octahedral' manganese coordination sites actually have 6-fold MnO 6 coordination, the remainder being MnO 5 square-based pyramidal sites. The chains of cooperatively twisted apex-linked MnO 4 tetrahedra adopt an ordered -L-R-L-R- arrangement within each tetrahedral layer. This is the first published example of a fully refined structure of this type which exhibits such intralayer ordering of the twisted tetrahedral chains. The rationale behind the contrasting structures of La 0.33 Sr 0.67 MnO 2.42 and other previously reported reduced La 1-x Sr x MnO 3-y phases is discussed. - Graphical Abstract: The topotactic reduction of the perovskite phase La 0.33 Sr 0.67 MnO 3 with NaH yields La 0.33 Sr 0.67 MnO 2.42(3) , which adopts a novel anion vacancy ordered structure with a 6-layer OOTOOT' stacking sequence of the 'octahedral' and tetrahedral layers. The anion site that links the neighbouring octahedral layers is partially occupied so only 25% of the 'octahedral' manganese sites actually have 6-fold MnO 6 coordination. Highlights: → Topotactic reduction with NaH to form a mixed valent Mn 2+ /Mn 3+ phase. → Novel layered anion-vacancy ordered structure. → Comparison to related brownmillerite structure types.

Hanford Site Solid Waste Acceptance Criteria

Energy Technology Data Exchange (ETDEWEB)

1993-11-17

This manual defines the Hanford Site radioactive, hazardous, and sanitary solid waste acceptance criteria. Criteria in the manual represent a guide for meeting state and federal regulations; DOE Orders; Hanford Site requirements; and other rules, regulations, guidelines, and standards as they apply to acceptance of radioactive and hazardous solid waste at the Hanford Site. It is not the intent of this manual to be all inclusive of the regulations; rather, it is intended that the manual provide the waste generator with only the requirements that waste must meet in order to be accepted at Hanford Site TSD facilities.

Hanford Site Solid Waste Acceptance Criteria

International Nuclear Information System (INIS)

1993-01-01

This manual defines the Hanford Site radioactive, hazardous, and sanitary solid waste acceptance criteria. Criteria in the manual represent a guide for meeting state and federal regulations; DOE Orders; Hanford Site requirements; and other rules, regulations, guidelines, and standards as they apply to acceptance of radioactive and hazardous solid waste at the Hanford Site. It is not the intent of this manual to be all inclusive of the regulations; rather, it is intended that the manual provide the waste generator with only the requirements that waste must meet in order to be accepted at Hanford Site TSD facilities

Site study plan for Upper Aquifer Hydrology Clusters, Deaf Smith County Site, Texas: Surface-based geotechnical field program: Preliminary draft

International Nuclear Information System (INIS)

1988-01-01

As part of site characterization studies, at the Deaf Smith County site, Texas, 15 wells at 5 locations will be completed in the Ogallala Formation and Dockum Group. The purposes of the wells, which are called Upper Aquifer (2) establish background hydrologic and water quality conditions, (3) provide analysis, (4) monitor responses of the shallow hydrologic system to site activities and nearby pumpage for irrigation, (5) collect water samples from both saturated and unsaturated materials to help define recharge rates and ground-water flow patterns, (6) monitor variations on water quality, and (7) define ground-water resources near the site. The test wells will be installed during a 14-month period starting about 1-1/2 years after site characterization activities begin. The Technical Field Services Contractor is responsible for conducting the field program of drilling and testing. Samples and data will be handled and reported in accordance with established Salt Repository Project procedures. A quality assurance program will assure that activities affecting quality are performed correctly and that the appropriate documentation is maintained. 44 refs., 19 figs., 5 tabs

Study of iron valence state and position in sub-site by Moessbauer spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Uhm, Young Rang; Lim, Jae Cheong; KIm, Chul Sung [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Son, Kwang Jae [Kookmin Univ., Seoul (Korea, Republic of)

2014-05-15

The magnetic ordering temperature and the magnitude of the magnetic fields at the iron sites of YIG can be influenced by substituting, either partially or totally, the Fe{sup 3+} ions at the octahedral and/or the tetrahedral sites with magnetic or diamagnetic ions, and/or by substitution the Y{sup 3+} ions at the dodecahedral sites with magnetic rare earth ions. It has been known for some time that Moessbauer spectroscopy is a powerful method by which iron-containing garnets can be studied. We report here on the synthesis of the compounds with garnet-related structures of composition Y{sub 3}Fe{sub 4.5}Cr{sub 0.5}O{sub 12} and its examination by {sup 57}Fe Moessbauer spectroscopy. The chromium in compounds of the Y{sub 3}Fe{sub 4.5}Cr{sub 0.5}O{sub 12} is distributed at an octahedral site. The Moessbauer spectra can be analyzed using 3 or 4 sets of six Lorentzians with increasing amount of Cr{sup 3+} compounds in this system. It results from the distribution ({sub 4}C{sub n}) of Fe{sup 3+} and Cr{sup 3+} at an octahedral site. A comparative study of ferrous tablets of Dynabi was carried out using Moessbauer spectroscopy. The obtained results revealed the presence of ferrous (Fe{sup 2+}) gluconate and ferrous fumarate in a sample. This observation is important to better control the iron state in such medicaments because their pharmaceutical effect in the body is related to the form and valence of iron. The Cr-containing yttrium iron garnet (YIG), and the exchange interactions and site distributions were studied using {sup 57}Fe Moessbauer spectroscopy. The obtained results revealed the presence of ferrous (Fe{sup 2+}) gluconate and ferrous fumarate in the sample. This observation is important better control the iron state in such medicaments because their pharmaceutical effect in the body is related to the form and valence of iron.

A novel monoclonal antibody to a defined peptide epitope in MUC16

DEFF Research Database (Denmark)

Marcos-Silva, Lara; Ricardo, Sara; Chen, Kowa

2015-01-01

with the tandem-repeat region, their epitopes appear to be conformational dependent and not definable by a short peptide. Aberrant glycoforms of MUC16 may constitute promising targets for diagnostic and immunotherapeutic intervention, and it is important to develop well-defined immunogens for induction of potent...... immunodominant linear peptide epitopes within the tandem repeat. We developed one monoclonal antibody, 5E11, reactive with a minimum epitope with the sequence FNTTER. This sequence contains potential N- and O-glycosylation sites and, interestingly, glycosylation blocked binding of 5E11. In immunochemistry...

Defining robustness protocols: a method to include and evaluate robustness in clinical plans

International Nuclear Information System (INIS)

McGowan, S E; Albertini, F; Lomax, A J; Thomas, S J

2015-01-01

We aim to define a site-specific robustness protocol to be used during the clinical plan evaluation process. Plan robustness of 16 skull base IMPT plans to systematic range and random set-up errors have been retrospectively and systematically analysed. This was determined by calculating the error-bar dose distribution (ebDD) for all the plans and by defining some metrics used to define protocols aiding the plan assessment. Additionally, an example of how to clinically use the defined robustness database is given whereby a plan with sub-optimal brainstem robustness was identified. The advantage of using different beam arrangements to improve the plan robustness was analysed. Using the ebDD it was found range errors had a smaller effect on dose distribution than the corresponding set-up error in a single fraction, and that organs at risk were most robust to the range errors, whereas the target was more robust to set-up errors. A database was created to aid planners in terms of plan robustness aims in these volumes. This resulted in the definition of site-specific robustness protocols. The use of robustness constraints allowed for the identification of a specific patient that may have benefited from a treatment of greater individuality. A new beam arrangement showed to be preferential when balancing conformality and robustness for this case. The ebDD and error-bar volume histogram proved effective in analysing plan robustness. The process of retrospective analysis could be used to establish site-specific robustness planning protocols in proton therapy. These protocols allow the planner to determine plans that, although delivering a dosimetrically adequate dose distribution, have resulted in sub-optimal robustness to these uncertainties. For these cases the use of different beam start conditions may improve the plan robustness to set-up and range uncertainties. (paper)

Defining robustness protocols: a method to include and evaluate robustness in clinical plans

Science.gov (United States)

McGowan, S. E.; Albertini, F.; Thomas, S. J.; Lomax, A. J.

2015-04-01

We aim to define a site-specific robustness protocol to be used during the clinical plan evaluation process. Plan robustness of 16 skull base IMPT plans to systematic range and random set-up errors have been retrospectively and systematically analysed. This was determined by calculating the error-bar dose distribution (ebDD) for all the plans and by defining some metrics used to define protocols aiding the plan assessment. Additionally, an example of how to clinically use the defined robustness database is given whereby a plan with sub-optimal brainstem robustness was identified. The advantage of using different beam arrangements to improve the plan robustness was analysed. Using the ebDD it was found range errors had a smaller effect on dose distribution than the corresponding set-up error in a single fraction, and that organs at risk were most robust to the range errors, whereas the target was more robust to set-up errors. A database was created to aid planners in terms of plan robustness aims in these volumes. This resulted in the definition of site-specific robustness protocols. The use of robustness constraints allowed for the identification of a specific patient that may have benefited from a treatment of greater individuality. A new beam arrangement showed to be preferential when balancing conformality and robustness for this case. The ebDD and error-bar volume histogram proved effective in analysing plan robustness. The process of retrospective analysis could be used to establish site-specific robustness planning protocols in proton therapy. These protocols allow the planner to determine plans that, although delivering a dosimetrically adequate dose distribution, have resulted in sub-optimal robustness to these uncertainties. For these cases the use of different beam start conditions may improve the plan robustness to set-up and range uncertainties.

Patterns of mutation and selection at synonymous sites in Drosophila

DEFF Research Database (Denmark)

Singh, Nadia D; Bauer DuMont, Vanessa L; Hubisz, Melissa J

2007-01-01

, when applied to 18 coding sequences in 3 species of Drosophila, confirmed an earlier report that the Notch gene in Drosophila melanogaster was evolving under selection in favor of those codons defined as unpreferred in this species. This finding opened the possibility that synonymous sites may...... be subject to a variety of selective pressures beyond weak selection for increased frequencies of the codons currently defined as "preferred" in D. melanogaster. To further explore patterns of synonymous site evolution in Drosophila in a lineage-specific manner, we expanded the application of the maximum...... likelihood framework to 8,452 protein coding sequences with well-defined orthology in D. melanogaster, Drosophila sechellia, and Drosophila yakuba. Our analyses reveal intragenomic and interspecific variation in mutational patterns as well as in patterns and intensity of selection on synonymous sites. In D...

Perception of Sacredness at Heritage Religious Sites

Science.gov (United States)

Levi, Daniel; Kocher, Sara

2013-01-01

Tourism at historic religious sites requires balancing the needs of historic preservation, the tourist experience, and community use of the site. The sacredness of these places is defined by the behaviors that occur there, the experience of users and visitors, and the meanings associated with the place by various groups. This research examines the…

Environmental Regulatory Compliance Plan for site: Draft characterization of the Yucca Mountain site:Draft

International Nuclear Information System (INIS)

1988-01-01

The objective of the EMMP is to document compliance with the NWPA. To do so, a summary description of site characterization activites is provided, based on the consultation draft of the SCP. Subsequent chpaters identify those technical areas having the potential to be impacted by site characterization activities and the monitoring plans proposed to identify whether those impacts acutally occur. Should monitoring confirm the potential for significant adverse impact, mitigative measures will be developed. In the context of site characterization, mitigation is defined as those changes in site characterization activities that serve to avoid or minimize, to the maximum extent practicle, any significant adverse environmental impacts. Although site characterization activies involve both surface and subsurface activities, it is the surface-based aspect of site characterization that is addressed in detailed by the EMMP. The schedule and duration of these activities is given in the consultation draft of the SCP. A breif summary of all proposed activities is given in the EMMP. 10 refs., 8 figs

Nuclear spin relaxation by translational diffusion in solids

International Nuclear Information System (INIS)

Barton, W.A.; Sholl, C.A.

1978-01-01

The theory of nuclear spin relaxation by translational diffusion in solids developed in previous papers is applied to two-spin systems and third-nearest-neighbour jump models in FCC crystals. The two-spin systems describe the dipole-dipole interactions between stationary host spins and spins migrating amongst either the tetrahedral or the octahedral interstitial sites. The tetrahedral sites in a FCC crystal form a SC lattice and two models, the symmetric and asymmetric jump models, are considered for third-nearest-neighbour jumps on this lattice. Numerical results for the correlation function relevant for single crystals and polycrystals are presented over the entire temperature range. It is found that the simpler, but unphysical, symmetric jump model is a good approximation to the more complicated asymmetric jump model. (author)

CEO Sites Mission Management System (SMMS)

Science.gov (United States)

Trenchard, Mike

2014-01-01

uses the SMMS for three general functions - database queries of content and status, individual site creation and updates, and mission planning. The CEO administrator of the science site database is able to create or modify the content of sites and activate or deactivate them based on the requirements of the sponsors. The administrator supports and implements ISS mission planning by assembling, reporting, and activating mission-specific site selections for management; deactivating sites as requirements are met; and creating new sites, such as International Charter sites for disasters, as circumstances warrant. In addition to the above CEO internal uses, when site planning for a specific ISS mission is complete and approved, the SMMS can produce and export those essential site database elements for the mission into XML format for use by onboard Earth-location systems, such as Worldmap. The design, development, and implementation of the SMMS resulted in a superior database management system for CEO science sites by focusing on the functions and applications of the database alone instead of integrating the database with the multipurpose configuration of the AMPS. Unlike the AMPS, it can function and be modified within the existing Windows 7 environment. The functions and applications of the SMMS were expanded to accommodate more database elements, report products, and a streamlined interface for data entry and review. A particularly elegant enhancement in data entry was the integration of the Google Earth application for the visual display and definition of site coordinates for site areas defined by multiple coordinates. Transfer between the SMMS and Google Earth is accomplished with a Keyhole Markup Language (KML) expression of geographic data (see figures 3 and 4). Site coordinates may be entered into the SMMS panel directly for display in Google Earth, or the coordinates may be defined on the Google Earth display as a mouse-controlled polygonal definition and

Screening criteria for siting waste management facilities: Regional Management Plan

International Nuclear Information System (INIS)

1986-01-01

The Midwest Interstate Low-Level Radioactive Waste Commission (Midwest Compact) seeks to define and place into operation a system for low-level waste management that will protect the public health and safety and the environment from the time the waste leaves its point of origin. Once the system is defined it will be necessary to find suitable sites for the components of that waste management system. The procedure for siting waste management facilities that have been chosen by the compact is one in which a host state is chosen for each facility. The host state is then given the freedom to select the site. Sites will be needed of low-level waste disposal facilities. Depending on the nature of the waste management system chosen by the host state, sites may also be needed for regional waste treatment facilities, such as compactors or incinerators. This report provides example criteria for use in selecting sites for low-level radioactive waste treatment and disposal facilities. 14 refs

Defining the Lau context : recent findings on Nayau, Lau Islands, Fiji

International Nuclear Information System (INIS)

Jones O'Day, S.; O'Day, P.; Steadman, D.W.

2004-01-01

We present analyses of reconnaissance surveys, test excavations, stratigraphy, chronology, material culture, and faunal remains from 14 archaeological sites on Nayau, Lau Islands, Fiji. We found Lapita pottery on sand dunes along the southeast coast of the island. Although this site was not stratigraphically excavated or dated, our survey and test excavations of the surrounding area indicate that Lapita-period subsurface deposits are intact and widespread. Elsewhere, we obtained six AMS radiocarbon dates from bones recovered in test excavations at various site types and locations. None of the dated samples is older than ca. 710 cal BP. This chronology, combined with the presence of the Lapita site and survey data, suggests that human occupation of Nayau was continuous since Lapita times. Like Lakeba, Nayau incorporates all ceramic and cultural phases previously defined for Fiji. We suggest that archaeological data from Nayau are critical to understanding patterns of prehistoric contact and change in Lauan and Fijian society. (author). 39 refs., 7 figs., 10 tabs

Kinetic and dynamic Delaunay tetrahedralizations in three dimensions

Science.gov (United States)

Schaller, Gernot; Meyer-Hermann, Michael

2004-09-01

We describe algorithms to implement fully dynamic and kinetic three-dimensional unconstrained Delaunay triangulations, where the time evolution of the triangulation is not only governed by moving vertices but also by a changing number of vertices. We use three-dimensional simplex flip algorithms, a stochastic visibility walk algorithm for point location and in addition, we propose a new simple method of deleting vertices from an existing three-dimensional Delaunay triangulation while maintaining the Delaunay property. As an example, we analyse the performance in various cases of practical relevance. The dual Dirichlet tessellation can be used to solve differential equations on an irregular grid, to define partitions in cell tissue simulations, for collision detection etc.

Site observational work plan for the UMTRA project site at Grand Junction, Colorado

International Nuclear Information System (INIS)

1996-01-01

This site observational work plan (SOWP) is one of the first Uranium Mill Tailings Remedial Action (UMTRA) Ground Water Project documents developed to select a compliance strategy that meets the UMTRA ground water standards for the Grand Junction site. This SOWP applies information about the Grand Junction site to the compliance strategy selection framework developed in the UMTRA Ground Water Project draft programmatic environmental impact statement. This risk-based, decision-making framework identifies the decision logic for selecting compliance strategies that could be used to meet the ground water standards. The US Department of Energy (DOE) goal is to implement a cost-effective site strategy that complies with the ground water standards and protects human health and the environment. Based on an evaluation of the site characterization and risk assessment data available for the preparation of this SOWP, DOE proposes that the most likely compliance strategy for the Grand Junction site is no remediation with the application of supplemental standards. This proposed strategy is based on a conceptual site model that indicates site-related contamination is confined to a limited-use aquifer as defined in the ground water standards. The conceptual model demonstrates that the uranium processing-related contamination at the site has affected the unconfined alluvial aquifer, but not the deeper confined aquifer

Cation disorder in high-dose, neutron-irradiated spinel

International Nuclear Information System (INIS)

Sickafus, K.E.; Larson, A.C.; Yu, N.; Nastasi, M.; Hollenberg, G.W.; Garner, F.A.; Bradt, R.C.

1994-08-01

The objective of this effort is to determine whether MgAl 2 O 4 spinel is a suitable ceramic for fusion applications. Here, the crystal structures of MgAl 2 O 4 spinel single crystals irradiated to high neutron fluences [>5·10 26 n/m 2 (E n > 0.1 MeV)] were examined by neutron diffraction. Crystal structure refinement of the highest dose sample indicated that the average scattering strength of the tetrahedral crystal sites decreased by ∼ 20% while increasing by ∼ 8% on octahedral sites. Since the neutron scattering length for Mg is considerably larger than for Al, this results is consistent with site exchange between Mg 2+ ions on tetrahedral sites and Al 3+ ions on octahedral sites. Least-squares refinements also indicated that, in all irradiated samples, at least 35% of Mg 2+ and Al 3+ ions in the crystal experienced disordering replacements. This retained dpa on the cation sublattices is the largest retained damage ever measured in an irradiated spinel material

Methods of Usability Testing in Libraries Web Sites

Directory of Open Access Journals (Sweden)

Eman Fawzy

2006-03-01

Full Text Available A Study about libraries' web sites evaluation, that is the Usability, the study talking about methods of usability testing and define it, and its important in web sites evaluation, then details the methods of usability: questionnaire, core groups, testing experimental model, cards arrangement, and composed evaluation.

Remediation management of complex sites using an adaptive site management approach.

Science.gov (United States)

Price, John; Spreng, Carl; Hawley, Elisabeth L; Deeb, Rula

2017-12-15

Complex sites require a disproportionate amount of resources for environmental remediation and long timeframes to achieve remediation objectives, due to their complex geologic conditions, hydrogeologic conditions, geochemical conditions, contaminant-related conditions, large scale of contamination, and/or non-technical challenges. A recent team of state and federal environmental regulators, federal agency representatives, industry experts, community stakeholders, and academia worked together as an Interstate Technology & Regulatory Council (ITRC) team to compile resources and create new guidance on the remediation management of complex sites. This article summarizes the ITRC team's recommended process for addressing complex sites through an adaptive site management approach. The team provided guidance for site managers and other stakeholders to evaluate site complexities and determine site remediation potential, i.e., whether an adaptive site management approach is warranted. Adaptive site management was described as a comprehensive, flexible approach to iteratively evaluate and adjust the remedial strategy in response to remedy performance. Key aspects of adaptive site management were described, including tools for revising and updating the conceptual site model (CSM), the importance of setting interim objectives to define short-term milestones on the journey to achieving site objectives, establishing a performance model and metrics to evaluate progress towards meeting interim objectives, and comparing actual with predicted progress during scheduled periodic evaluations, and establishing decision criteria for when and how to adapt/modify/revise the remedial strategy in response to remedy performance. Key findings will be published in an ITRC Technical and Regulatory guidance document in 2017 and free training webinars will be conducted. More information is available at www.itrc-web.org. Copyright © 2017 Elsevier Ltd. All rights reserved.

Ultra-Tuning of the Rare-Earth fcu-MOF Aperture Size for Selective Molecular Exclusion of Branched Paraffins

KAUST Repository

Assen, Ayalew Hussen Assen; Belmabkhout, Youssef; Adil, Karim; Bhatt, Prashant; Xue, Dongxu; Jiang, Hao; Eddaoudi, Mohamed

2015-01-01

, namely fumarate, to bridge the 12-connected RE hexanuclear clusters has afforded the contraction of the well-defined RE-fcu-MOF triangular window aperture, the sole access to the two interconnected octahedral and tetrahedral cages. The newly constructed

Environmental waste site characterization utilizing aerial photographs and satellite imagery: Three sites in New Mexico, USA

International Nuclear Information System (INIS)

Van Eeckhout, E.; Pope, P.; Becker, N.; Wells, B.; Lewis, A.; David, N.

1996-01-01

The proper handling and characterization of past hazardous waste sites is becoming more and more important as world population extends into areas previously deemed undesirable. Historical photographs, past records, current aerial satellite imagery can play an important role in characterizing these sites. These data provide clear insight into defining problem areas which can be surface samples for further detail. Three such areas are discussed in this paper: (1) nuclear wastes buried in trenches at Los Alamos National Laboratory, (2) surface dumping at one site at Los Alamos National Laboratory, and (3) the historical development of a municipal landfill near Las Cruces, New Mexico

Synthesis and Characterization of Black CoFe2O4 Pigments Using MOOH (M = Fe and Co Nanorod

Directory of Open Access Journals (Sweden)

Yu R.

2017-06-01

Full Text Available We studied the coloration and phase transformation of various iron based pigment with cobalt substitution method and heat treatment. First, we synthesized well defined one dimension β-Fe/CoOOH nanorods using the solid solution method. Yellowish β-Fe/CoOOH nanorods were transformed into reddish intermediate states and, finally, black CoFe2O4 pigments was obtained. Divalent cobalt ions easily occupied tetrahedral sites. The prepared pigments were well characterized in terms of physical properties by using UV-vis, CIE Lab color parameter measurements, SEM (scanning electron microscopy and XRD (powder X-ray diffraction. In addition, the magnetization property of the prepared CoFe2O4 pigment was confirmed by VSM (vibrating sample magnetometer.

Siting Practices and Site Licensing Process for New Reactors in Canada

International Nuclear Information System (INIS)

Vos, Marcel de

2011-01-01

'Siting' in Canada is composed of Site Evaluation and Site Selection. As outlined in CNSC Regulatory Document RD-346 Site Evaluation for New Nuclear Power Plants (based on IAEA NS-R-3), prior to the triggering of the Environmental Assessment (EA) and licensing processes, the proponent is expected to use a robust process to characterize proposed sites over the full life cycle of the facility, and then develop a fully documented defense of the site selection case. This case forms the backbone for submissions in support of the EA and the application for a License to Prepare Site which will be reviewed by the CNSC and other applicable federal authorities. The Environmental Assessment process and License to Prepare Site in Canada do not require a proponent to select a specific design; however, CNSC does not accept a 'black box' approach to siting. CNSC balances the level of design information required with the extent of safety assurance desired for any designs being contemplated for the proposed site. Nevertheless, the design information submitted must be sufficient to justify the site as suitable for all future licensing stages. The depth of plant design information contributes significantly to the credibility of the applicant's case for both the EA and application for License to Prepare Site. The review process utilizes an assessment plan with defined review stages and timelines. The outcome of these reviews is a series of recommendations to a federal government appointed Joint Review Panel (which also serves as a panel of the 'Commission') which, following public hearings, renders a decision regarding the EA, and subsequently, the application for a License to Prepare Site. (author)

Deficient motion-defined and texture-defined figure-ground segregation in amblyopic children.

Science.gov (United States)

Wang, Jane; Ho, Cindy S; Giaschi, Deborah E

2007-01-01

Motion-defined form deficits in the fellow eye and the amblyopic eye of children with amblyopia implicate possible direction-selective motion processing or static figure-ground segregation deficits. Deficient motion-defined form perception in the fellow eye of amblyopic children may not be fully accounted for by a general motion processing deficit. This study investigates the contribution of figure-ground segregation deficits to the motion-defined form perception deficits in amblyopia. Performances of 6 amblyopic children (5 anisometropic, 1 anisostrabismic) and 32 control children with normal vision were assessed on motion-defined form, texture-defined form, and global motion tasks. Performance on motion-defined and texture-defined form tasks was significantly worse in amblyopic children than in control children. Performance on global motion tasks was not significantly different between the 2 groups. Faulty figure-ground segregation mechanisms are likely responsible for the observed motion-defined form perception deficits in amblyopia.

Diffusion coefficient of hydrogen in niobium and tantalum

International Nuclear Information System (INIS)

Vargas, P.; Miranda, L.; Lagos, M.

1988-08-01

We show that the current data on hydrogen diffusion in Tantalum between 15K and 550K and in Niobium between 135K and 400K can be quantitatively explained by the small polaron theory. The experimental data can be understood assuming ground-state to ground-state tunneling between interstitial sites with tetrahedral symmetry plus an activated contribution due to tunneling between excited states having octahedral symmetry. The break of the diffusivity curve at T approx. = 250K follows naturally. It evidences the transition between the tetrahedral and octahedral hopping. For Ta the second break of the diffusivity curve at T approx. = 20K indicated the recovering of the ground-state hopping with tetrahedral symmetry. Below T approx. = 10K for Ta and T approx. = 7K for Nb the diffusion coefficient becomes independent of T. (author). 17 refs, 3 figs, 1 tab

Site-specific weed control technologies

DEFF Research Database (Denmark)

Christensen, Svend; Søgaard, Henning Tangen; Kudsk, Per

2009-01-01

Site-specific weed control technologies are defined as machinery or equipment embedded with technologies that detect weeds growing in a crop and, taking into account predefined factors such as economics, takes action to maximise the chances of successfully controlling them. In the article, we...... describe the basic parts of site specific weed control technologies, comprising of weed sensing systems, weed management models and precision weed control implements. A review of state-of-the-art technologies shows that several weed sensing systems and precision implements have been developed over the last...... of knowledge about the economic and environmental potential for increasing the resolution of weed control. The integration of site-specific information on weed distribution, weed species composition and density, and the effect on crop yield, is decisive for successful site-specific weed management.   Keywords...

Development and processing temperature dependence of ferromagnetism in Zn0.98Co0.02O

International Nuclear Information System (INIS)

Hays, J.; Thurber, A.; Reddy, K. M.; Punnoose, A.; Engelhard, M. H.

2006-01-01

We report the development of room-temperature ferromagnetism (FM), with coercivity H c =2000 Oe and saturation magnetization M s ∼0.01 emu/g, in chemically synthesized powders of Zn 0.98 Co 0.02 O processed at 150 deg. C, and paramagnetism with antiferromagnetic interactions between the Co 2+ spins (S=3/2) in samples processed at higher temperatures 200≤T P ≤900 deg. C. X-ray diffraction data show a decrease in the lattice parameters a and c with T P , indicating a progressive incorporation of 0.58A sized tetrahedral Co 2+ at the substitutional sites of 0.60 A sized Zn 2+ . Diffuse reflectance spectra show three well defined absorption edges at 660, 615, and 568 nm due to the d-d crystal field transitions 4 A 2 (F)→ 2 E(G), 4 A 2 (F)→ 4 T 1 (P), and 4 A 2 (F)→ 2 T 1 (G) of high spin (S=3/2)Co 2+ in a tetrahedral crystal field, whose intensities increase with processing temperature. X-ray photoelectron spectroscopy shows that the doped Co 2+ ions in the 150 deg. C processed samples are located mostly on the surface of the particles and they disperse into the entire volume of the particles when processed at higher temperatures. The observations suggest that the FM most likely results from Co 2+ attached to the surface sites and it is lost in well dispersed samples formed at T P >150 deg. C

Identification of candidate sites for a near surface repository for radioactive waste

International Nuclear Information System (INIS)

Motiejunas, S.

2004-01-01

This Report comprises results of the area survey stage, which involves regional screening to define the regions of interest and identification of potential sites within suitable regions. The main goal was to define a few sites potentially suitable for constructing of the near surface repository. It was concluded that a vicinity of Ignalina NPP is among the best suitable regions for the near surface repository. At the present investigation level a ridge in Galilauke village has the most favorable conditions. However, Apvardai site is potentially suitable for the repository too

Iron site occupancies in magnetite-ulvospinel solid solution: A new approach using XMCD

Energy Technology Data Exchange (ETDEWEB)

Pearce, C. I.; Henderson, C. M. B.; Telling, N. D.; Pattrick, R. A.D.; Vaughan, D. J.; Charnock, J. M.; Arenholz, E.; Tuna, F.; Coker, V.S.; Laan, G. van der

2009-06-22

Ordering of Fe{sup 3+} and Fe{sup 2+} between octahedral (Oh) and tetrahedral (Td) sites in synthetic members of the magnetite (Fe{sub 3}O{sub 4}) - ulvoespinel (Fe{sub 2}TiO{sub 4}) solid-solution series was determined using Fe L{sub 2,3}-edge X-ray magnetic circular dichroism (XMCD) coupled with electron microprobe and chemical analysis, Ti L-edge spectroscopy, Fe K-edge EXAFS and XANES, Fe{sub 57} Moessbauer spectroscopy, and unit cell parameters. Microprobe analysis, cell edges and chemical FeO determinations showed that the bulk compositions of the samples were stoichiometric magnetite-ulvoespinel solid-solutions. Surface sensitive XMCD showed that the surfaces of these oxide minerals were more sensitive to redox conditions and some samples required re-equilibration with suitable solid-solid buffers. Detailed site-occupancy analysis of these samples gave XMCD-Fe{sup 2+}/Fe{sup 3+} ratios very close to stoichiometric values. L{sub 2,3}-edge spectroscopy showed that Ti{sup 4+} was restricted to Oh sites. XMCD results showed that significant Fe{sup 2+} only entered Td when the Ti content was > 0.40 apfu while Fe{sup 2+} in Oh increased from 1 a.p.f.u in magnetite to a maximum of {approx}1.4 apfu in USP45. As the Ti content increased from this point, the steady increase in Fe{sup 2+} in Td sites was clearly observable in the XMCD spectra, concurrent with a slow decrease in Fe{sup 2+} in Oh sites. Calculated magnetic moments showed a steady decrease from magnetite (4.06 {mu}{sub B}) to USP45 (1.5 {mu}{sub B}) and then a slower decrease towards the value for ulvoespinel (0 {mu}{sub B}). Two of the synthesized samples were also partially maghemitized by re-equilibrating with an oxidizing Ni-NiO buffer and XMCD showed that Fe{sup 2+} oxidation only occurred at Oh sites, with concomitant vacancy formation restricted to this site. This study shows the advantage of using XMCD as a direct measurement of Fe oxidation state in these complex magnetic spinels. These results

The Savannah River Site`s Groundwater Monitoring Program: Fourth quarter 1991

Energy Technology Data Exchange (ETDEWEB)

Rogers, C.D. [Westinghouse Savannah River Co., Aiken, SC (United States)

1992-06-02

The Environmental Protection Department/Environmental Monitoring Section (EPD/EMS) administers the Savannah River Site`s (SRS) Groundwater Monitoring Program. During fourth quarter 1991, EPD/EMS conducted extensive sampling of monitoring wells. EPD/EMS established two sets of criteria in 1986 to assist in the management of sample results. The flagging criteria do not define contamination levels; instead, they aid personnel in sample scheduling, interpretation of data, and trend identification. Beginning in 1991, the flagging criteria are based on EPA drinking water standards and method detection limits. A detailed explanation of the current flagging criteria is presented in the Flagging Criteria section of this document. Analytical results from fourth quarter 1991 are listed in this report.

The Savannah River Site`s Groundwater Monitoring Program: Second quarter 1992

Energy Technology Data Exchange (ETDEWEB)

Rogers, C.D. [Westinghouse Savannah River Co., Aiken, SC (United States)

1992-10-07

The Environmental Protection Department/Environmental Monitoring Section (EPD/EMS) administers the Savannah River Site`s (SRS) Groundwater Monitoring Program. During second quarter 1992, EPD/EMS conducted extensive sampling of monitoring wells. EPD/EMS established two sets of criteria to assist in the management of sample results. The flagging criteria do not define contamination levels; instead, they aid personnel in sample scheduling, interpretation of data, and trend identification. Since 1991, the flagging criteria have been based on the federal Environmental Protection Agency (EPA) drinking water standards and on method detection limits. A detailed explanation of the current flagging criteria is presented in the Flagging Criteria section of this document. Analytical results from second quarter 1992 are listed in this report.

The Savannah River Site`s Groundwater Monitoring Program. Second quarter, 1991

Energy Technology Data Exchange (ETDEWEB)

1992-01-10

The Environmental Protection Department/Environmental Monitoring Section (EPD/EMS) administers the Savannah River Site`s (SRS) Groundwater Monitoring Program. During second quarter 1991 EPD/EMS conducted extensive sampling of monitoring wells. EPD/EMS established two sets of flagging criteria in 1986 to assist in the management of sample results. The flagging criteria do not define contamination levels; instead, they aid personnel in sample scheduling, interpretation of data, and trend identification. Beginning in 1991, the flagging criteria are based on EPA drinking water standards and method detection limits. A detailed explanation of the current flagging criteria is presented in the Flagging Criteria section of this document. Analytical results from second quarter 1991 are listed in this report.

Three-dimensional dynamic rupture simulation with a high-order discontinuous Galerkin method on unstructured tetrahedral meshes

KAUST Repository

Pelties, Christian

2012-02-18

Accurate and efficient numerical methods to simulate dynamic earthquake rupture and wave propagation in complex media and complex fault geometries are needed to address fundamental questions in earthquake dynamics, to integrate seismic and geodetic data into emerging approaches for dynamic source inversion, and to generate realistic physics-based earthquake scenarios for hazard assessment. Modeling of spontaneous earthquake rupture and seismic wave propagation by a high-order discontinuous Galerkin (DG) method combined with an arbitrarily high-order derivatives (ADER) time integration method was introduced in two dimensions by de la Puente et al. (2009). The ADER-DG method enables high accuracy in space and time and discretization by unstructured meshes. Here we extend this method to three-dimensional dynamic rupture problems. The high geometrical flexibility provided by the usage of tetrahedral elements and the lack of spurious mesh reflections in the ADER-DG method allows the refinement of the mesh close to the fault to model the rupture dynamics adequately while concentrating computational resources only where needed. Moreover, ADER-DG does not generate spurious high-frequency perturbations on the fault and hence does not require artificial Kelvin-Voigt damping. We verify our three-dimensional implementation by comparing results of the SCEC TPV3 test problem with two well-established numerical methods, finite differences, and spectral boundary integral. Furthermore, a convergence study is presented to demonstrate the systematic consistency of the method. To illustrate the capabilities of the high-order accurate ADER-DG scheme on unstructured meshes, we simulate an earthquake scenario, inspired by the 1992 Landers earthquake, that includes curved faults, fault branches, and surface topography. Copyright 2012 by the American Geophysical Union.

Site scientific mission plan for the Southern Great Plains CART site: July--December 1997

Energy Technology Data Exchange (ETDEWEB)

Peppler, R.A.; Lamb, P.J. [Univ. of Oklahoma, Norman, OK (United States). Cooperative Inst. for Mesoscale Meteorological Studies; Sisterson, D.L. [Argonne National Lab., IL (United States). Environmental Research Div.

1997-07-01

The Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site is designed to help satisfy the data needs of the Atmospheric Radiation Measurement (ARM) Program Science Team. This document defines the scientific priorities for site activities during the six months beginning on July 1, 1997, and looks forward in lesser detail to subsequent six-month periods. The primary purpose of this Site Scientific Mission Plan is to provide guidance for the development of plans for site operations. It also provides information on current plans to the ARM functional teams and serves to disseminate the plans more generally within the ARM Program and among the members of the Science Team. This document includes a description of the operational status of the site and the primary site activities envisioned, together with information concerning approved and proposed intensive observation periods (IOPs). This plan is a living document that is updated and reissued every six months as the observational facilities are developed, tested, and augmented and as priorities are adjusted in response to developments in scientific planning and understanding.

Site observational work plan for the UMTRA Project Site at Grand Junction, Colorado

International Nuclear Information System (INIS)

1996-03-01

The U.S. Department of Energy (DOE) has prepared this initial site observational work plan (SOWP) for the Uranium Mill Tailings Remedial Action (UMTRA) Project site in Grand Junction, Colorado. This SOWP is one of the first UMTRA Ground Water Project documents developed to select a compliance strategy that meets the UMTRA ground water standards (40 CFR Part 192, as amended by 60 FR 2854) for the Grand Junction site. This SOWP applies information about the Grand Junction site to the compliance strategy selection framework developed in the UMTRA Ground Water Project draft programmatic environmental impact statement (PEIS). This risk-based, decision-making framework identifies the decision logic for selecting compliance strategies that could be used to meet the ground water standards. The DOE goal is to use the observational method to implement a cost-effective site strategy that complies with the ground water standards and protects human health and the environment. Based on an evaluation of the site characterization and risk assessment data available for the preparation of this SOWP, DOE proposes that the most likely compliance strategy for the Grand Junction site is no remediation based on the application of supplemental standards. This proposed strategy is based on a conceptual site model that indicates site-related contamination is confined to a limited-use aquifer as defined in the ground water standards

Evaluation of a committed fusion site. Final report

International Nuclear Information System (INIS)

1979-07-01

This report is divided into five technical sections. Section 2 is a summary. In Section 3, which covers device and site analyses the major characteristics of devices that might be placed at the site, as envisioned by major fusion laboratories, are described; the characteristics of a site (baseline site) which would accommodate these devices are defined; and various approaches to a committed site meeting the baseline site requirements are discussed. Section 4 describes the scenarios selected to represent possible site development outcomes; these scenarios are evaluated with respect to comparative cost and schedule effects. Section 5 presents a brief evaluation of the effects fusion-fission hybrids might have on the committed site. Major conclusions and recommendations are discussed in Section 6

High pressure and high temperature EXAFS and diffraction study of AgI

International Nuclear Information System (INIS)

Yoshiasa, Akira; Arima, Hiroshi; Fukui, Hiroshi; Okube, Maki; Katayama, Yoshinori; Ohtaka, Osamu

2009-01-01

We have determined the precise P-T phase diagram of AgI by in-situ high-pressure high-temperature synchrotron experiments. X-ray diffraction and XAFS measurements were performed up to 6.0 GPa and 1100 K using a multi-anvil high-pressure device and synchrotron radiation from SPring-8. In the disordered rock-salt phase, Ag ions occupy both octahedral and tetrahedral sites and twenty percent of Ag ions occupy the tetrahedral site as a maximum value at 2 GPa. From the viewpoint of the local structure analyses, some sudden changes are recognized near broad phase transition point. Analysis of EXAFS Debye-Waller factor is useful because the force constant can be decided directly even at high pressure and high temperature. Pressure influences greatly the effective potential and anharmonicity decreases with increasing pressure. (author)

Myth and Reality in Hydrogeological Site Characterization at DD and R Sites

International Nuclear Information System (INIS)

Rubin, Yoram

2008-01-01

The science of hydrogeological site characterization has made significant progress over the last twenty years. Progress has been made in modeling of flow and transport in the heterogeneous subsurface, in understanding of the complex patterns of geological heterogeneity and in measurement technologies. Modeling of uncertainty has also advanced significantly, in recognition of the inherent limitations of subsurface characterization. Much less progress has been made in transforming this progress into practice, where characterization is determined to a large extent by regulations. Environmental regulations have not progressed as much as the science, for example, in recognizing uncertainty. As such, practitioners are less inclined to adopt advanced, science-based solutions, this opening the door for myths and conflicts. Myths develop where the science base is perceived to be weak, whereas conflicts arise in the face of a disconnect between the science and the regulations. Myths translate to ad-hoc solutions and misplaced empiricism, as well as to unjustified reliance on field experience, to the detriment of D and DR. This paper explores the roots for this situation and identifies ideas that may help in bridging the gap between research and applications. A rational approach for DD and R is needed that will encourage innovation in site characterization, reduce costs and accelerate completion. Such an approach needs to include several elements. DD and R regulations need to recognize the various aspects of uncertainty inherent to site characterization, and as such, should be formulated using probabilistic concepts. One of the immediate benefits will be in allowing a gradual approach for data acquisition in DD and R sites: decisions can be made even under the most severe data limitations, and can be modified as additional data become available. The definition of risk is another major element. There is no universal definition of risk or of a methodology to define risk

"Dermatitis" defined.

Science.gov (United States)

Smith, Suzanne M; Nedorost, Susan T

2010-01-01

The term "dermatitis" can be defined narrowly or broadly, clinically or histologically. A common and costly condition, dermatitis is underresourced compared to other chronic skin conditions. The lack of a collectively understood definition of dermatitis and its subcategories could be the primary barrier. To investigate how dermatologists define the term "dermatitis" and determine if a consensus on the definition of this term and other related terms exists. A seven-question survey of dermatologists nationwide was conducted. Of respondents (n  =  122), half consider dermatitis to be any inflammation of the skin. Nearly half (47.5%) use the term interchangeably with "eczema." Virtually all (> 96%) endorse the subcategory "atopic" under the terms "dermatitis" and "eczema," but the subcategories "contact," "drug hypersensitivity," and "occupational" are more highly endorsed under the term "dermatitis" than under the term "eczema." Over half (55.7%) personally consider "dermatitis" to have a broad meaning, and even more (62.3%) believe that dermatologists as a whole define the term broadly. There is a lack of consensus among experts in defining dermatitis, eczema, and their related subcategories.

Sequence context effects on 8-methoxypsoralen photobinding to defined DNA fragments

International Nuclear Information System (INIS)

Sage, E.; Moustacchi, E.

1987-01-01

The photoreaction of 8-methoxypsoralen (8-MOP) with DNA fragments of defined sequence was studied. The authors took advantage of the blockage by bulky adducts of the 3'-5'-exonuclease activity associated with the T4 DNA polymerase. The action of the exonuclease is stopped by biadducts as well as by monoadducts. The termination products were analyzed on sequencing gels. A strong sequence specificity was observed in the DNA photobinding of 8-MOP. The exonuclease terminates its digestion near thymine residues, mainly at potentially cross-linkable sites. There is an increasing reactivity of thymine residues in the order T < TT << TTT in a GC environment. For thymine residues in cross-linkable sites, the reactivity follows the order AT << TA ∼ TAT << ATA < ATAT < ATATAA. Repeated A-T sequences are hot spots for the photochemical reaction of 8-MOP with DNA. Both monoadducts and interstrand cross-links are formed preferentially in 5'-TpA sites. The results highlight the role of the sequence and consequently of the conformation around a potential site in the photobinding of 8-MOP to DNA

Defining reference conditions for acidified waters using a modern analogue approach

International Nuclear Information System (INIS)

Simpson, Gavin L.; Shilland, Ewan M.; Winterbottom, Julie M.; Keay, Janey

2005-01-01

Analogue matching is a palaeolimnological technique that aims to find matches for fossil sediment samples from a set of modern surface sediment samples. Modern analogues were identified that closely matched the pre-disturbance conditions of eight of the UK Acid Waters Monitoring Network (AWMN) lakes using diatom- and cladoceran-based analogue matching. These analogue sites were assessed in terms of hydrochemistry, aquatic macrophytes and macro-invertebrates as to their suitability for defining wider hydrochemical and biological reference conditions for acidified sites within the AWMN. The analogues identified for individual AWMN sites show a close degree of similarity in terms of their hydrochemical characteristics, aquatic macrophytes and, to a lesser extent, macro-invertebrate fauna. The reference conditions of acidified AWMN sites are inferred to be less acidic than today and to support a wider range of acid-sensitive aquatic macrophyte and macro-invertebrate taxa than that recorded in the AWMN lakes over the period of monitoring since 1988. - The use of a palaeolimnological technique to identify modern ecological reference analogues for acidified lakes is demonstrated

Surgical site infection rates following laparoscopic urological procedures.

Science.gov (United States)

George, Arvin K; Srinivasan, Arun K; Cho, Jane; Sadek, Mostafa A; Kavoussi, Louis R

2011-04-01

Surgical site infections have been categorized by the Centers for Medicare and Medicaid Services as "never events". The incidence of surgical site infection following laparoscopic urological surgery and its risk factors are poorly defined. We evaluated surgical site infection following urological laparoscopic surgery and identified possible factors that may influence occurrence. Patients who underwent transperitoneal laparoscopic procedures during a 4-year period by a single laparoscopic surgeon were retrospectively reviewed. Surgical site infections were identified postoperatively and defined using the Centers for Disease Control criteria. Clinical parameters, comorbidities, smoking history, preoperative urinalysis and culture results as well as operative data were analyzed. Nonparametric testing using the Mann-Whitney U test, multivariable logistic regression and Spearman's rank correlation coefficient were used for data analysis. In 556 patients undergoing urological laparoscopic procedures 14 surgical site infections (2.5%) were identified at mean postoperative day 21.5. Of the 14 surgical site infections 10 (71.4%) were located at a specimen extraction site. Operative time, procedure type and increasing body mass index were significantly associated with the occurrence of surgical site infections (p = 0.007, p = 0.019, p = 0.038, respectively), whereas history of diabetes mellitus (p = 0.071) and intraoperative transfusion (p = 0.053) were found to trend toward significance. Age, gender, positive urine culture, steroid use, procedure type and smoking history were not significantly associated with surgical site infection. Body mass index and operative time remained significant predictors of surgical site infection on multivariate logistic regression analysis. Surgical site infection is an infrequent complication following laparoscopic surgery with the majority occurring at the specimen extraction site. Infection is associated with prolonged operative time and

UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation

KAUST Repository

Luo, Feng

2016-04-26

A new metal-organic framework Zn2(H2O)-(dobdc)·0.5(H2O) (UTSA-74, H4dobdc = 2,5-dioxido-1,4-benzenedicarboxylic acid), Zn-MOF-74/CPO-27-Zn isomer, has been synthesized and structurally characterized. It has a novel four coordinated fgl topology with one-dimensional channels of about 8.0 Å. Unlike metal sites in the wellestablished MOF-74 with a rod-packing structure in which each of them is in a five coordinate square pyramidal coordination geometry, there are two different Zn2+ sites within the binuclear secondary building units in UTSA-74 in which one of them (Zn1) is in a tetrahedral while another (Zn2) in an octahedral coordination geometry. After activation, the two axial water molecules on Zn2 sites can be removed, generating UTSA-74a with two accessible gas binding sites per Zn2 ion. Accordingly, UTSA-74a takes up a moderately high and comparable amount of acetylene (145 cm3/cm3) to Zn-MOF-74. Interestingly, the accessible Zn2+ sites in UTSA-74a are bridged by carbon dioxide molecules instead of being terminally bound in Zn-MOF-74, so UTSA-74a adsorbs a much smaller amount of carbon dioxide (90 cm3/cm3) than Zn-MOF-74 (146 cm3/cm3) at room temperature and 1 bar, leading to a superior MOF material for highly selective C2H2/CO2 separation. X-ray crystal structures, gas sorption isotherms, molecular modeling, and simulated and experimental breakthroughs comprehensively support this result. © 2016 American Chemical Society.

Selective constraints in experimentally defined primate regulatory regions.

Directory of Open Access Journals (Sweden)

Daniel J Gaffney

2008-08-01

Full Text Available Changes in gene regulation may be important in evolution. However, the evolutionary properties of regulatory mutations are currently poorly understood. This is partly the result of an incomplete annotation of functional regulatory DNA in many species. For example, transcription factor binding sites (TFBSs, a major component of eukaryotic regulatory architecture, are typically short, degenerate, and therefore difficult to differentiate from randomly occurring, nonfunctional sequences. Furthermore, although sites such as TFBSs can be computationally predicted using evolutionary conservation as a criterion, estimates of the true level of selective constraint (defined as the fraction of strongly deleterious mutations occurring at a locus in regulatory regions will, by definition, be upwardly biased in datasets that are a priori evolutionarily conserved. Here we investigate the fitness effects of regulatory mutations using two complementary datasets of human TFBSs that are likely to be relatively free of ascertainment bias with respect to evolutionary conservation but, importantly, are supported by experimental data. The first is a collection of almost >2,100 human TFBSs drawn from the literature in the TRANSFAC database, and the second is derived from several recent high-throughput chromatin immunoprecipitation coupled with genomic microarray (ChIP-chip analyses. We also define a set of putative cis-regulatory modules (pCRMs by spatially clustering multiple TFBSs that regulate the same gene. We find that a relatively high proportion ( approximately 37% of mutations at TFBSs are strongly deleterious, similar to that at a 2-fold degenerate protein-coding site. However, constraint is significantly reduced in human and chimpanzee pCRMS and ChIP-chip sequences, relative to macaques. We estimate that the fraction of regulatory mutations that have been driven to fixation by positive selection in humans is not significantly different from zero. We also find

The Savannah River Site`s groundwater monitoring program. Third quarter 1990

Energy Technology Data Exchange (ETDEWEB)

1991-05-06

The Environmental Protection Department/Environmental Monitoring Section (EPD/EMS) administers the Savannah River Site`s (SRS) Groundwater Monitoring Program. During third quarter 1990 (July through September) EPD/EMS conducted routine sampling of monitoring wells and drinking water locations. EPD/EMS established two sets of flagging criteria in 1986 to assist in the management of sample results. The flagging criteria do not define contamination levels; instead they aid personnel in sample scheduling, interpretation of data, and trend identification. The flagging criteria are based on detection limits, background levels in SRS groundwater, and drinking water standards. All analytical results from third quarter 1990 are listed in this report, which is distributed to all site custodians. One or more analytes exceeded Flag 2 in 87 monitoring well series. Analytes exceeded Flat 2 for the first since 1984 in 14 monitoring well series. In addition to groundwater monitoring, EPD/EMS collected drinking water samples from SRS drinking water systems supplied by wells. The drinking water samples were analyzed for radioactive constituents.

Current Practices in Defining Seismic Input for Nuclear Facilities

International Nuclear Information System (INIS)

2015-05-01

This report has been written in the framework of seismic subgroup of the OECD/NEA CSNI Working Group on Integrity and Ageing of Components and Structures (WGIAGE) to provide a brief review of current practices regarding the definition of the seismic input for design and reevaluation of nuclear power plants. It is taken for granted that, prior to conducting the seismic design of a nuclear facility, a seismic hazard analysis (SHA) has been conducted for the site where the facility is located. This provides some reference motions for defining those that will later be used as input for the dynamic analyses of the facility. The objective of the report is to clarify the current practices in various OECD Member States for defining the seismic input to be used in the dynamic calculations of NPPs, once the SHA results are already at hand. Current practices have been summarized for Canada, Czech Republic, Finland, France, Germany, Japan, Slovenia, South Korea, Spain, Sweden, The Netherlands, United Kingdom and United States. The main findings of the report are: a) The approaches followed by the regulatory bodies of OECD Member States differ substantially, certainly in relation with the consideration of site effects, but also in the probability level of the event that a nuclear facility should be required to withstand. b) In many countries a probabilistic approach is adopted for the design, in some cases combined with a deterministic one; in other cases, like France, Japan or South Korea, a deterministic approach is followed. c) The US and Japan have the more complete guidelines in relation with site effects. The former provide specific approaches for definition of the seismic input. The latter clearly recognizes the need to propagate the bedrock motion to foundation level, thereby introducing the site effect in some way. d) The definition of bedrock is very heterogeneous in the various countries, although this should not constitute a serious problem if the starting

Methodological guide: management of industrial sites potentially contaminated by radioactive substances; Guide methodologique: gestion des sites industriels potentiellement contamines par des substances radioactives

Energy Technology Data Exchange (ETDEWEB)

NONE

2001-07-01

At the request of the Ministries of Health and the Environment, IPSN is preparing and publishing the first version of the methodological guide devoted to managing industrial sites potentially contaminated by radioactive substances. This guide describes a procedure for defining and choosing strategies for rehabilitating such industrial sites. (author)

Cation distribution in Ni–Cu–Zn nanoferrites from {sup 57}Fe in-field Mössbauer spectra

Energy Technology Data Exchange (ETDEWEB)

Prameela, P. [Department of Physics, GITAM University, Visakhapatnam 530045 (India); Kumar, A. Mahesh, E-mail: drmaheshnano@gmail.com [Department of Physics, RGUKT, IIIT, Nuzvid 521201 (India); Choudary, G.S.V.R.K. [Department of Physics, BVB Vivekanada College, Sainikpuri, Secunderabad 500094 (India); Rao, K.H. [Department of Physics, RGUKT, IIIT, Nuzvid 521201 (India); Reddy, V.R. [UGC-DAE-CSR, Indore 452001 (India)

2014-11-15

Highlights: • Occupancy of copper ions at about 20% towards tetrahedral sites. • Distribution is proposed on the basis of % of Fe ions at both A and B sites. • Distribution is checked by estimating the theoretical lattice constant values. - Abstract: The nanoparticles of Ni{sub 1−x}Cu{sub x}Zn{sub 0.35}Fe{sub 2}O{sub 4} were synthesized by sol–gel method using polyvinyl alcohol as a chelating agent. X-ray diffraction patterns of all the samples confirmed the single phase spinel structure. The site occupancy of copper in the nanosized nickel–zinc ferrite spinels was investigated with the help of in-field Mössbauer spectroscopy. Cation distribution for the whole series of compositions was proposed by considering the amounts of iron ions present at both tetrahedral and octahedral interstitial sites in the spinel lattice. Confirmation of the proposed distributions was done by estimating quantitatively the lattice parameters for these compositions and comparing their values with those of the experimentally observed ones.

Nuclear site selection studies

International Nuclear Information System (INIS)

Gharib, A.; Zohoorian Izadpanah, A.A.; Iranmanesh, H.

2000-01-01

It is of special importance, especially from the nuclear safety viewpoint, to select suitable sites for different nuclear structures with the considered future activities. Site selection sometimes involves high costs not necessarily for merely selecting of site but for some preliminary measures to be taken so as the site may have the necessary characteristics. The more suitable the natural characteristics of the site for the considered project, the more successful and efficient the project, the lower the project costs and the longer the project operation period. If so, the project will cause the growth of public culture and sustainable socioeconomic development. This paper is the result of the conclusion of numerous massive reports of this activity in the preliminary phase based on theories, practices and the related safety principles on this ground as well as the application of data and information of the past and a glance to the future. The conception of need for a site for medium structures and nuclear research projects and how to perform this process are presented step by step here with a scientific approach to its selection during the investigations. In this study, it is practically described how the site is selected, by determining and defining the characteristics of research and nuclear projects with medium structures and also its fitting to the optimum site. The discovered sites typically involve the best advantages in technical and economic aspects and no particular contrast with the concerned structures

Site evaluation for nuclear installations. Safety requirements

International Nuclear Information System (INIS)

2003-01-01

This Safety Requirements publication supersedes the Code on the Safety of Nuclear Power Plants: Siting, which was issued in 1988 as Safety Series No. 50-C-S (Rev. 1). It takes account of developments relating to site evaluations for nuclear installations since the Code on Siting was last revised. These developments include the issuing of the Safety Fundamentals publication on The Safety of Nuclear Installations, and the revision of various safety standards and other publications relating to safety. Requirements for site evaluation are intended to ensure adequate protection of site personnel, the public and the environment from the effects of ionizing radiation arising from nuclear installations. It is recognized that there are steady advances in technology and scientific knowledge, in nuclear safety and in what is considered adequate protection. Safety requirements change with these advances and this publication reflects the present consensus among States. This Safety Requirements publication was prepared under the IAEA programme on safety standards for nuclear installations. It establishes requirements and provides criteria for ensuring safety in site evaluation for nuclear installations. The Safety Guides on site evaluation listed in the references provide recommendations on how to meet the requirements established in this Safety Requirements publication. The objective of this publication is to establish the requirements for the elements of a site evaluation for a nuclear installation so as to characterize fully the site specific conditions pertinent to the safety of a nuclear installation. The purpose is to establish requirements for criteria, to be applied as appropriate to site and site-installation interaction in operational states and accident conditions, including those that could lead to emergency measures for: (a) Defining the extent of information on a proposed site to be presented by the applicant; (b) Evaluating a proposed site to ensure that the site

Toward a regional power plant siting method: AEC-Maryland regional siting factors study, FY 1974 progress report

International Nuclear Information System (INIS)

Yaffee, S.L.; Miller, C.A.

1974-11-01

The ''AEC-Maryland Regional Siting Factors Study'' examines the process of siting in a regional context. It is developing an analysis method to delineate candidate areas for siting of several power plant technology packages, including both fossil-fueled and nuclear options. Tools that are being used include simulation modeling, economic and demographic forecasting, spatial analysis, and computer graphics and numerical manipulation. The approach will describe the trade-offs incurred if a power plant is located in one candidate area rather than in another. In FY 1974, a suitability analysis method was developed which uses engineering and environmental parameters to define a level of environmental cost incurred if a segment of land is used to site a specific technology package. (U.S.)

Pre-1970 transuranic solid waste at the Hanford Site

International Nuclear Information System (INIS)

Greenhalgh, W.O.

1995-01-01

The document is based on a search of pre-1970 Hanford Solid Waste Records. The available data indicates seven out of thirty-one solid waste burial sites used for pre-1970 waste appear to be Transuranic (TRU). A burial site defined to be TRU contains >100 nCi/gm Transuranic nuclides

Demographic characteristics of nuclear installations sites

International Nuclear Information System (INIS)

Doumenc, A.; Faure, J.

1988-01-01

The selection of a nuclear installations sites can not be conceived without a deep analysis of demographic context. This analysis permits to define the critical populations around the installation and is an essential element of emergency plans. 1 tab., 2 refs. (F.M.)

Muonium hyperfine parameters in Si1-x Ge x alloys

International Nuclear Information System (INIS)

King, Philip; Lichti, Roger; Cottrell, Stephen; Yonenaga, Ichiro

2006-01-01

We present studies of muonium behaviour in bulk, Czochralski-grown Si 1- x Ge x alloy material, focusing in particular on the hyperfine parameter of the tetrahedral muonium species. In contrast to the bond-centred species, the hyperfine parameter of the tetrahedral-site muonium centre (Mu T ) appears to vary non-linearly with alloy composition. The temperature dependence of the Mu T hyperfine parameter observed in low-Ge alloy material is compared with that seen in pure Si, and previous models of the Mu T behaviour in Si are discussed in the light of results from Si 1- x Ge x alloys

Site scientific mission plan for the Southern Great Plains CART Site, January--June 1999

Energy Technology Data Exchange (ETDEWEB)

Peppler, R.A.; Sisterson, D.L.; Lamb, P.

1999-03-10

The Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site was designed to help satisfy the data needs of the Atmospheric Radiation Measurement (ARM) Program Science Team. This Site Scientific Mission Plan defines the scientific priorities for site activities during the six months beginning on January 1, 1999, and looks forward in lesser detail to subsequent six-month periods. The primary purpose of this document is to provide scientific guidance for the development of plans for site operations. It also provides information on current plans to the ARM functional teams (Management Team, Data and Science Integration Team [DSIT], Operations Team, and Instrument Team [IT]) and serves to disseminate the plans more generally within the ARM Program and among the members of the Science Team. This document includes a description of the operational status of the site and the primary site activities envisioned, together with information concerning approved and proposed intensive observation periods (IOPs). The primary users of this document are the site operator, the site program manager, the Site Scientist Team (SST), the Science Team through the ARM Program science director, the ARM Program Experiment Center, and the aforementioned ARM Program functional teams. This plan is a living document that is updated and reissued every six months as the observational facilities are developed, tested, and augmented and as priorities are adjusted in response to developments in scientific planning and understanding.

Site scientific mission plan for the Southern Great Plains CART site: July--December 1998

Energy Technology Data Exchange (ETDEWEB)

Peppler, R.A.; Lamb, P. [Univ. of Oklahoma, Norman, OK (United States). Cooperative Inst. for Mesoscale Meteorological Studies; Sisterson, D.L. [Argonne National Lab., IL (United States). Environmental Research Div.

1998-07-01

The Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site was designed to help satisfy the data needs of the Atmospheric Radiation Measurement (ARM) Program Science Team. This Site Scientific Mission Plan defines the scientific priorities for site activities during the six months beginning on July 1, 1998, and looks forward in lesser detail to subsequent six-month periods. The primary purpose of this document is to provide scientific guidance for the development of plans for site operations. It also provides information on current plans to the ARM functional teams (Management Team, Data and Science Integration Team [DSIT], Operations Team, and Instrument Team [IT]) and serves to disseminate the plans more generally within the ARM Program and among the members of the Science Team. This document includes a description of the operational status of the site and the primary site activities envisioned, together with information concerning approved and proposed intensive observation periods (IOPs). The primary users of this document are the site operator, the site program manager, the Site Scientist Team (SST), the Science Team through the ARM Program science director, the ARM program Experiment Center, and the aforementioned ARM Program functional teams. This plan is a living document that is updated and reissued every six months as the observational facilities are developed, tested, and augmented and as priorities are adjusted in response to developments in scientific planning and understanding.

Environmental plutonium levels near the Nevada Test Site

International Nuclear Information System (INIS)

Bliss, W.A.; Jakubowski, F.M.

1977-01-01

The Environmental Monitoring and Support Laboratory-Las Vegas is engaged in a study to define the distribution of plutonium in the environment surrounding the Nevada Test Site (NTS). Extensive soil sampling has been conducted around the NTS, both to define areal distribution and to investigate local concentrating effects by natural phenomena. Additionally, air filters used in the off-NTS air surveillance network as well as those collected in special studies have been analyzed for plutonium to better define ambient levels and to investigate the possibility of resuspension. Results of these, as well as other studies related to defining the ambient plutonium levels around the NTS, are given in this report

Nature and structure of aluminum surface sites grafted on silica from a combination of high-field aluminum-27 solid-state NMR spectroscopy and first-principles calculations

KAUST Repository

Kerber, Rachel Nathaniel; Kermagoret, Anthony; Callens, Emmanuel; Florian, Pierre A.; Massiot, Dominique; Lesage, Anne; Copé ret, Christophe; Delbecq, Franç oise; Rozanska, Xavier; Sautet, Philippe

2012-01-01

The determination of the nature and structure of surface sites after chemical modification of large surface area oxides such as silica is a key point for many applications and challenging from a spectroscopic point of view. This has been, for instance, a long-standing problem for silica reacted with alkylaluminum compounds, a system typically studied as a model for a supported methylaluminoxane and aluminum cocatalyst. While 27Al solid-state NMR spectroscopy would be a method of choice, it has been difficult to apply this technique because of large quadrupolar broadenings. Here, from a combined use of the highest stable field NMR instruments (17.6, 20.0, and 23.5 T) and ultrafast magic angle spinning (>60 kHz), high-quality spectra were obtained, allowing isotropic chemical shifts, quadrupolar couplings, and asymmetric parameters to be extracted. Combined with first-principles calculations, these NMR signatures were then assigned to actual structures of surface aluminum sites. For silica (here SBA-15) reacted with triethylaluminum, the surface sites are in fact mainly dinuclear Al species, grafted on the silica surface via either two terminal or two bridging siloxy ligands. Tetrahedral sites, resulting from the incorporation of Al inside the silica matrix, are also seen as minor species. No evidence for putative tri-coordinated Al atoms has been found. © 2012 American Chemical Society.

Nature and structure of aluminum surface sites grafted on silica from a combination of high-field aluminum-27 solid-state NMR spectroscopy and first-principles calculations

KAUST Repository

Kerber, Rachel Nathaniel

2012-04-18

The determination of the nature and structure of surface sites after chemical modification of large surface area oxides such as silica is a key point for many applications and challenging from a spectroscopic point of view. This has been, for instance, a long-standing problem for silica reacted with alkylaluminum compounds, a system typically studied as a model for a supported methylaluminoxane and aluminum cocatalyst. While 27Al solid-state NMR spectroscopy would be a method of choice, it has been difficult to apply this technique because of large quadrupolar broadenings. Here, from a combined use of the highest stable field NMR instruments (17.6, 20.0, and 23.5 T) and ultrafast magic angle spinning (>60 kHz), high-quality spectra were obtained, allowing isotropic chemical shifts, quadrupolar couplings, and asymmetric parameters to be extracted. Combined with first-principles calculations, these NMR signatures were then assigned to actual structures of surface aluminum sites. For silica (here SBA-15) reacted with triethylaluminum, the surface sites are in fact mainly dinuclear Al species, grafted on the silica surface via either two terminal or two bridging siloxy ligands. Tetrahedral sites, resulting from the incorporation of Al inside the silica matrix, are also seen as minor species. No evidence for putative tri-coordinated Al atoms has been found. © 2012 American Chemical Society.

3-D minimum-structure inversion of magnetotelluric data using the finite-element method and tetrahedral grids

Science.gov (United States)

Jahandari, H.; Farquharson, C. G.

2017-11-01

Unstructured grids enable representing arbitrary structures more accurately and with fewer cells compared to regular structured grids. These grids also allow more efficient refinements compared to rectilinear meshes. In this study, tetrahedral grids are used for the inversion of magnetotelluric (MT) data, which allows for the direct inclusion of topography in the model, for constraining an inversion using a wireframe-based geological model and for local refinement at the observation stations. A minimum-structure method with an iterative model-space Gauss-Newton algorithm for optimization is used. An iterative solver is employed for solving the normal system of equations at each Gauss-Newton step and the sensitivity matrix-vector products that are required by this solver are calculated using pseudo-forward problems. This method alleviates the need to explicitly form the Hessian or Jacobian matrices which significantly reduces the required computation memory. Forward problems are formulated using an edge-based finite-element approach and a sparse direct solver is used for the solutions. This solver allows saving and re-using the factorization of matrices for similar pseudo-forward problems within a Gauss-Newton iteration which greatly minimizes the computation time. Two examples are presented to show the capability of the algorithm: the first example uses a benchmark model while the second example represents a realistic geological setting with topography and a sulphide deposit. The data that are inverted are the full-tensor impedance and the magnetic transfer function vector. The inversions sufficiently recovered the models and reproduced the data, which shows the effectiveness of unstructured grids for complex and realistic MT inversion scenarios. The first example is also used to demonstrate the computational efficiency of the presented model-space method by comparison with its data-space counterpart.

Sellafield Site (including Drigg) emergency scheme manual

International Nuclear Information System (INIS)

1987-02-01

This Scheme defines the organisation and procedures available should there be an accident at the Sellafield Site which results in, or may result in, the release of radioactive material, or the generation of a high radiation field, which might present a hazard to employees and/or the general public. Several categories of emergencies on the Sellafield Site are mentioned; a building emergency which is confined to one building, a Site emergency standby when the effects of a building emergency go outside that building, a Site emergency alert (District Emergency Standby) when a release of activity affects Site operations and could have serious Site effects and a District Emergency Alert when a radioactivity release may interfere with the normal activity of the General Public. A Drigg Emergency Standby situation would operate similarly at the Drigg Site. The detailed arrangements and responsibilities of appointed personnel are set out in this manual. (UK)

Characterization of lithium coordination sites with magic-angle spinning NMR

Science.gov (United States)

Haimovich, A.; Goldbourt, A.

2015-05-01

Lithium, in the form of lithium carbonate, is one of the most common drugs for bipolar disorder. Lithium is also considered to have an effect on many other cellular processes hence it possesses additional therapeutic as well as side effects. In order to quantitatively characterize the binding mode of lithium, it is required to identify the interacting species and measure their distances from the metal center. Here we use magic-angle spinning (MAS) solid-state NMR to study the binding site of lithium in complex with glycine and water (LiGlyW). Such a compound is a good enzyme mimetic since lithium is four-coordinated to one water molecule and three carboxylic groups. Distance measurements to carbons are performed using a 2D transferred echo double resonance (TEDOR) MAS solid-state NMR experiment, and water binding is probed by heteronuclear high-resolution proton-lithium and proton-carbon correlation (wPMLG-HETCOR) experiments. Both HETCOR experiments separate the main complex from impurities and non-specifically bound lithium species, demonstrating the sensitivity of the method to probe the species in the binding site. Optimizations of the TEDOR pulse scheme in the case of a quadrupolar nucleus with a small quadrupole coupling constant show that it is most efficient when pulses are positioned on the spin-1/2 (carbon-13) nucleus. Since the intensity of the TEDOR signal is not normalized, careful data analysis that considers both intensity and dipolar oscillations has to be performed. Nevertheless we show that accurate distances can be extracted for both carbons of the bound glycine and that these distances are consistent with the X-ray data and with lithium in a tetrahedral environment. The lithium environment in the complex is very similar to the binding site in inositol monophosphatase, an enzyme associated with bipolar disorder and the putative target for lithium therapy. A 2D TEDOR experiment applied to the bacterial SuhB gene product of this enzyme was designed

Intruder scenarios for site-specific waste classification

International Nuclear Information System (INIS)

Kennedy, W.E. Jr.

1988-01-01

The US Department of Energy (DOE) is currently revising its low-level radioactive waste (LLW) management requirements and guidelines for waste generated at its facilities that support defense missions. Specifically, draft DOE 5820.2A, Chapter 3, describes the purpose, policy, and requirements necessary for the management of defense LLW. The draft DOE policy calls for DOE LLW operations to be managed to protect the health and safety of the public, preserve the environment, and ensure that no remedial action will be necessary after termination of operations. The requirements and guidelines apply to radioactive wastes but are also intended to apply to mixed hazardous and radioactive wastes as defined in draft DOE 5400.5, Hazardous and Radioactive Mixed Waste. The basic approach used by DOE is to establish overall performance objectives in terms of ground-water protection and public radiation dose limits and to require site-specific performance assessments to determine compliance. As a result of these performance assessments, each site shall develop waste acceptance criteria that define the allowable quantities and concentrations of specific radioisotopes. Additional limitations on waste disposal design, waste form, and waste treatment shall also be developed on a site-specific basis. As a key step in the site-specific performance assessments, an evaluation must be conducted of potential radiation doses to intruders who may inadvertently move onto a closed DOE LLW disposal site after loss of institutional controls must be conducted. This paper describes the types of intruder scenarios that should be considered when performing this step of the site-specific performance assessment

Determination of transition metal ion distribution in cubic spinel Co1.5Fe1.5O4 using anomalous x-ray diffraction

Directory of Open Access Journals (Sweden)

M. N. Singh

2015-08-01

Full Text Available We report anomalous x-ray diffraction studies on Co ferrite with composition Co1.5Fe1.5O4 to obtain the distribution of transition metal ions in tetrahedral and octahedral sites. We synthesize spinel oxide (Co1.5Fe1.5O4 through co-precipitation and subsequent annealing route. The imaginary part (absorption of the energy dependent anomalous form factor is measured and the real part is calculated theoretically through Kramers–Krönig transformation to analyze anomalous x-ray diffraction peak intensities. Fe and Co K-edge x-ray absorption near edge structure (XANES spectra are used to estimate charge states of transition metals. Our analysis, within experimental errors, suggests 44% of the tetrahedral sites contain Co in +2 oxidation state and the rest 56% sites contain Fe in +2 and +3 oxidation states. Similarly, 47% of the octahedral sites contain Fe in +3 oxidation states, whereas, the rest of the sites contain Co in +2 and +3 oxidation states. While a distinct pre-edge feature in the Fe K-edge XANES is observed, Co pre-edge remains featureless. Implications of these results to magnetism are briefly discussed.

The site-characterization plan and its role in resolving siting and licensing issues

International Nuclear Information System (INIS)

Hanlon, C.L.

1986-01-01

As required by the Nuclear Waste Policy Act and the Nuclear Regulatory Commission (NRC) in 10 CFR Part 60, the Department of Energy is preparing plans for conducting site characterization at three candidate sites. Prepared according to a detailed annotated outline that is based on the NRC's Regulatory Guide 4.17, these plans will present the information collected to date about the geologic, hydrologic, geochemical, geoengineering, and climatic conditions of each site; describe the design of the repository and the waste package; and discuss the site-characterization program. The most important portions of the plan will be the strategy for resolving siting and licensing issues and the description of the testing and analysis program to be followed in resolving these issues. The issues-resolution strategy consists of identifying issues and the associated information needs; allocating performance goals for various components of the repository system; developing a testing plan to gather the necessary information; gathering and analyzing the information; and documenting the results for use in site selection and licensing. The issues-resolution strategy will allow the Department to define all of the issues that must be resolved in order to demonstrate compliance with applicable regulations and to specify the information needed to resolve these issues. It will provide a consistent framework and establish priorities for the Department's site-characterization effort for the next several years

Coordinated site characterization and performance assessment - an iterative approach for the site evaluation

International Nuclear Information System (INIS)

Papp, T.; Ericsson, L.O.; Thegerstroem, C.; Almen, K.E.

1995-01-01

SKB planning for siting a deep repository involves feasibility studies in 5-10 municipalities surface based characterization and drilling on two candidate sites and detailed characterization of one site including a shaft to proposed repository depth. The selection of a site or the detailed layout of the repository defines characteristics that might influence safety in a broad sense. There is a strong ling between the safety, technical (engineering) and functional aspects. The site selection will be based on general geoscientific information, i.e. mechanical stability, ground-water chemistry, slow ground-water movements and complicating factors like high potential for mineralization. The general layout of the repository in the actual geological structure of the site must be done with regard to a number of guidelines, e.g. to hydraulically separate the parts of the repository containing the spent nuclear fuel from those for other types of long lived waste and to separate the two stages of the spent fuel repository so they can be handled separately in the licensing process. When the various parts of the repository have been tentatively located the consequence of the multiple barrier principle is that the layout of the various parts should be made with the aim to utilize the available natural barrier system at the site as well as possible. (authors). 2 refs., 3 figs., 2 tabs

Defining a similarity threshold for a functional proteinsequence pattern: The signal peptide cleavage site

DEFF Research Database (Denmark)

Nielsen, Henrik; Engelbrecht, Jacob; von Heijne, Gunnar

1996-01-01

When preparing data sets of amino acid or nucleotide sequences it is necessary to exclude redundant or homologous sequences in order to avoid overestimating the predictive performance of an algorithm. For some time methods for doing this have been available in the area of protein structure...... prediction. We have developed a similar procedure based on pair-wise alignments for sequences with functional sites. We show how a correlation coefficient between sequence similarity and functional homology can be used to compare the efficiency of different similarity measures and choose a nonarbitrary...

Functional mimicry of a discontinuous antigenic site by a designed synthetic peptide

NARCIS (Netherlands)

Villen, J.; Borras, E.; Schaaper, W.M.M.; Meloen, R.H.; Davila, M.; Domingo, E.; Giralt, E.; Andreu, D.

2002-01-01

Functional reproduction of the discontinuous antigenic site D of foot-and-mouth disease virus (FMDV) has been achieved by means of synthetic peptide constructions that integrate each of the three protein loops that define the antigenic site into a single molecule. The site D mimics were designed on

EPR, mu-Raman and Crystallographic properties of spinel type ZnCr{sub 2}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Vargas-Hernandez, C; Almanza, O; Jurado, J F, E-mail: cvargash@unal.edu.c [Universidad Nacional de Colombia, Manizales-Colombia Laboratorio de Propiedades Opticas de Materiales-POM (Colombia)

2009-05-01

Structural, vibrational and electron paramagnetic resonance (EPR) analysis for compound ZnCr{sub 2}O{sub 4} are shown in this work. These types of materials are used in technological applications as humidity sensors and piezoelectric devices. The compound was obtained by mean of solid state reaction technique from binary precursors ZnO and Cr{sub 2}O{sub 3}. After three thermal treatments the sample structure was monitoring using X ray diffraction (XRD), the spinel cubic phase has been indexed within O{sup 7}{sub h}(Fd3m) spatial group. It is observed normal spinel phase. Micro-Raman analysis revealed bands for normal vibration modes of Zn and Cr atoms in tetrahedral and octahedral environments formed by oxygen atoms at approximately 400 and 900 cm{sup -1}, respectively. Bands around 941 cm{sup -1} are associated possibly to vacancies in the tetrahedral and octahedral sites due to interaction between Zn and Cr ions. EPR signal from 150 to 300 K isothermals indicates a transition between inverse spinel to normal spinel type in a central field around 3350 G. A signal at approximately 3400 G corresponding to the C'r{sup +3} in tetrahedral sites is observed near the central field.

Anion mediated polytype selectivity among the basic salts of Co(II)

Science.gov (United States)

Ramesh, T. N.; Rajamathi, Michael; Vishnu Kamath, P.

2006-08-01

Basic salts of Co(II) crystallize in the rhombohedral structure. Two different polytypes, 3R 1 and 3R 2, with distinct stacking sequences of the metal hydroxide slabs, are possible within the rhombohedral structure. These polytypes are generated by simple translation of successive layers by (2/3, 1/3, z) or (1/3, 2/3, z). The symmetry of the anion and the mode of coordination influences polytype selection. Cobalt hydroxynitrate crystallizes in the structure of the 3R 2 polytype while the hydroxytartarate, hydroxychloride and α-cobalt hydroxide crystallize in the structure of the 3R 1 polytype. Cobalt hydroxysulfate is turbostratically disordered. The turbostratic disorder is a direct consequence of the mismatch between the crystallographically defined interlayer sites generated within the crystal and the tetrahedral symmetry of the SO 42- ions.

Geological applications of synchrotron radiation

Science.gov (United States)

Henderson, C. M. B.; Cressey, G.; Redfern, S. A. T.

1995-03-01

Synchrotron-based, Earth sciences research carried out over the last 5 years is reviewed with special attention being given to X-ray absorption studies; X-ray diffraction and X-ray fluorescence microprobe applications are considered more briefly. A comprehensive bibliography is included. The main part of the paper summarizes recent work carried out at the Daresbury SRS. K-edge XAS studies of glasses as models for silicate melts provide information on the local structural environments of Si, Fe 2+ and Fe 3+. By analogy with synthetic "leucites" which contain Fe 2+ and Fe 3+ in tetrahedral framework sites, it seems that many model glasses also contain both oxidation states of Fe in the network, rather than as network modifiers. The structural sites occupied by the minor elements Mn, Zn and Ti in staurolite have been identified using XAFS; Mn and Zn substitute for Fe 2+ in the tetrahedral T2 site, while Ti occupies the distorted M2 octahedral site. L-edge spectroscopy is used to identify the valencies and electronic structures of Mn and Fe in minerals and the Fe 2+:Fe 3+ ratio in a natural spinel is determined. The polarized nature of the synchrotron beam is exploited in determining the Fe X-ray absorption anisotropy in single crystal tourmaline and epidote. XRD powder studies include Rietveld-refinement structure determination and compressibility studies. Synthetic "leucites" having the stoichiometry K 2MgSi 5O 12 have distinctly different structures. The dry-synthesized form is cubic Ia3d with Si and Mg fully disordered on tetrahedral framework sites, while the hydrothermally-synthesized polymorph is monoclinic P2 1/c with Si and Mg fully disordered on, respectively, 10 and 2 tetrahedral sites. The reversible tetragonal to orthorhombic phase transition in gillespite (BaFeSi 4O 10) has been studied in a diamond anvil cell using ED detection and found to occur at 1.2 ± 0.1 GPa. The anomalous compressibility observed has been interpreted in terms of ferroelastic and

Deconstructing thermodynamic parameters of a coupled system from site-specific observables.

Science.gov (United States)

Chowdhury, Sandipan; Chanda, Baron

2010-11-02

Cooperative interactions mediate information transfer between structural domains of a protein molecule and are major determinants of protein function and modulation. The prevalent theories to understand the thermodynamic origins of cooperativity have been developed to reproduce the complex behavior of a global thermodynamic observable such as ligand binding or enzyme activity. However, in most cases the measurement of a single global observable cannot uniquely define all the terms that fully describe the energetics of the system. Here we establish a theoretical groundwork for analyzing protein thermodynamics using site-specific information. Our treatment involves extracting a site-specific parameter (defined as χ value) associated with a structural unit. We demonstrate that, under limiting conditions, the χ value is related to the direct interaction terms associated with the structural unit under observation and its intrinsic activation energy. We also introduce a site-specific interaction energy term (χ(diff)) that is a function of the direct interaction energy of that site with every other site in the system. When combined with site-directed mutagenesis and other molecular level perturbations, analyses of χ values of site-specific observables may provide valuable insights into protein thermodynamics and structure.

Detailed intermolecular structure of molecular liquids containing slightly distorted tetrahedral molecules with C(3v) symmetry: chloroform, bromoform, and methyl-iodide.

Science.gov (United States)

Pothoczki, Szilvia; Temleitner, László; Pusztai, László

2011-01-28

Analyses of the intermolecular structure of molecular liquids containing slightly distorted tetrahedral molecules of the CXY(3)-type are described. The process is composed of the determination of several different distance-dependent orientational correlation functions, including ones that are introduced here. As a result, a complete structure classification could be provided for CXY(3) molecular liquids, namely for liquid chloroform, bromoform, and methyl-iodide. In the present work, the calculations have been conducted on particle configurations resulting from reverse Monte Carlo computer modeling: these particle arrangements have the advantage that they are fully consistent with structure factors from neutron and x-ray diffraction measurements. It has been established that as the separation between neighboring molecules increases, the dominant mutual orientations change from face-to-face to edge-to-edge, via the edge-to-face arrangements. Depending on the actual liquid, these geometrical elements (edges and faces of the distorted tetrahedra) were found to contain different atoms. From the set of liquids studied here, the structure of methyl-iodide was found to be easiest to describe on the basis of pure steric effects (molecular shape, size, and density) and the structure of liquid chloroform seems to be the furthest away from the corresponding "flexible fused hard spheres" like reference system.

Site scientific mission plan for the southern Great Plain CART site July-December 1997.

Energy Technology Data Exchange (ETDEWEB)

Lamb, P.J.; Peppler, R.A.; Sisterson, D.L.

1997-08-28

The Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site is designed to help satisfy the data needs of the Atmospheric Radiation Measurement (ARM) Program Science Team. This document defines the scientific priorities for site activities during the six months beginning on July 1, 1997, and looks forward in lesser detail to subsequent six-month periods. The primary purpose of this Site Scientific Mission Plan is to provide guidance for the development of plans for site operations. It also provides information on current plans to the ARM functional teams (Management Team, Data and Science Integration Team [DSIT], Operations Team, Instrument Team [IT], and Campaign Team) and serves to disseminate the plans more generally within the ARM Program and among the members of the Science Team. This document includes a description of the operational status of the site and the primary site activities envisioned, together with information concerning approved and proposed intensive observation periods (IOPs). The primary users of this document are the site operator, the Site Scientist Team (SST), the Science Team through the ARM Program science director, the ARM Program Experiment Center, and the aforementioned ARM Program functional teams. This plan is a living document that is updated and reissued every six months as the observational facilities are developed, tested, and augmented and as priorities are adjusted in response to developments in scientific planning and understanding.

Geological-Hydrological Site Evaluation for NPP Planning

Energy Technology Data Exchange (ETDEWEB)

Faust, Brigitte; Mini, Paolo [Nordostsschweizerische Kraftwerke AG NOK, Parkstrasse 23, 5401 Baden (Switzerland)

2008-07-01

NOK is investigating the potential replacement of the current NPP in Beznau. In order to meet the requirements with respect to a general licence application, geological, seismological, and geotechnical engineering, but also hydrological boundary conditions have been defined. These conditions define the nature of necessary investigations to obtain the geological, seismic, geotechnical and hydrological data themselves forming the basis to determine the site suitability. Viability has to be provided that a NPP can be built and operated at the proposed site without compromising public health, safety and environment. The collected data are also the basis for the design of all safety relevant structures, systems, and components. For example, the latter have to withstand the effects of natural phenomena such as earthquakes and human induced impact such as airplane crash without loosing their capability to perform the assigned safety functions. (authors)

Geological-Hydrological Site Evaluation for NPP Planning

International Nuclear Information System (INIS)

Faust, Brigitte; Mini, Paolo

2008-01-01

NOK is investigating the potential replacement of the current NPP in Beznau. In order to meet the requirements with respect to a general licence application, geological, seismological, and geotechnical engineering, but also hydrological boundary conditions have been defined. These conditions define the nature of necessary investigations to obtain the geological, seismic, geotechnical and hydrological data themselves forming the basis to determine the site suitability. Viability has to be provided that a NPP can be built and operated at the proposed site without compromising public health, safety and environment. The collected data are also the basis for the design of all safety relevant structures, systems, and components. For example, the latter have to withstand the effects of natural phenomena such as earthquakes and human induced impact such as airplane crash without loosing their capability to perform the assigned safety functions. (authors)

Topography of the high-affinity lysine binding site of plasminogen as defined with a specific antibody probe

International Nuclear Information System (INIS)

Miles, L.A.; Plow, E.F.

1986-01-01

An antibody population that reacted with the high-affinity lysine binding site of human plasminogen was elicited by immunizing rabbits with an elastase degradation product containing kringles 1-3 (EDP I). This antibody was immunopurified by affinity chromatography on plasminogen-Sepharose and elution with 0.2 M 6-aminohexanoic acid. The eluted antibodies bound [ 125 I]EDP I, [ 125 I]Glu-plasminogen, and [ 125 I]Lys-plasminogen in radioimmunoassays, and binding of each ligand was at least 99% inhibited by 0.2 M 6-aminohexanoic acid. The concentrations for 50% inhibition of [ 125 I]EDP I binding by tranexamic acid, 6-aminohexanoic acid, and lysine were 2.6, 46, and l730 μM, respectively. Similar values were obtained with plasminogen and suggested that an unoccupied high-affinity lysine binding site was required for antibody recognition. The antiserum reacted exclusively with plasminogen derivatives containing the EDP I region and did not react with those lacking an EDP I region, or with tissue plasminogen activator or prothrombin, which also contains kringles. By immunoblotting analyses, a chymotryptic degradation product of M/sub r/ 20,000 was derived from EDP I that retained reactivity with the antibody. α 2 -Antiplasmin inhibited the binding of radiolabeled EDP I, Glu-plasminogen, or Lys-plasminogen by the antiserum, suggesting that the recognized site is involved in the noncovalent interaction of the inhibitor with plasminogen. The binding of [ 125 I]EDP I to fibrin was also inhibited by the antiserum. The observations provide independent evidence for the role of the high-affinity lysine binding site in the functional interactions of plasminogen with its primary substrate and inhibitor

Distinct retroelement classes define evolutionary breakpoints demarcating sites of evolutionary novelty

Science.gov (United States)

Longo, Mark S; Carone, Dawn M; Green, Eric D; O'Neill, Michael J; O'Neill, Rachel J

2009-01-01

Background Large-scale genome rearrangements brought about by chromosome breaks underlie numerous inherited diseases, initiate or promote many cancers and are also associated with karyotype diversification during species evolution. Recent research has shown that these breakpoints are nonrandomly distributed throughout the mammalian genome and many, termed "evolutionary breakpoints" (EB), are specific genomic locations that are "reused" during karyotypic evolution. When the phylogenetic trajectory of orthologous chromosome segments is considered, many of these EB are coincident with ancient centromere activity as well as new centromere formation. While EB have been characterized as repeat-rich regions, it has not been determined whether specific sequences have been retained during evolution that would indicate previous centromere activity or a propensity for new centromere formation. Likewise, the conservation of specific sequence motifs or classes at EBs among divergent mammalian taxa has not been determined. Results To define conserved sequence features of EBs associated with centromere evolution, we performed comparative sequence analysis of more than 4.8 Mb within the tammar wallaby, Macropus eugenii, derived from centromeric regions (CEN), euchromatic regions (EU), and an evolutionary breakpoint (EB) that has undergone convergent breakpoint reuse and past centromere activity in marsupials. We found a dramatic enrichment for long interspersed nucleotide elements (LINE1s) and endogenous retroviruses (ERVs) and a depletion of short interspersed nucleotide elements (SINEs) shared between CEN and EBs. We analyzed the orthologous human EB (14q32.33), known to be associated with translocations in many cancers including multiple myelomas and plasma cell leukemias, and found a conserved distribution of similar repetitive elements. Conclusion Our data indicate that EBs tracked within the class Mammalia harbor sequence features retained since the divergence of marsupials

Distinct retroelement classes define evolutionary breakpoints demarcating sites of evolutionary novelty

Directory of Open Access Journals (Sweden)

Green Eric D

2009-07-01

Full Text Available Abstract Background Large-scale genome rearrangements brought about by chromosome breaks underlie numerous inherited diseases, initiate or promote many cancers and are also associated with karyotype diversification during species evolution. Recent research has shown that these breakpoints are nonrandomly distributed throughout the mammalian genome and many, termed "evolutionary breakpoints" (EB, are specific genomic locations that are "reused" during karyotypic evolution. When the phylogenetic trajectory of orthologous chromosome segments is considered, many of these EB are coincident with ancient centromere activity as well as new centromere formation. While EB have been characterized as repeat-rich regions, it has not been determined whether specific sequences have been retained during evolution that would indicate previous centromere activity or a propensity for new centromere formation. Likewise, the conservation of specific sequence motifs or classes at EBs among divergent mammalian taxa has not been determined. Results To define conserved sequence features of EBs associated with centromere evolution, we performed comparative sequence analysis of more than 4.8 Mb within the tammar wallaby, Macropus eugenii, derived from centromeric regions (CEN, euchromatic regions (EU, and an evolutionary breakpoint (EB that has undergone convergent breakpoint reuse and past centromere activity in marsupials. We found a dramatic enrichment for long interspersed nucleotide elements (LINE1s and endogenous retroviruses (ERVs and a depletion of short interspersed nucleotide elements (SINEs shared between CEN and EBs. We analyzed the orthologous human EB (14q32.33, known to be associated with translocations in many cancers including multiple myelomas and plasma cell leukemias, and found a conserved distribution of similar repetitive elements. Conclusion Our data indicate that EBs tracked within the class Mammalia harbor sequence features retained since the

Coexistence of ferromagnetism and spin glass freezing in the site-disordered kagome ferrite SrSn2Fe4O11

Science.gov (United States)

Shlyk, Larysa; Strobel, S.; Farmer, B.; De Long, L. E.; Niewa, R.

2018-05-01

Single-crystal x-ray diffraction refinements indicate SrSn2Fe4O11 crystallizes in the hexagonal R-type ferrite structure with non-centrosymmetric space group P63mc and lattice parameters a = 5.9541(2) Å, c = 13.5761(5) Å, Z = 2 (R(F) = 0.034). Octahedrally coordinated sites are randomly occupied by Sn and Fe; whereas tetrahedrally coordinated sites are exclusively occupied by Fe, whose displacement from ideal trigonal-bipyramidal coordination causes the loss of inversion symmetry. DC magnetization data indicate SrSn2Fe4O11 single crystals undergo ferro- or ferri-magnetic order below a transition temperature TC = 630 K with very low coercive fields Hc ⊥ = 0.27 Oe and Hc// = 1.5 Oe at 300 K, for applied fields perpendicular and parallel to the c-axis, respectively. The value for TC is exceptionally high, and the coercive fields exceptionally low, among the known R-type ferrites. Enhanced coercivity and thermomagnetic hysteresis suggest the onset of short-range, spin glass order occurs below Tf = 35 K. Optical measurements indicate a band gap of 0.8 eV, consistent with wide-gap semiconducting behavior and a previously established empirical correlation between the semiconducting gap and TC for R-type ferrites based upon Ru.

Electron transport determines the electrochemical properties of tetrahedral amorphous carbon (ta-C) thin films

International Nuclear Information System (INIS)

Palomäki, Tommi; Wester, Niklas; Caro, Miguel A.; Sainio, Sami; Protopopova, Vera; Koskinen, Jari; Laurila, Tomi

2017-01-01

Amorphous carbon based electrodes are very promising for electrochemical sensing applications. In order to better understand their structure-function relationship, the effect of film thickness on the electrochemical properties of tetrahedral amorphous carbon (ta-C) electrodes was investigated. ta-C thin films of 7, 15, 30, 50 and 100 nm were characterized in detail with Raman spectroscopy, transmission electron microscopy (TEM), conductive atomic force microscopy (c-AFM), scanning tunneling spectroscopy (STS) and X-ray absorption spectroscopy (XAS) to assess (i) the surface properties of the films, (ii) the effect of film thickness on their structure and electrical properties and (iii) the subsequent correlation with their electrochemistry. The electrochemical properties were investigated by cyclic voltammetry (CV) using two different outer-sphere redox probes, Ru(NH 3 ) 6 3+/2+ and FcMeOH, and by electrochemical impedance spectroscopy (EIS). Computational simulations using density functional theory (DFT) were carried out to rationalize the experimental findings. The characterization results showed that the sp 2 /sp 3 ratio increased with decreasing ta-C film thickness. This correlated with a decrease in mobility gap value and an increase in the average current through the films, which was also consistent with the computational results. XAS indicated that the surface of the ta-C films was always identical and composed of a sp 2 -rich layer. The CV measurements indicated reversible reaction kinetics for both outer-sphere redox probes at 7 and 15 nm ta-C films with a change to quasi-reversible behavior at a thickness of around 30 nm. The charge transfer resistance, obtained from EIS measurements, decreased with decreasing film thickness in accordance with the CV results. Based on the characterization and electrochemical results, we conclude that the reaction kinetics in the case of outer-sphere redox systems is determined mainly by the electron transport through the

Site Scientific Mission Plan for the Southern Great Plains CART site: January--June 1994

Energy Technology Data Exchange (ETDEWEB)

Schneider, J.M.; Lamb, P.J. [Univ. of Oklahoma, Norman, OK (United States). Cooperative Inst. for Mesoscale Meteorological Studies; Sisterson, D.L. [Argonne National Lab., IL (United States). Environmental Research Div.

1993-12-01

The Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site is designed to help satisfy the data needs of the Atmospheric Radiation Measurement (ARM) Program Science Team. This document defines the scientific priorities for site activities during the six months beginning on January 1, 1994, and also looks forward in lesser detail to subsequent six-month periods. The primary purpose of this Site Scientific Mission Plan is to provide guidance for the development of plans for site operations. It also provides information on current plans to the ARM Functional Teams (Management Team, Experiment Support Team, Operations Team, Data Management Team, Instrument Team, and Campaign Team), and it serves to disseminate the plans more generally within the ARM Program and among the Science Team. This document includes a description of the site`s operational status and the primary envisaged site activities, together with information concerning approved and proposed Intensive Observation Periods. Amendments will be prepared and distributed whenever the content changes by more than 30% within a six-month period. The primary users of this document are the site operator, the site scientist, the Science Team through the ARM Program Science Director, the ARM Program Experiment Center, and the aforementioned ARM Program Functional Teams. This plan is a living document that will be updated and reissued every six months as the observational facilities are developed, tested, and augmented and as priorities are adjusted in response to developments in scientific planning and understanding.

Environmental variability and its relationship to site index in Mediterranean maritine pine

Energy Technology Data Exchange (ETDEWEB)

Bravo-Oviedo, A.; Roig, S.; Bravo, F.; Montero, G.; Rio, M. del

2011-07-01

Environmental variability and site productivity relationships, estimated by means of soil-site equations, are considered a milestone in decision making of forest management. The adequacy of silviculture systems is related to tree response to environmental conditions. The objectives of this paper are to study climatic and edaphic variability in Mediterranean Maritime pine (Pinus pinaster) forests in Spain, and the practical use of such variability in determining forest productivity by means of site index estimation. Principal component analysis was used to describe environmental conditions and patterns. Site index predictive models were fitted using partial least squares and parsimoniously by ordinary least square. Climatic variables along with parent material defined an ecological regionalization from warm and humid to cold and dry sites. Results showed that temperature and precipitation in autumn and winter, along with longitudinal gradient define extreme site qualities. The best qualities are located in warm and humid sites whereas the poorest ones are found in cold and dry regions. Site index values are poorly explained by soil properties. However, clay content in the first mineral horizon improved the soil-site model considerably. Climate is the main driver of productivity of Mediterranean Maritime pine in a broad scale. Site index differences within a homogenous climatic region are associated to soil properties. (Author) 47 refs.

Seismic hazard analysis of the NPP Kozloduy site

International Nuclear Information System (INIS)

Petrovski, D.; Stamatovska, S.; Arsovski, M.; Hadzievski, D.; Sokerova, D.; Solakov, D.; Vaptzarov, I.; Satchanski, S.

1993-01-01

The principal objective of this study is to define the seismic hazard for the NPP Kozloduy site. Seismic hazard is by rule defined by the probability distribution function of the peak value of the chosen ground motion parameter in a defined time interval. The overall study methodology consists of reviewing the existing geological, seismological and tectonic information to formulate this information into a mathematical model of seismic activity of the region and using this assess earthquake ground motion in terms of probability. Detailed regional and local seismological investigations have been performed. Regional investigations encompass the area within a radius of 320 km from the NPP Kozloduy site. The results of these investigations include all seismological parameters that are necessary for determination of the mathematical model of the seismicity of the region needed for the seismic hazard analysis. Regional geological and neotectonic investigations were also performed for the wider area including almost the whole territory of Bulgaria, a large part of Serbia, part of Macedonia and almost the whole south part of Romania

Safety Review Services, Site Review Services and IRRS

International Nuclear Information System (INIS)

Yllera, Javier

2010-01-01

The selection and the evaluation of the site for a nuclear power plant are crucial parts of establishing a nuclear power programme and can be significantly affected by costs, public acceptance and safety considerations. Siting is the process of selecting a suitable site for a facility. This is area containing the plant, defined by a boundary and under effective control of the Plant Management. For safety related issues comparison within topics is generally quite straightforward. For example, sites with relatively higher seismic hazard would be penalized in comparison with those in more stable areas. The site for the NPP is generally chosen at a relatively ‘aseismic’ part of the country. This generally means that well known seismogenic sources are more than at least 50 kms from the site. The proposed sites for nuclear installations shall be examined with respect to the frequency and the severity of natural and human induced events and phenomena that could affect the safety of the installation. The Events unconnected with the operation of a facility or activity which could have an effect on the safety of the facility or activity. The relationship between the site and the design for the nuclear installation shall be examined to ensure that the radiological risk to the public and the environment arising from releases defined by the source terms is acceptably low. The Nuclear Regulatory Authority should issue a document that sets out the technical safety and security criteria against which the Site Permit Application for a new NPP will be reviewed. The objective of the Site Safety Review Services (SSRS) is provided upon request from a Member State. An independent review and assessment of the site and nuclear installation safety in relation to external natural and man induced hazards. This is to make recommendations on additional analysis or plant modifications to be carried out in order to comply with the IAEA Safety Standards and to enhance safety

Tunnel-Site Selection by Remote Sensing Techniques

Science.gov (United States)

A study of the role of remote sensing for geologic reconnaissance for tunnel-site selection was commenced. For this study, remote sensing was defined...conventional remote sensing . Future research directions are suggested, and the extension of remote sensing to include airborne passive microwave

Site scientific mission plan for the Southern Great Plains CART site: January 1997--June 1997

Energy Technology Data Exchange (ETDEWEB)

Peppler, R.A.; Lamb, P.J. [Univ. of Oklahoma, Norman, OK (United States). Cooperative Institute for Mesoscale Meteorological Studies; Sisterson, D.L. [Argonne National Lab., IL (United States)

1997-01-01

The Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site is designed to help satisfy the data needs of the Atmospheric Radiation Measurement (ARM) Program Science Team. This document defines the scientific priorities for site activities during the six months beginning on January 1, 1997, and looks forward in lesser detail to subsequent six-month periods. The primary purpose of this Site Scientific Mission Plan is to provide guidance for the development of plans for site operations. It also provides information on current plans to the ARM functional teams (Management Team, Data and Science Integration Team [DSIT], Operations Team, Instrument Team [IT], and Campaign Team) and serves to disseminate the plans more generally within the ARM Program and among the members of the Science Team. This document includes a description of the operational status of the site and the primary site activities envisioned, together with information concerning approved and proposed intensive observation periods (IOPs). The primary users of this document are the site operator, the Site Scientist Team (SST), the Science Team through the ARM Program science director, the ARM Program Experiment Center, and the aforementioned ARM Program functional teams. This plan is a living document that is updated and reissued every six months as the observational facilities are developed, tested, and augmented and as priorities are adjusted in response to developments in scientific planning and understanding.

Rehabilitation of El Yahoudia dumping site, Tunisia.

Science.gov (United States)

Zaïri, M; Ferchichi, M; Ismaïl, A; Jenayeh, M; Hammami, H

2004-01-01

As in all developing countries, cities in Tunisia face serious problems of environmental pollution caused mainly by the inadequate and inefficient final disposal of their generated solid wastes. The Tunisian government launched a development program including the construction of landfills in the main cities and the closure of the contaminated sites issued from solid wastes landrising practice. The project of the Henchir El Yahoudia landfill restoration is the first experience in this programme. It has been suggested to convert the site to a green park and to implement an ornamental plant nursery. The whole surface of the landfill is approximately 100 ha from which 30 ha have been already transformed to an urban recreational area and the remaining 70 ha have to be characterized for the project extension. A field investigation by boring was conducted in order to define the geological and the hydrogeological conditions, the vertical and horizontal wastes layer extension, content and degree of decomposition and the composition and quantities of leachate and landfill gas. Representative samples of waste, soil, groundwater and leachate were collected for laboratory analyses. Several of these borings were converted to piezometers to define the flow regime in the site. The results showed that the biogas (CH4, H2S, and CO2), leachate and waste, distribution in the site is mainly affected by the temporal variation of the site operating method. The underlying fissured clay layer facilitated leachate infiltration into the groundwater where high BOD, COD and nitrogen concentrations were registered.

Highly porous ionic rht metal-organic framework for H2 and CO2 storage and separation: A molecular simulation study

KAUST Repository

Babarao, Ravichandar; Eddaoudi, Mohamed; JIANG, Jianwen

2010-01-01

adsorption occurs near the NO 3 - ions that act as preferential sites. With increasing pressure, H2 molecules occupy the tetrahedral and cuboctahedral cages and the intersection regions. The predicted isotherm of H2 at 77 K agrees well with the experimental

Low-level radioactive waste disposal at a humid site

International Nuclear Information System (INIS)

Lee, D.W.

1987-03-01

Waste management in humid environments poses a continuing challenge because of the potential contamination of groundwater in the long term. Short-term needs for waste disposal, regulatory uncertainty, and unique site and waste characteristics have led to the development of a site-specific waste classification and management system proposed for the Oak Ridge Reservation. The overlying principle of protection of public health and safety is used to define waste classes compatible with generated waste types, disposal sites and technologies, and treatment technologies. 1 fig., 1 tab

Defining functional DNA elements in the human genome

Science.gov (United States)

Kellis, Manolis; Wold, Barbara; Snyder, Michael P.; Bernstein, Bradley E.; Kundaje, Anshul; Marinov, Georgi K.; Ward, Lucas D.; Birney, Ewan; Crawford, Gregory E.; Dekker, Job; Dunham, Ian; Elnitski, Laura L.; Farnham, Peggy J.; Feingold, Elise A.; Gerstein, Mark; Giddings, Morgan C.; Gilbert, David M.; Gingeras, Thomas R.; Green, Eric D.; Guigo, Roderic; Hubbard, Tim; Kent, Jim; Lieb, Jason D.; Myers, Richard M.; Pazin, Michael J.; Ren, Bing; Stamatoyannopoulos, John A.; Weng, Zhiping; White, Kevin P.; Hardison, Ross C.

2014-01-01

With the completion of the human genome sequence, attention turned to identifying and annotating its functional DNA elements. As a complement to genetic and comparative genomics approaches, the Encyclopedia of DNA Elements Project was launched to contribute maps of RNA transcripts, transcriptional regulator binding sites, and chromatin states in many cell types. The resulting genome-wide data reveal sites of biochemical activity with high positional resolution and cell type specificity that facilitate studies of gene regulation and interpretation of noncoding variants associated with human disease. However, the biochemically active regions cover a much larger fraction of the genome than do evolutionarily conserved regions, raising the question of whether nonconserved but biochemically active regions are truly functional. Here, we review the strengths and limitations of biochemical, evolutionary, and genetic approaches for defining functional DNA segments, potential sources for the observed differences in estimated genomic coverage, and the biological implications of these discrepancies. We also analyze the relationship between signal intensity, genomic coverage, and evolutionary conservation. Our results reinforce the principle that each approach provides complementary information and that we need to use combinations of all three to elucidate genome function in human biology and disease. PMID:24753594

Co2+ ion exchange with NaY

International Nuclear Information System (INIS)

Garcia, I.; Solache-Rios, M.; Bulbulian, S.; Bosch, P.

1993-01-01

Co 2+ ion exchange from aqueous cobalt chloride-sodium chloride solutions with NaY zeolite has been investigated. The effect of contact time on the sorption of Co 2+ by dehydrated Y zeolite at 150 degrees C is unusual. A fast sorption uptake is observed in which 1.73 mequiv/g of zeolite of Na + ions is replaced by cobalt ions, followed by a desorption process where the uptake decreases to 1.56 mequiv/g of zeolite. This behavior is explained by the location and coordination of cobalt in Y zeolite sites. It is suggested that the maximum uptake corresponds to cobalt ions being simultaneously in two sites; tetrahedrally coordinated in the sodalite units and octahedrally coordinated in the large cavities. It is also suggested that the desorption process is a consequence of a reaction between Cl - ions and the tetrahedral species. 20 refs., 4 figs

One-pot production of copper ferrite nanoparticles using a chemical method

Energy Technology Data Exchange (ETDEWEB)

Nishida, Naoki, E-mail: nnishida@rs.tus.ac.jp; Amagasa, Shota [Tokyo University of Science, Department of Chemistry (Japan); Kobayashi, Yoshio [The University of Electro-Communications, Department of Engineering Science (Japan); Yamada, Yasuhiro [Tokyo University of Science, Department of Chemistry (Japan)

2016-12-15

Copper ferrite nanoparticles were synthesized via the oxidation of precipitates obtained from the reaction of FeCl{sub 2}, CuSO{sub 4} and N{sub 2}H{sub 4} in the presence of gelatin. These copper ferrite particles were subsequently examined using powder X-ray diffraction (XRD), transmission electron microscopy (TEM), and Mössbauer spectroscopy. The average size of the copper ferrite nanoparticles was less than 5 nm, and they exhibited superparamagnetic behavior as a result of their small size. The low temperature Mössbauer spectrum exhibited three sets of sextets, two corresponding to the tetrahedral and octahedral sites of the copper spinel structure and one with small hyperfine magnetic field corresponding to the surface or defects of the nanoparticles. When the ratio of copper salt was increased, the tetrahedral site became preferable for copper, and metallic copper and copper ferrite were both present in a single nanoparticle.

Methodological guide: management of industrial sites potentially contaminated by radioactive substances

International Nuclear Information System (INIS)

2001-01-01

At the request of the Ministries of Health and the Environment, IPSN is preparing and publishing the first version of the methodological guide devoted to managing industrial sites potentially contaminated by radioactive substances. This guide describes a procedure for defining and choosing strategies for rehabilitating such industrial sites. (author)

Residues in the H+ Translocation Site Define the pKa for Sugar Binding to LacY†

Science.gov (United States)

Smirnova, Irina; Kasho, Vladimir; Sugihara, Junichi; Choe, Jun-Yong; Kaback, H. Ronald

2009-01-01

A remarkably high pKa of approximately 10.5 has been determined for sugar-binding affinity to the lactose permease of Escherichia coli (LacY), indicating that, under physiological conditions, substrate binds to fully protonated LacY. We have now systematically tested site-directed replacements for the residues involved in sugar binding, as well as H+ translocation and coupling, in order to determine which residues may be responsible for this alkaline pKa. Mutations in the sugar-binding site (Glu126, Trp151, Glu269) markedly decrease affinity for sugar but do not alter the pKa for binding. In contrast, replacements for residues involved in H+ translocation (Arg302, Tyr236, His322, Asp240, Glu325, Lys319) exhibit pKa values for sugar binding that are either shifted toward neutral pH or independent of pH. Values for the apparent dissociation constant for sugar binding (Kdapp) increase greatly for all mutants except neutral replacements for Glu325 or Lys319, which are characterized by remarkably high affinity sugar binding (i.e., low Kdapp) from pH 5.5 to pH 11. The pH dependence of the on- and off-rate constants for sugar binding measured directly by stopped-flow fluorometry implicates koff as a major factor for the affinity change at alkaline pH and confirms the effects of pH on Kdapp inferred from steady-state fluorometry. These results indicate that the high pKa for sugar binding by wild-type LacY cannot be ascribed to any single amino acid residue but appears to reside within a complex of residues involved in H+ translocation. There is structural evidence for water bound in this complex, and the water could be the site of protonation responsible for the pH dependence of sugar binding. PMID:19689129

Natural gels: crystal-chemistry of short range ordered components in Al, Fe, and Si systems

International Nuclear Information System (INIS)

Ildefonse, Ph.; Calas, G.

1997-01-01

In this review, the most important inorganic natural gels are presented: opal, aluminosilicate (allophanes) and hydrous iron oxides and silicates. It is demonstrated that natural gels are ordered at the atomic scale. In allophanes, Al is distributed between octahedral and tetrahedral sites. The amount of Al increases as Al/Si ratio decreases. Si-rich allophane have a local structure around Al and Si very different of that is known in kaolinite or halloysite. Transformation of Si-rich allophanes to crystallized minerals implies dissolution-recrystallization processes. On the contrary, in iron silicate with Fe/Si = 0.72, Si and Fe environments are close to those found in nontronite. The gel transformation to Fe-smectite may occur by long range ordering during ageing. In ferric silicate gels, the similarity of local structure around Fe in poorly ordered precursors and what is known in crystallized minerals suggests a solid transformation during ageing. This difference between iron and aluminium is mainly due to the ability of Al to enter both tetrahedral and octahedral sites, while the affinity of iron for octahedral sites is higher at low temperature

Rietveld refinement of the crystal structures of Rb2XSi5O12 (X = Ni, Mn

Directory of Open Access Journals (Sweden)

Anthony M. T. Bell

2016-02-01

Full Text Available The synthetic leucite silicate framework mineral analogues Rb2XSi5O12 {X = Ni [dirubidium nickel(II pentasilicate] and Mn [dirubidium manganese(II pentasilicate]} have been prepared by high-temperature solid-state synthesis. The results of Rietveld refinements, using X-ray powder diffraction data collected using Cu Kα X-rays, show that the title compounds crystallize in the space group Pbca and adopt the cation-ordered structure of Cs2CdSi5O12 and other leucites. The structures consist of tetrahedral SiO4 and XO4 units sharing corners to form a partially substituted silicate framework. Extraframework Rb+ cations sit in channels in the framework. All atoms occupy the 8c general position for this space group. In these refined structures, silicon and X atoms are ordered onto separate tetrahedrally coordinated sites (T-sites. However, the Ni displacement parameter and the Ni—O bond lengths suggest that for the X = Ni sample, there may actually be some T-site cation disorder.

Steerable sound transport in a 3D acoustic network

Science.gov (United States)

Xia, Bai-Zhan; Jiao, Jun-Rui; Dai, Hong-Qing; Yin, Sheng-Wen; Zheng, Sheng-Jie; Liu, Ting-Ting; Chen, Ning; Yu, De-Jie

2017-10-01

Quasi-lossless and asymmetric sound transports, which are exceedingly desirable in various modern physical systems, are almost always based on nonlinear or angular momentum biasing effects with extremely high power levels and complex modulation schemes. A practical route for the steerable sound transport along any arbitrary acoustic pathway, especially in a three-dimensional (3D) acoustic network, can revolutionize the sound power propagation and the sound communication. Here, we design an acoustic device containing a regular-tetrahedral cavity with four cylindrical waveguides. A smaller regular-tetrahedral solid in this cavity is eccentrically emplaced to break spatial symmetry of the acoustic device. The numerical and experimental results show that the sound power flow can unimpededly transport between two waveguides away from the eccentric solid within a wide frequency range. Based on the quasi-lossless and asymmetric transport characteristic of the single acoustic device, we construct a 3D acoustic network, in which the sound power flow can flexibly propagate along arbitrary sound pathways defined by our acoustic devices with eccentrically emplaced regular-tetrahedral solids.

Site scientific mission plan for the southern great plains CART site January-June 2000.; TOPICAL

International Nuclear Information System (INIS)

Peppler, R. A.; Sisterson, D. L.; Lamb, P.

2001-01-01

The Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site was designed to help satisfy the data needs of the Atmospheric Radiation Measurement (ARM) Program Science Team. This Site Scientific Mission Plan defines the scientific priorities for site activities during the six months beginning on January 1, 2000, and looks forward in less detail to subsequent six-month periods. The primary purpose of this document is to provide scientific guidance for the development of plans for site operations. It also provides information on current plans to the ARM functional teams (Management Team, Data and Science Integration Team[DSIT], Operations Team, and Instrument Team[IT]) and serves to disseminate the plans more generally within the ARM Program and among the members of the Science Team. This document includes a description of the operational status of the site and the primary site activities envisioned, together with information concerning approved and proposed intensive observation periods (IOPs). The primary users of this document are the site operator, the site program manager, the Site Scientist Team (SST), the Science Team through the ARM Program science director, the ARM Program Experiment Center, and the aforementioned ARM Program functional teams. This plan is a living document that is updated and reissued every six months as the observational facilities are developed, tested, and augmented and as priorities are adjusted in response to developments in scientific planning and understanding. With this issue, many aspects of earlier Site Scientific Mission Plan reports have been moved to ARM sites on the World Wide Web. This report and all previous reports are available on the SGP CART web site

Hanford Site Environmental Management Specification

International Nuclear Information System (INIS)

DAILY, J.L.

2001-01-01

The US Department of Energy, Richland Operations Office (RL) has established a document hierarchy as part of its integrated management system. The Strategic Plan defines the vision, values, missions, strategic goals, high-level outcomes, and the basic strategies in achieving those outcomes. As shown in Figure 1-1, the Site Specification derives requirements from the Strategic Plan and documents the top-level mission technical requirements for the work involved in the RL Hanford Site cleanup and infrastructure activities under the responsibility of the U.S. Department of Energy, Office of Environmental Management (EM). It also provides the basis for all contract technical requirements. Since this is limited to the EM work, neither the Fast Flux Test Facility (FFTF) nor the Pacific Northwest National Laboratory (PNNL) non-EM science activities are included. Figure 1-1 also shows the relationship between this Site Specification and the other Site management and planning documents. Similarly, the documents, orders, and laws referenced in this document represent only the most salient sources of requirements. Current and contractual reference data contain a complete set of source documents

Quality of data used in site selection

International Nuclear Information System (INIS)

Delvin, W.L.

1986-01-01

The selection of sites for nuclear waste repositories requires an investigative effort to characterize potential sites with regard to geologic properties and environmental considerations. Such investigations generate scientific and engineering data through the experimental testing and evaluation of geologic and environmental materials and through sampling and analysis of those materials. Data generated for site selection must be correct, defendable, and suitable for their intended use; they must have quality. Five quality characteristics are defined and practices followed by scientists and engineers producing data have been grouped into seven categories called quality guides. These are presented in the paper and the relationship between the guides (practices) and the five quality characteristics is shown

Pathogen Treatment Guidance and Monitoring Approaches fro On-Site Non-Potable Water Reuse

Science.gov (United States)

On-site non-potable water reuse is increasingly used to augment water supplies, but traditional fecal indicator approaches for defining and monitoring exposure risks are limited when applied to these decentralized options. This session emphasizes risk-based modeling to define pat...

The use of tetrahedral mesh geometries in Monte Carlo simulation of applicator based brachytherapy dose distributions

International Nuclear Information System (INIS)

Fonseca, Gabriel Paiva; Yoriyaz, Hélio; Landry, Guillaume; White, Shane; Reniers, Brigitte; Verhaegen, Frank; D’Amours, Michel; Beaulieu, Luc

2014-01-01

Accounting for brachytherapy applicator attenuation is part of the recommendations from the recent report of AAPM Task Group 186. To do so, model based dose calculation algorithms require accurate modelling of the applicator geometry. This can be non-trivial in the case of irregularly shaped applicators such as the Fletcher Williamson gynaecological applicator or balloon applicators with possibly irregular shapes employed in accelerated partial breast irradiation (APBI) performed using electronic brachytherapy sources (EBS). While many of these applicators can be modelled using constructive solid geometry (CSG), the latter may be difficult and time-consuming. Alternatively, these complex geometries can be modelled using tessellated geometries such as tetrahedral meshes (mesh geometries (MG)). Recent versions of Monte Carlo (MC) codes Geant4 and MCNP6 allow for the use of MG. The goal of this work was to model a series of applicators relevant to brachytherapy using MG. Applicators designed for 192 Ir sources and 50 kV EBS were studied; a shielded vaginal applicator, a shielded Fletcher Williamson applicator and an APBI balloon applicator. All applicators were modelled in Geant4 and MCNP6 using MG and CSG for dose calculations. CSG derived dose distributions were considered as reference and used to validate MG models by comparing dose distribution ratios. In general agreement within 1% for the dose calculations was observed for all applicators between MG and CSG and between codes when considering volumes inside the 25% isodose surface. When compared to CSG, MG required longer computation times by a factor of at least 2 for MC simulations using the same code. MCNP6 calculation times were more than ten times shorter than Geant4 in some cases. In conclusion we presented methods allowing for high fidelity modelling with results equivalent to CSG. To the best of our knowledge MG offers the most accurate representation of an irregular APBI balloon applicator. (paper)

Diffusion and retention of hydrogen in vanadium in presence of Ti and Cr: First-principles investigations

Energy Technology Data Exchange (ETDEWEB)

Zhang, Pengbo, E-mail: zhangpb@dlmu.edu.cn [Department of Physics, Dalian Maritime University, Dalian 116026 (China); Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Zou, Tingting [Information Science and Technology College, Dalian Maritime University, Dalian 116026 (China); Zhao, Jijun [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Zheng, Pengfei; Chen, Jiming [Southwestern Institute of Physics, Chengdu 610041 (China)

2017-02-15

We systemically investigated diffusion and retention of hydrogen (H) in vanadium (V) in presence of Ti/Cr and determined the stability of H{sub n} clusters and H{sub n}-vacancy clusters (n = 1–6) near Cr/Ti using first-principles calculations. H prefers a tetrahedral site near Ti than other interstitial sites. H-Cr interactions have a weak repulsion contrarily H-Ti interactions have a weak attraction. Kinetically, H diffusion barrier decreases towards Ti, while it increases towards Cr. Ti and Cr block H mobility in V alloys. Moreover, H{sub n} Ti clusters are quite stable while H{sub n}Cr clusters are less stable. Ti enhances H retention by acting as a trapping site for multiple H atoms in similar with vacancy, and a Ti atom can trap at least six H atoms. The stability of H-vacancy-Cr/Ti complexes and vacancy-Cr/Ti trapping for multiple H atoms are discussed. The findings are valuable for understanding the mechanism of H bubble nucleation and H embrittlement under irradiation. - Highlights: • Ti enhances H retention by trapping for multiple H atoms in similar with vacancy. • H prefers the tetrahedral sites near Ti than other interstitial sites. • H diffusion barrier decreases towards Ti, while it increases towards Cr.

Hanford site transuranic waste sampling plan

International Nuclear Information System (INIS)

GREAGER, T.M.

1999-01-01

This sampling plan (SP) describes the selection of containers for sampling of homogeneous solids and soil/gravel and for visual examination of transuranic and mixed transuranic (collectively referred to as TRU) waste generated at the U.S. Department of Energy (DOE) Hanford Site. The activities described in this SP will be conducted under the Hanford Site TRU Waste Certification Program. This SP is designed to meet the requirements of the Transuranic Waste Characterization Quality Assurance Program Plan (CAO-94-1010) (DOE 1996a) (QAPP), site-specific implementation of which is described in the Hanford Site Transuranic Waste Characterization Program Quality Assurance Project Plan (HNF-2599) (Hanford 1998b) (QAPP). The QAPP defines the quality assurance (QA) requirements and protocols for TRU waste characterization activities at the Hanford Site. In addition, the QAPP identifies responsible organizations, describes required program activities, outlines sampling and analysis strategies, and identifies procedures for characterization activities. The QAPP identifies specific requirements for TRU waste sampling plans. Table 1-1 presents these requirements and indicates sections in this SP where these requirements are addressed

X-ray and neutron scattering investigations of YCo3-H

International Nuclear Information System (INIS)

Benham, M.J.; Bennington, S.M.; Ross, D.K.; Noreus, D.; Yamaguchi, M.

1989-01-01

Various structural studies of YCo 3 H(D) x in the β-phase (0 2 . Neutron diffraction and inelastic neutron scattering were also used in tandem, and hydrogen occupation of a single (36i) tetrahedral site was inferred for the entire concentration range. (orig.)

Optical Lattice Bose-Einstein Condensates and the dd Fusion - Iwamura Connection

Science.gov (United States)

Chubb, Talbot

2003-03-01

My conjecture: LENR dd fusion occurs in PdDx when a subset of the interstitial deuterons occupy tetrahedral sites in a PdDx crystallite. The tetrahedral deuterons(d's), which occupy shallow potential wells, behave as a superfluid, similar to ultracold Na atoms in shallow-well optical traps, as modeled by Jaksch et al.(D. Jaksch, et al, Phys. Rev. Lett., 81, 3108 (1998).) The tetrahedral d's form a deuteron (d) subsystem, which is neutralized by an electron subsystem containing an equal number of electrons. In the superfluid all the properties of each quasiparticle d are partitioned among N_s_i_te equivalent sites. The partitioning of the d point charge reduces the Coulomb self-repulsion within each quasiparticle pair, which causes wave function overlap at large N_s_i_t_e, allowing d-d fusion. Similarly, partitioning of the point charge of each single quasiparticle d reduces the Coulomb repulsion between it and an obstructing impurity atom, which causes wave function overlap between quasiparticle and atom at large N_s_i_t_e, allowing transmutation of the impurity atom. The Iwamura reaction(Y. Iwamura, et al, Japan J. of Appl. Physics, 41A, 4642 (2002).) is 4 ^2D^+_B_l_o_ch + 4 e^-_B_l_o_ch + ^1^3^3Cs arrow ^1^4^1Pr, with the reaction energy incoherently transferred to the lattice.

Can play be defined?

DEFF Research Database (Denmark)

Eichberg, Henning

2015-01-01

Can play be defined? There is reason to raise critical questions about the established academic demand that at phenomenon – also in humanist studies – should first of all be defined, i.e. de-lineated and by neat lines limited to a “little box” that can be handled. The following chapter develops....... Human beings can very well understand play – or whatever phenomenon in human life – without defining it....

Site selection of radioactive waste repository in the Republic of Croatia

International Nuclear Information System (INIS)

Saler, A.

1992-01-01

The radioactive waste repository site-selection procedure in Croatia is divided into two stages: the first, related to the exclusionary screening of the national territory and comparison of potential areas in order to identify preferred sites, acceptable for inclusion into the Regional Plan; and the second, comprising all necessary field investigations as well as additional site-characterization tasks planned to be worked out at a preferred sites. Several potential areas, representing an intermediate goal of the first stage, are defined till now. (author) [hr

Crystal growth of carbonate apatite using a CaCO3 flux.

Science.gov (United States)

Suetsugu, Y; Tanaka, J

1999-09-01

Single crystals of carbonate apatite were grown using a CaCO3 flux under an Ar gas pressure of 55 MPa. The crystals obtained were observed by scanning electron microscopy, optical microscopy and X-ray diffraction. Electron probe microanalyses and thermal analyses were performed. CO3 ions in planar triangle form replaced both OH sites and PO4 tetrahedral sites in the apatite structure: in particular, the OH sites were perfectly substituted by CO3 ions using this method.

Software Defined Cyberinfrastructure

Energy Technology Data Exchange (ETDEWEB)

Foster, Ian; Blaiszik, Ben; Chard, Kyle; Chard, Ryan

2017-07-17

Within and across thousands of science labs, researchers and students struggle to manage data produced in experiments, simulations, and analyses. Largely manual research data lifecycle management processes mean that much time is wasted, research results are often irreproducible, and data sharing and reuse remain rare. In response, we propose a new approach to data lifecycle management in which researchers are empowered to define the actions to be performed at individual storage systems when data are created or modified: actions such as analysis, transformation, copying, and publication. We term this approach software-defined cyberinfrastructure because users can implement powerful data management policies by deploying rules to local storage systems, much as software-defined networking allows users to configure networks by deploying rules to switches.We argue that this approach can enable a new class of responsive distributed storage infrastructure that will accelerate research innovation by allowing any researcher to associate data workflows with data sources, whether local or remote, for such purposes as data ingest, characterization, indexing, and sharing. We report on early experiments with this approach in the context of experimental science, in which a simple if-trigger-then-action (IFTA) notation is used to define rules.

[3]tetrahydrotrazodone binding. Association with serotonin binding sites

International Nuclear Information System (INIS)

Kendall, D.A.; Taylor, D.P.; Enna, S.J.

1983-01-01

High (17 nM) and low (603 nM) affinity binding sites for [ 3 ]tetrahydrotrazodone ([ 3 ] THT), a biologically active analogue of trazodone, have been identified in rat brain membranes. The substrate specificity, concentration, and subcellular and regional distributions of these sites suggest that they may represent a component of the serotonin transmitter system. Pharmacological analysis of [ 3 ]THT binding, coupled with brain lesion and drug treatment experiments, revealed that, unlike other antidepressants, [ 3 ] THT does not attach to either a biogenic amine transporter or serotonin binding sites. Rather, it would appear that [ 3 ]THT may be an antagonist ligand for the serotonin binding site. This probe may prove of value in defining the mechanism of action of trazodone and in further characterizing serotonin receptors

Defining Documentary Film

DEFF Research Database (Denmark)

Juel, Henrik

2006-01-01

A discussion of various attemts at defining documentary film regarding form, content, truth, stile, genre or reception - and a propoposal of a positive list of essential, but non-exclusive characteristica of documentary film......A discussion of various attemts at defining documentary film regarding form, content, truth, stile, genre or reception - and a propoposal of a positive list of essential, but non-exclusive characteristica of documentary film...

National Ignition Facility Site Management Plan

International Nuclear Information System (INIS)

Roberts, V.

1997-01-01

The purpose of the NIF Site Management Plan is to describe the roles, responsibilities, and interfaces for the major NIF Project organizations involved in construction of the facility, installation and acceptance testing of special equipment, and the NIF activation. The plan also describes the resolution of priorities and conflicts. The period covered is from Critical Decision 3 (CD3) through the completion of the Project. The plan is to be applied in a stepped manner. The steps are dependent on different elements of the project being passed from the Conventional Facilities (CF) Construction Manager (CM), to the Special Equipment (SE) CMs, and finally to the Activation/ Start-Up (AS) CM. These steps are defined as follows: The site will be coordinated by CF through Project Milestone 310, end of conventional construction. The site is defined as the fenced area surrounding the facility and the CF laydown and storage areas. The building utilities that are installed by CF will be coordinated by CF through the completion of Project Milestone 310, end of conventional construction. The building utilities are defined as electricity, compressed air, de-ionized water, etc. Upon completion of the CF work, the Optics Assembly Building/Laser and Target Area Building (OAB/LTAB) will be fully operational. At that time, an Inertial Confinement Fusion (ICF) Program building coordinator will become responsible for utilities and site activities. * Step 1. Mid-commissioning (temperature stable, +1 degree C) of an area (e.g., Laser Bay 2, OAB) will precipitate the turnover of that area (within the four walls) from CF to SE. * Step 2. Interior to the turned-over space, SE will manage all interactions, including those necessary by CF. * Step 3. As the SE acceptance testing procedures (ATPS) are completed, AS will take over the management of the area and coordinate all interactions necessary by CF and SE. For each step, the corresponding CMs for CF, SE, or AS will be placed in charge of

National Ignition Facility Site Management Plan

Energy Technology Data Exchange (ETDEWEB)

Roberts, V.

1997-09-01

The purpose of the NIF Site Management Plan is to describe the roles, responsibilities, and interfaces for the major NIF Project organizations involved in construction of the facility, installation and acceptance testing of special equipment, and the NIF activation. The plan also describes the resolution of priorities and conflicts. The period covered is from Critical Decision 3 (CD3) through the completion of the Project. The plan is to be applied in a stepped manner. The steps are dependent on different elements of the project being passed from the Conventional Facilities (CF) Construction Manager (CM), to the Special Equipment (SE) CMs, and finally to the Activation/ Start-Up (AS) CM. These steps are defined as follows: The site will be coordinated by CF through Project Milestone 310, end of conventional construction. The site is defined as the fenced area surrounding the facility and the CF laydown and storage areas. The building utilities that are installed by CF will be coordinated by CF through the completion of Project Milestone 310, end of conventional construction. The building utilities are defined as electricity, compressed air, de-ionized water, etc. Upon completion of the CF work, the Optics Assembly Building/Laser and Target Area Building (OAB/LTAB) will be fully operational. At that time, an Inertial Confinement Fusion (ICF) Program building coordinator will become responsible for utilities and site activities. * Step 1. Mid-commissioning (temperature stable, +1{degree}C) of an area (e.g., Laser Bay 2, OAB) will precipitate the turnover of that area (within the four walls) from CF to SE. * Step 2. Interior to the turned-over space, SE will manage all interactions, including those necessary by CF. * Step 3. As the SE acceptance testing procedures (ATPS) are completed, AS will take over the management of the area and coordinate all interactions necessary by CF and SE. For each step, the corresponding CMs for CF, SE, or AS will be placed in charge of

A well-defined silica-supported aluminium alkyl through an unprecedented, consecutive two-step protonolysis–alkyl transfer mechanism

KAUST Repository

Pelletier, Jé ré mie; Espinas, Jeff; Vu, Nghiem; Norsic, Sé bastien; Baudouin, Anne; Delevoye, Laurent; Tré bosc, Julien; Le Roux, Erwan; Santini, Catherine; Basset, Jean-Marie; Gauvin, Ré gis M.; Taoufik, Mostafa

2011-01-01

Impregnation of [(AliBu3)(Et2O)] on partially dehydroxylated SBA-15 affords a mesoporous material bearing the well-defined single site surface aluminium species [(≡SiO)2Al(iBu)(Et 2O)]. © The Royal Society of Chemistry.

Defining Quantum Control Flow

OpenAIRE

Ying, Mingsheng; Yu, Nengkun; Feng, Yuan

2012-01-01

A remarkable difference between quantum and classical programs is that the control flow of the former can be either classical or quantum. One of the key issues in the theory of quantum programming languages is defining and understanding quantum control flow. A functional language with quantum control flow was defined by Altenkirch and Grattage [\\textit{Proc. LICS'05}, pp. 249-258]. This paper extends their work, and we introduce a general quantum control structure by defining three new quantu...

Case Report Kaposi\\'s Sarcoma Of Rare Anatomical Site: A Report ...

African Journals Online (AJOL)

Kaposi's Sarcoma (KS) of unusual sites are commonly associated with immunodeficiency and it is therefore known as one of the AIDS defining tumors. KS of the conjunctiva and traumatized areas of the foot especially the sole are listed as some of the uncommon sites for this tumor. One of the patients developed oral thrush ...

Threshold Assessment: Definition of Acceptable Sites as Part of Site Selection for the Japanese HLW Program

International Nuclear Information System (INIS)

McKenna, S.A.; Wakasugi, Keiichiro; Webb, E.K.; Makino, Hitoshi; Ishihara, Yoshinao; Ijiri, Yuji; Sawada, Atsushi; Baba, Tomoko; Ishiguro, Katsuhiko; Umeki, Hiroyuki

2000-01-01

For the last ten years, the Japanese High-Level Nuclear Waste (HLW) repository program has focused on assessing the feasibility of a basic repository concept, which resulted in the recently published H12 Report. As Japan enters the implementation phase, a new organization must identify, screen and choose potential repository sites. Thus, a rapid mechanism for determining the likelihood of site suitability is critical. The threshold approach, described here, is a simple mechanism for defining the likelihood that a site is suitable given estimates of several critical parameters. We rely on the results of a companion paper, which described a probabilistic performance assessment simulation of the HLW reference case in the H12 report. The most critical two or three input parameters are plotted against each other and treated as spatial variables. Geostatistics is used to interpret the spatial correlation, which in turn is used to simulate multiple realizations of the parameter value maps. By combining an array of realizations, we can look at the probability that a given site, as represented by estimates of this combination of parameters, would be good host for a repository site

Rational Catalyst Design of Titanium-Silica Materials Aided by Site-Specific Titration Tools

Science.gov (United States)

Eaton, Todd Robert

Silica-supported titanium materials are widely used for thermocatalytic applications such as hydroxylation of alkanes and aromatics, oxidation of alcohols and ethers, ammoximation of carbonyls, and sulfoxidations, while Ti-based materials are widely studied for photocatalytic applications such as photo-oxidation of organic substrates and photo-reduction of CO 2. However, the underlying phenomena of how to synthesize, identify, and control the active structures in these materials is not well understood because of the narrow scope of previous work. Studies of titanium-based catalysts typically focus on materials where the metal is present as either highly-dispersed Ti cations or in bulk crystalline TiO2 form, neglecting the numerous and potentially useful intermediate structures. Furthermore, these works typically focus on a single synthesis technique and rely upon bulk characterization techniques to understand the materials. Here rigorous titanium-silica synthesis-structure-function relationships are established by examining several different synthetic method and utilizing characterization techniques that enable an atomic-level understanding of the materials. The materials studied span the range from isolated Ti cations to clustered TiOx domains, polymeric TiO x domains, anatase-like 2D TiO2 domains, and 3D crystalline TiO2. Tools to quantify accessible TiO x and tetrahedral Ti sites are developed, utilizing the selective titration of titanium with phenylphosphonic acid (PPA). Catalytic properties are probed with the photocatalytic oxidation of benzyl alcohol and the thermocatalytic epoxidation of cis-cyclooctene with H2O2 . PPA titration data indicate that the rate of benzyl alcohol photo-oxidation is independent of titanium coordination, while the rate of alkene epoxidation with H2O2 is proportional to the number of tetrahedral titanium sites on the catalyst. PPA titration data also enables the estimation of TiO2 particle size and reveals an important distinction

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

... two indole thiohydrazide arms forming SNONS coordinating sites. NMR and IR spectral studies show that the ligand exists in thioketo form. Each Zn ion in the dinuclear core is in tetrahedral environment with endogenous phenolate bridging and exogenous acetate bridging. The zinc complex in DMF exhibits fluorescence.

Site qualification plan for the Subseabed Disposal Program

International Nuclear Information System (INIS)

Laine, E.P.; Anderson, D.R.; Hollister, C.D.

1983-01-01

In our evolving study to identify and examine sites in subseabed geological formations for use as repositories for high-level nuclear wastes, two primary criteria guide all phases of this work: the stability and barrier criteria of the site. The stability criterion defines areas of the seabed not likely to be disturbed by tectonic forces and oceanographic changes during the lifetime of a waste repository. The barrier criterion defines those subseabed geological formations most likely to form an effective barrier to the release of radionuclides. Because of the large area of the oceans, a phased approach has been adopted so that successively smaller areas of the seafloor can be studied in ever greater detail. The first phase, which is complete, has identified the abyssal clay deposits that are remote from tectonic boundaries and continental margins as being the regions (<10/sup 6/ km/sup 2/) on the seafloor within which acceptable sites might be most readily identified. The second phase involves downgrading less desirable areas within these regions using archived seismic reflection profiling, sediment cores, and oceanographic data. This winnowing process identifies locations about one degree square (≤10/sup 4/ km/sup 2/) for more detailed field studies during the first part of the third phase. From these locations candidate sites will be chosen, based on detailed geological and geophysical surveying. The second part of the third phase will involve detailed monitoring of the candidate sites to determine long-term baseline conditions. After monitoring is underway, a pilot repository will be established, using waste canisters

Well-defined silica-supported zirconium–imido complexes mediated heterogeneous imine metathesis

KAUST Repository

Hamzaoui, Bilel

2016-02-15

Upon prolonged thermal exposure under vacuum, a well-defined single-site surface species [(≡Si-O-)Zr(NEt2)3] (1) evolves into an ethylimido complex [(≡Si-O-)Zr(=NEt)NEt2] (2). Reactions of 2 with an imine substrate result in imido/imine (=NRi, R: Et, Ph) exchange (metathesis) with the formation of [(≡Si-O-)Zr(=NPh)NEt2] (3). Compounds 2 and 3 effectively catalyze imine/imine cross-metathesis and are thus considered as the first heterogeneous catalysts active for imine metathesis. © The Royal Society of Chemistry 2016.

Well-defined silica-supported zirconium–imido complexes mediated heterogeneous imine metathesis

KAUST Repository

Hamzaoui, Bilel; Pelletier, Jeremie; Abou-Hamad, Edy; Basset, Jean-Marie

2016-01-01

Upon prolonged thermal exposure under vacuum, a well-defined single-site surface species [(≡Si-O-)Zr(NEt2)3] (1) evolves into an ethylimido complex [(≡Si-O-)Zr(=NEt)NEt2] (2). Reactions of 2 with an imine substrate result in imido/imine (=NRi, R: Et, Ph) exchange (metathesis) with the formation of [(≡Si-O-)Zr(=NPh)NEt2] (3). Compounds 2 and 3 effectively catalyze imine/imine cross-metathesis and are thus considered as the first heterogeneous catalysts active for imine metathesis. © The Royal Society of Chemistry 2016.

Siting of geological disposal facilities

International Nuclear Information System (INIS)

1994-01-01

Radioactive waste is generated from the production of nuclear energy and from the use of radioactive materials in industrial applications, research and medicine. The importance of safe management of radioactive waste for the protection of human health and the environment has long been recognized and considerable experience has been gained in this field. The Radioactive Waste Safety Standards (RADWASS) programme is the IAEA's contribution to establishing and promoting the basic safety philosophy for radioactive waste management and the steps necessary to ensure its implementation. This Safety Guide defines the process to be used and guidelines to be considered in selecting sites for deep geological disposal of radioactive wastes. It reflects the collective experience of eleven Member States having programmes to dispose of spent fuel, high level and long lived radioactive waste. In addition to the technical factors important to site performance, the Safety Guide also addresses the social, economic and environmental factors to be considered in site selection. 3 refs

Localization of the AP-3 adaptor complex defines a novel endosomal exit site for lysosomal membrane proteins

NARCIS (Netherlands)

Peden, A.A.; Oorschot, V.; Hesser, B.A.; Austin, C.D.; Scheller, R.H.; Klumperman, J.

2004-01-01

The adaptor protein (AP) 3 adaptor complex has been implicated in the transport of lysosomal membrane proteins, but its precise site of action has remained controversial. Here, we show by immuno-electron microscopy that AP-3 is associated with budding profiles evolving from a tubular endosomal

Inverse spinel ZnFe2O4 nanoparticles synthesized by ion implantation and post-annealing: An investigation using X-ray spectroscopy and magneto-transport

International Nuclear Information System (INIS)

Zhou Shengqiang; Potzger, K.; Buerger, D.; Kuepper, K.; Helm, M.; Fassbender, J.; Schmidt, H.

2009-01-01

Noncrystalline ZnFe 2 O 4 has been investigated intensively due to the drastic difference in cation distribution compared with bulk materials. We previously synthesized ZnFe 2 O 4 nanoparticles by ion implantation and post-annealing [S. Zhou, K. Potzger, H. Reuther, G. Talut, F. Eichhorn, J. von Borany, W. Skorupa, M. Helm, J. Fassbender, J. Phys. D - Appl. Phys. 40 (2007) 964]. These ZnFe 2 O 4 nanocrystals are crystallographically oriented inside the ZnO matrix and show a hysteretic behavior upon magnetization reversal at 5 K. Their magnetic properties are explained by assuming that Fe 3+ ions partially occupy tetrahedral sites. In this paper an X-ray spectroscopic and magneto-transport investigation on ZnFe 2 O 4 nanocrystals in a ZnO matrix will be presented. The occupation of Fe 3+ at tetrahedral sites has been directly proved. A positive magnetoresistance (MR) effect is observed and is attributed to ordinary MR.

Drawing the geometry of 3d transition metal-boron pairs in silicon from electron emission channeling experiments

CERN Document Server

Silva, Daniel; Wahl, Ulrich; Martins Correia, Joao; Augustyns, Valerie; De Lemos Lima, Tiago Abel; Granadeiro Costa, Angelo Rafael; David Bosne, Eric; Castro Ribeiro Da Silva, Manuel; Esteves De Araujo, Araujo Joao Pedro; Da Costa Pereira, Lino Miguel

2016-01-01

Although the formation of transition metal-boron pairs is currently well established in silicon processing, the geometry of these complexes is still not completely understood. We investigated the lattice location of the transition metals manganese, iron, cobalt and nickel in n- and p+-type silicon by means of electron emission channeling. For manganese, iron and cobalt, we observed an increase of sites near the ideal tetrahedral interstitial position by changing the doping from n- to p+-type Si. Such increase was not observed for Ni. We ascribe this increase to the formation of pairs with boron, driven by Coulomb interactions, since the majority of iron, manganese and cobalt is positively charged in p+-type silicon while Ni is neutral. We propose that breathing mode relaxation around the boron ion within the pair causes the observed displacement from the ideal tetrahedral interstitial site. We discuss the application of the emission channeling technique in this system and, in particular, how it provides insi...

Atomic-scale study of the amorphous-to-crystalline phase transition mechanism in GeTe thin films

CERN Document Server

Mantovan, R.; Mokhles Gerami, A.; Mølholt, T. E.; Wiemer, C.; Longo, M.; Gunnlaugsson, H. P.; Johnston, K.; Masenda, H.; Naidoo, D.; Ncube, M.; Bharuth-Ram, K.; Fanciulli, M.; Gislason, H. P.; Langouche, G.; Ólafsson, S.; Weyer, G.

The underlying mechanism driving the structural amorphous-to-crystalline transition in Group VI chalcogenides is still a matter of debate even in the simplest GeTe system. We exploit the extreme sensitivity of 57Fe emission Mössbauer spectroscopy, following dilute implantation of 57Mn (T½ = 1.5 min) at ISOLDE/CERN, to study the electronic charge distribution in the immediate vicinity  of the 57Fe probe substituting Ge (FeGe), and to interrogate the local environment of FeGe over the amorphous-crystalline phase transition in GeTe thin films. Our results show that the local structure  of as-sputtered amorphous GeTe is a combination of tetrahedral and defect-octahedral sites. The main effect of the crystallization is the conversion from tetrahedral to defect-free octahedral sites.  We discover that only the tetrahedral fraction in amorphous GeTe participates to the change of the FeGe-Te chemical bond...

Formerly utilized MED/AEC sites Remedial Action Program. Radiological survey of the former Watertown Arsenal property GSA site Watertown, Massachusetts

International Nuclear Information System (INIS)

Wynveen, R.A.; Smith, W.H.; Sholeen, C.M.; Justus, A.L.; Flynn, K.F.

1983-10-01

The complete radiological survey of all the buildings located on the GSA site revealed no contamination. However, significant contamination was found on the site grounds. A total of approximately 6 m 2 of surface area exhibited elevated radiation levels. The area of contamination is centered around Section I (the burn area) and spreads out from this point. The contamination includes the subsurface, descending to the water table at the 6-ft level in some places. The contamination is primarily reprocessed depleted uranium. The ambient radiation level in the vicinity of the contamination as measured with a pressurized ionization chamber is significantly above background levels (up to 18 μR/h). As expected, no significant levels of radon contamination were found in any of the air samples. These levels of contamination of exceed the criteria as defined in ANSI 13.12 and the NRC Guidelines. The ambient radiation levels (up to 18 μR/h) are not in excess of criteria as defined in Appendix 6

Probabilistic Seismic Hazard Assessment Method for Nonlinear Soil Sites based on the Hazard Spectrum of Bedrock Sites

International Nuclear Information System (INIS)

Hahm, Dae Gi; Seo, Jeong Moon; Choi, In Kil

2011-01-01

For the probabilistic safety assessment of the nuclear power plants (NPP) under seismic events, the rational probabilistic seismic hazard estimation should be performed. Generally, the probabilistic seismic hazard of NPP site is represented by the uniform hazard spectrum (UHS) for the specific annual frequency. In most case, since that the attenuation equations were defined for the bedrock sites, the standard attenuation laws cannot be applied to the general soft soil sites. Hence, for the probabilistic estimation of the seismic hazard of soft soil sites, a methodology of probabilistic seismic hazard analysis (PSHA) coupled with nonlinear dynamic analyses of the soil column are required. Two methods are commonly used for the site response analysis considering the nonlinearity of sites. The one is the deterministic method and another is the probabilistic method. In the analysis of site response, there exist many uncertainty factors such as the variation of the magnitude and frequency contents of input ground motion, and material properties of soil deposits. Hence, nowadays, it is recommended that the adoption of the probabilistic method for the PSHA of soft soil deposits considering such uncertainty factors. In this study, we estimated the amplification factor of the surface of the soft soil deposits with considering the uncertainties of the input ground motions and the soil material properties. Then, we proposed the probabilistic methodology to evaluate the UHS of the soft soil site by multiplying the amplification factor to that of the bedrock site. The proposed method was applied to four typical target sites of KNGR and APR1400 NPP site categories

Defining and determining the significance of impacts: concepts and methods

International Nuclear Information System (INIS)

Christensen, S.W.; Van Winkle, W.; Mattice, J.S.

1975-01-01

The term impact is conceptually and mathematically defined to be the difference in the state or value of an ecosystem with versus without the source of impact. Some resulting problems associated with the measurement of impacts based on comparisons of baseline and operational data are discussed briefly. The concept of a significant adverse impact on a biological system is operationally defined in terms of an adverse impact which, according to a proposed decision-tree, justifies rejection of a project or a change in its site, design, or mode of operation. A gradient of increasing difficulty in the prediction of impacts exists as the scope of the assessment is expanded to consider long-term, far-field impacts with respect to higher levels of biological organization (e.g., communities or ecosystems). The analytical methods available for predicting short-term, near-field impacts are discussed. Finally, the role of simulation modeling as an aid to professional judgment in predicting the long-term, far-field consequences of impacts is considered, and illustrated with an example. (U.S.)

Homology building as a means to define antigenic epitopes on dihydrofolate reductase (DHFR) from Plasmodium falciparum

DEFF Research Database (Denmark)

Alifrangis, Michael; Christensen, Inge T; Jørgensen, Flemming S

2004-01-01

in the gene coding for Pf-DHFR. Furthermore, we wanted to study the potential use of homology models in general and of Pf-DHFR in particular in predicting antigenic malarial surface epitopes. METHODS: A homology model of Pf-DHFR domain was employed to define an epitope for the development of site...

Site study plan for regional hydrologic sampling and monitoring: Preliminary draft

International Nuclear Information System (INIS)

Dutton, A.R.

1987-01-01

The purpose of the Regional Hydrologic Studies Plan is to describe those field activities required for completion of the objectives of hydrologic activities. Many of these activities are regional in scope and are designed to provide a framework for understanding the hydrologic setting of the site and the hydrologic processes that influence site characteristics. Site Study Plans (SSPs) define activates at and in the immediate vicinity of the site. The activities specified in the Regional Hydrologic Studies Plan are performed beyond the confines of the site because the hydrologic systems extend beyond the site boundaries, because pertinent data that bear on site suitability are available outside of the site, and because natural analogues exist outside of the site that allow analysis of processes that are expected to operate within the site. 15 refs., 5 figs., 1 tab

SITE-94. Scenario development FEP audit list preparation: methodology and presentation

International Nuclear Information System (INIS)

Stenhouse, M.; Chapman, N.; Sumerling, T.

1993-04-01

This report concerns a study which is part of the SKI performance assessment project SITE-94. SITE-94 is a performance assessment of a hypothetical repository at a real site. The main objective of the project is to determine how site specific data should be assimilated into the performance assessment process and to evaluate how uncertainties inherent in site characterization will influence performance assessment results. Other important elements of SITE-94 are the development of a practical and defensible methodology for defining, constructing and analyzing scenarios, the development of approaches for treatment of uncertainties , evaluation of canister integrity, and the development and application of an appropriate quality assurance plan for performance assessments

Development of a comprehensive management site evaluation methodology

International Nuclear Information System (INIS)

Rodgers, J.C.; Onishi, Y.

1981-01-01

The Nuclear Regulatory Commission is in the process of preparing regulations that will define the necessary conditions for adequate disposal of low-level waste (LLW) by confinement in an LLW disposal facility. These proposed regulations form the context in which the motivation for the joint Los Alamos National Laboratory Battelle Pacific Northwest Laboratory program to develop a site-specific, LLW site evaluation methodology is discussed. The overall effort is divided into three development areas: land-use evaluation, environmental transport modelling, and long term scenario development including long-range climatology projections. At the present time four steps are envisioned in the application of the methodology to a site: site land use suitability assessment, land use-ecosystem interaction, contaminant transport simulation, and sensitivity analysis. Each of these steps is discussed in the paper. 12 refs

Solid-state nuclear magnetic resonance studies of phosphorus and boron in coals and combustion residues

Energy Technology Data Exchange (ETDEWEB)

Burchill, P.; Howarth, O.W.; Richards, D.G.; Sword, B.J. (British Coal Corporation, Stoke Orchard (UK). Coal Research Establishment)

1990-04-01

Solid-state nuclear magnetic resonance spectroscopy with magic angle spinning (MAS-n.m.r.) was used to study the occurrence of phosphorus and boron in coal, and their fate on combustion. These elements are only minor components of coal, but may significantly influence the utilization properties. {sup 31} P MAS-n.m.r. spectroscopy has confirmed that phosphorus is present in coal predominantly as apatite. This mineral is thermally stable under oxidizing conditions, and survives largely unaltered in high temperature ashes. However, under the semi-reducing bed conditions of certain stoker-fired boilers, it may be decomposed, volatilizing the phosphorus. The {sup 31}P MAS-n.m.r. spectra of bonded deposits show phosphorus in a markedly different coordination environment to that in apatite, the chemical shift suggesting aluminium phosphate or boron phosphate. {sup 11}B MAS-n.m.r. spectra of coals exhibit resonances due to both trigonal and tetrahedrally coordinated boron. Trigonal boron is probably present as tourmaline, but the nature of the tetrahedral boron is less certain; it may be held in tetrahedral sites within certain clay minerals. In common with phosphorus, boron may be volatilized during combustion. The {sup 11}B MAS-n.m.r. spectra of bonded deposits show a tetrahedral resonance with a chemical shift quite consistent with that of boron phosphate. 39 refs., 9 figs., 5 tabs.

Geospatial Optimization of Siting Large-Scale Solar Projects

Energy Technology Data Exchange (ETDEWEB)

Macknick, Jordan [National Renewable Energy Lab. (NREL), Golden, CO (United States); Quinby, Ted [National Renewable Energy Lab. (NREL), Golden, CO (United States); Caulfield, Emmet [Stanford Univ., CA (United States); Gerritsen, Margot [Stanford Univ., CA (United States); Diffendorfer, Jay [U.S. Geological Survey, Boulder, CO (United States); Haines, Seth [U.S. Geological Survey, Boulder, CO (United States)

2014-03-01

Recent policy and economic conditions have encouraged a renewed interest in developing large-scale solar projects in the U.S. Southwest. However, siting large-scale solar projects is complex. In addition to the quality of the solar resource, solar developers must take into consideration many environmental, social, and economic factors when evaluating a potential site. This report describes a proof-of-concept, Web-based Geographical Information Systems (GIS) tool that evaluates multiple user-defined criteria in an optimization algorithm to inform discussions and decisions regarding the locations of utility-scale solar projects. Existing siting recommendations for large-scale solar projects from governmental and non-governmental organizations are not consistent with each other, are often not transparent in methods, and do not take into consideration the differing priorities of stakeholders. The siting assistance GIS tool we have developed improves upon the existing siting guidelines by being user-driven, transparent, interactive, capable of incorporating multiple criteria, and flexible. This work provides the foundation for a dynamic siting assistance tool that can greatly facilitate siting decisions among multiple stakeholders.

Groundwater monitoring strategies at the Weldon Spring site, Weldon Spring, Missouri

International Nuclear Information System (INIS)

Meyer, K.A. Jr.

1988-01-01

This paper presents groundwater monitoring strategies at the Weldon Spring Site in east-central Missouri. The Weldon Spring Site is former ordnance works and uranium processing facility. In 1987, elevated levels of inorganic anions and nitroaromatics were detected in groundwater beneath the site. Studies are currently underway to characterize the hydrogeologic regime and to define groundwater contamination. The complex hydrogeology at the Weldon Spring Site requires innovative monitoring strategies. Combinations of fracture and conduit flow exist in the limestone bedrock. Perched zones are also present near surface impoundments. Losing streams and springs surround the site. Confronting this complex combination of hydrogeologic conditions is especially challenging

Effectiveness evaluation of alternative fixed-site safeguard security systems

International Nuclear Information System (INIS)

Chapman, L.D.

1976-01-01

An evaluation of a fixed-site physical protection system must consider the interrelationships of barriers, alarms, on-site and off-site guards, and their effectiveness against a forcible adversary attack intent on creating an act of sabotage of theft. A computer model, Forcible Entry Safeguard Effectiveness Model (FESEM), was developed for the evaluation of alternative fixed-site protection systems. It was written in the GASP IV simulation language. A hypothetical fixed-state protection system is defined and relative evaluations from a cost-effectiveness point of view are presented in order to demonstrate how the model can be used. Trade-offs involving on-site and off-site response forces and response times, perimeter system alarms, barrier configurations, and varying levels of threat are analyzed. The computer model provides a framework for performing inexpensive experiments on fixed-site security systems, for testing alternative decisions, and for determining the relative cost effectiveness associated with these decision policies

Site directed mutagenesis of amino acid residues at the active site of mouse aldehyde oxidase AOX1.

Directory of Open Access Journals (Sweden)

Silvia Schumann

Full Text Available Mouse aldehyde oxidase (mAOX1 forms a homodimer and belongs to the xanthine oxidase family of molybdoenzymes which are characterized by an essential equatorial sulfur ligand coordinated to the molybdenum atom. In general, mammalian AOs are characterized by broad substrate specificity and an yet obscure physiological function. To define the physiological substrates and the enzymatic characteristics of mAOX1, we established a system for the heterologous expression of the enzyme in Escherichia coli. The recombinant protein showed spectral features and a range of substrate specificity similar to the native protein purified from mouse liver. The EPR data of recombinant mAOX1 were similar to those of AO from rabbit liver, but differed from the homologous xanthine oxidoreductase enzymes. Site-directed mutagenesis of amino acids Val806, Met884 and Glu1265 at the active site resulted in a drastic decrease in the oxidation of aldehydes with no increase in the oxidation of purine substrates. The double mutant V806E/M884R and the single mutant E1265Q were catalytically inactive enzymes regardless of the aldehyde or purine substrates tested. Our results show that only Glu1265 is essential for the catalytic activity by initiating the base-catalyzed mechanism of substrate oxidation. In addition, it is concluded that the substrate specificity of molybdo-flavoenzymes is more complex and not only defined by the three characterized amino acids in the active site.

Ultrasonographic visualization of bleeding sites can help control postpartum hemorrhage using intrauterine balloon tamponade.

Science.gov (United States)

Kondoh, Eiji; Konishi, Mitsunaga; Kariya, Yoshitaka; Konishi, Ikuo

2015-01-01

Identification of precise bleeding sites is generally important to control hemorrhage. Nevertheless, the optimal technique to detect the bleeding sites has not yet been fully defined for patients with life-threatening post partum hemorrhage. We describe that ultrasonographic visualization of bleeding sites can help control post partum hemorrhage using intrauterine balloon tamponade. © 2014 Wiley Periodicals, Inc.

Assessment of Soil Erosion Methods for Sludge Recovery, Savannah River Site

National Research Council Canada - National Science Library

Smith, Lawson

1997-01-01

...) from selected storage tanks at the Savannah River Site (SRS) was assessed conceptually. Soil erosion methods are defined as the processes of soil detachment, entrainment, transport, and deposition...

Écrire et penser un site. Le site d'histoire sociale de l'ENS, naissance et développement

OpenAIRE

Rygiel, Philippe

1999-01-01

We describe here the birth and growth of a social history web-site, created in 1996 at the École Normale Supérieure. We try to define the context of its creation, the readership it attracted and the use of it for the research group that created it.; Ce récit de pratiques est consacré à la naissance et à la croissance d'un site web savant d'histoire sociale, né en 1996 à l'École Normale Supérieure. Il revient sur les circonstances de sa création et tente une évaluation de ses usages.

Evolution of structural and optical properties in the course of thermal evolution of sol-gel derived cobalt-doped gahnite

International Nuclear Information System (INIS)

Kurajica, S.; Tkalcec, E.; Grzeta, B.; Ivekovic, D.; Mandic, V.; Popovic, J.; Kranzelic, D.

2011-01-01

Research highlights: → Distribution of Co 2+ ions in zinc cobalt aluminate lattice seats depend on Co loading. The green color of samples at lower temperatures is a consequence of partial oxidation of Co 2+ ions and their accommodation in octahedral sites. Thermal treatment at higher temperatures promotes gradual change of color to blue, characteristic for tetrahedrally coordinated Co 2+ ions. The spectra evolution could be interpreted as a progressive reduction of Co 3+ to Co 2+ ions at higher temperatures. - Abstract: Thermal evolution of sol-gel derived gahnite (ZnAl 2 O 4 ) with 4, 8 and 12 at.% of Zn replaced with Co was studied by thermal analysis techniques (DTA/TGA), X-ray diffraction (XRD) and UV-vis diffuse reflectance spectroscopy (DRS). Zinc-cobalt spinel powders were produced by gel heat treatment at temperatures as low as 400 o C. Crystal structure was characterized using Rietveld refinement of X-ray diffraction patterns for the samples annealed at 800 o C, simultaneously with the analysis of diffraction line broadening. It was found out that the distribution of Co 2+ ions in tetrahedral and octahedral sites of zinc cobalt aluminate crystal lattice, crystallite size and lattice strain depend on Co loading. The green color of samples thermally treated at T 2+ ions at lower temperatures and accommodation of Co 3+ ions in octahedral sites. Thermal treatment at higher temperatures promote gradual change of color from green to blue, characteristic for tetrahedrally coordinated Co 2+ ions. The spectra evolution could be interpreted as a progressive reduction of Co 3+ to Co 2+ ions at higher temperatures.

Evaluating the potential of process sites for waste heat recovery

International Nuclear Information System (INIS)

Oluleye, Gbemi; Jobson, Megan; Smith, Robin; Perry, Simon J.

2016-01-01

Highlights: • Analysis considers the temperature and duties of the available waste heat. • Models for organic Rankine cycles, absorption heat pumps and chillers proposed. • Exploitation of waste heat from site processes and utility systems. • Concept of a site energy efficiency introduced. • Case study presented to illustrate application of the proposed methodology. - Abstract: As a result of depleting reserves of fossil fuels, conventional energy sources are becoming less available. In spite of this, energy is still being wasted, especially in the form of heat. The energy efficiency of process sites (defined as useful energy output per unit of energy input) may be increased through waste heat utilisation, thereby resulting in primary energy savings. In this work, waste heat is defined and a methodology developed to identify the potential for waste heat recovery in process sites; considering the temperature and quantity of waste heat sources from the site processes and the site utility system (including fired heaters and, the cogeneration, cooling and refrigeration systems). The concept of the energy efficiency of a site is introduced – the fraction of the energy inputs that is converted into useful energy (heat or power or cooling) to support the methodology. Furthermore, simplified mathematical models of waste heat recovery technologies using heat as primary energy source, including organic Rankine cycles (using both pure and mixed organics as working fluids), absorption chillers and absorption heat pumps are developed to support the methodology. These models are applied to assess the potential for recovery of useful energy from waste heat. The methodology is illustrated for an existing process site using a case study of a petroleum refinery. The energy efficiency of the site increases by 10% as a result of waste heat recovery. If there is an infinite demand for recovered energy (i.e. all the recoverable waste heat sources are exploited), the site

It takes two to tango: defining an essential second active site in pyridoxal 5'-phosphate synthase.

Directory of Open Access Journals (Sweden)

Cyril Moccand

Full Text Available The prevalent de novo biosynthetic pathway of vitamin B6 involves only two enzymes (Pdx1 and Pdx2 that form an ornate multisubunit complex functioning as a glutamine amidotransferase. The synthase subunit, Pdx1, utilizes ribose 5-phosphate and glyceraldehyde 3-phosphate, as well as ammonia derived from the glutaminase activity of Pdx2 to directly form the cofactor vitamer, pyridoxal 5'-phosphate. Given the fact that a single enzyme performs the majority of the chemistry behind this reaction, a complicated mechanism is anticipated. Recently, the individual steps along the reaction co-ordinate are beginning to be unraveled. In particular, the binding of the pentose substrate and the first steps of the reaction have been elucidated but it is not known if the latter part of the chemistry, involving the triose sugar, takes place in the same or a disparate site. Here, we demonstrate through the use of enzyme assays, enzyme kinetics, and mutagenesis studies that indeed a second site is involved in binding the triose sugar and moreover, is the location of the final vitamin product, pyridoxal 5'-phosphate. Furthermore, we show that product release is triggered by the presence of a PLP-dependent enzyme. Finally, we provide evidence that a single arginine residue of the C terminus of Pdx1 is responsible for coordinating co-operativity in this elaborate protein machinery.

Efficient Construction of Well-Defined Multicompartment Porous Systems in a Modular and Chemically Orthogonal Fashion.

Science.gov (United States)

Gao, Ning; Tian, Tian; Cui, Jiecheng; Zhang, Wanlin; Yin, Xianpeng; Wang, Shiqiang; Ji, Jingwei; Li, Guangtao

2017-03-27

A microfluidic assembly approach was developed for efficiently producing hydrogel spheres with reactive multidomains that can be employed as an advantageous platform to create spherical porous networks in a facile manner with well-defined multicompartments and spatiotemporally controlled functions. This strategy allows for not only large scale fabrication of various robust hydrogel microspheres with controlled size and porosity, but also the domains embedded in hydrogel network could be introduced in a modular manner. Additionally, the number of different domains and their ratio could be widely variable on demand. More importantly, the reactive groups distributed in individual domains could be used as anchor sites to further incorporate functional units in an orthogonal fashion, leading to well-defined multicompartment systems. The strategy provides a new and efficient route to construct well-defined functional multicompartment systems with great flexibility and extendibility. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Preparation of Radwaste Disposal Site in Jawa Island and Its Surrounding Areas

International Nuclear Information System (INIS)

Budi Setiawan; Teddy Sumantry; Heru Sriwahyuni; Hendra A Pratama; Nurul Efri E; Achmad Sjarmufni; Pratomo Budiman; Dadang Suganda; Soegeng Waluyo; Ari Pudyo; Dewi Susilowati; Marwoto

2008-01-01

The task continuation and national needs indicate the important of starting for radioactive waste disposal preparation. As the IAEA procedures for the first step are to accomplished the conceptual and planning stage of radwaste disposal siting in Jawa island. Within the plan, the Milestone, the site important factors, the potential host rock, the possible areas, the aims and the investigation programs have been defined. From the procedures which are followed hopefully in the end of the activities, suitable site(s) to be able selected for radioactive waste disposal facility in near future. (author)

Health survey on cancers about the Tricastin nuclear site; Etude sanitaire sur les cancers autour du site nucleaire du Tricastin

Energy Technology Data Exchange (ETDEWEB)

NONE

2010-07-01

This survey aims at describing the health status of the population around the Tricastin site, and more particularly at determining whether there is a difference between death or cancer occurrence frequencies observed around this site with respect to reference frequencies. It does not aim at assessing the health impact of the site industrial installations. Cancer mortality data, cancer diagnosis data, demographic data, child cancer data, data related to hospital stays in relationship with cancer, long duration hospital stay data, and mortality data are used. Several indicators are defined and used: standardised mortality ratio, standardised hospitalisation ratio. Data are also analysed in terms of location, and socio-demographic categories. It appears that there is no specific health situation for the considered area, except for pancreas cancer for women

Early Site Permit Demonstration Program: Regulatory criteria evaluation report

Energy Technology Data Exchange (ETDEWEB)

1993-03-01

The primary objective of the ESPDP is to demonstrate successfully the use of 10CFR52 to obtain ESPs for one or more US sites for one (or more) ALWR nuclear power plants. It is anticipated that preparation of the ESP application and interaction with NRC during the application review process will result not only in an ESP for the applicant(s) but also in the development of criteria and definition of processes, setting the precedent that facilitates ESPs for subsequent ESP applications. Because siting regulatory processes and acceptance criteria are contained in over 100 separate documents, comprehensive licensing and technical reviews were performed to establish whether the requirements and documentation are self-consistent, whether the acceptance criteria are sufficiently well-defined and clear, and whether the licensing process leading to the issuance of an ESP is unambiguously specified. The results of the technical and licensing evaluations are presented in this report. The purpose, background, and organization of the ESPDP is delineated in Section 1. Section 11 contains flowcharts defining siting application requirements, environmental report requirements, and emergency planning/preparedness requirements for ALWRS. The licensing and technical review results are presented in Section III.

Early Site Permit Demonstration Program: Regulatory criteria evaluation report

International Nuclear Information System (INIS)

1993-03-01

The primary objective of the ESPDP is to demonstrate successfully the use of 10CFR52 to obtain ESPs for one or more US sites for one (or more) ALWR nuclear power plants. It is anticipated that preparation of the ESP application and interaction with NRC during the application review process will result not only in an ESP for the applicant(s) but also in the development of criteria and definition of processes, setting the precedent that facilitates ESPs for subsequent ESP applications. Because siting regulatory processes and acceptance criteria are contained in over 100 separate documents, comprehensive licensing and technical reviews were performed to establish whether the requirements and documentation are self-consistent, whether the acceptance criteria are sufficiently well-defined and clear, and whether the licensing process leading to the issuance of an ESP is unambiguously specified. The results of the technical and licensing evaluations are presented in this report. The purpose, background, and organization of the ESPDP is delineated in Section 1. Section 11 contains flowcharts defining siting application requirements, environmental report requirements, and emergency planning/preparedness requirements for ALWRS. The licensing and technical review results are presented in Section III

Languages for Software-Defined Networks

Science.gov (United States)

2013-02-01

switches, firewalls, and middleboxes) with closed and proprietary configuration inter- faces. Software - Defined Networks ( SDN ) are poised to change...how- ever, have seen growing interest in software - defined networks ( SDNs ), in which a logically-centralized controller manages the packet-processing...switches, firewalls, and middleboxes) with closed and proprietary configuration interfaces. Software - Defined Networks ( SDN ) are poised to change this

Crystal structure of cathepsin A, a novel target for the treatment of cardiovascular diseases

Energy Technology Data Exchange (ETDEWEB)

Schreuder, Herman A., E-mail: herman.schreuder@sanofi.com; Liesum, Alexander, E-mail: alexander.liesum@sanofi.com; Kroll, Katja, E-mail: katja.kroll@sanofi.com; Böhnisch, Britta, E-mail: britta.boehnisch@sanofi.com; Buning, Christian, E-mail: christian.buning@sanofi.com; Ruf, Sven, E-mail: sven.ruf@sanofi.com; Sadowski, Thorsten, E-mail: thorsten.sadowski@sanofi.com

2014-03-07

Graphical abstract: - Highlights: • The structures of active cathepsin A and the inactive precursor are very similar. • The only major difference is the absence of a 40 residue activation domain. • The termini of the active catalytic core are held together by a disulfide bond. • Compound 1 reacts with the catalytic Ser150, building a tetrahedral intermediate. • Compound 2 is cleaved by the enzyme and a fragment remained bound. - Abstract: The lysosomal serine carboxypeptidase cathepsin A is involved in the breakdown of peptide hormones like endothelin and bradykinin. Recent pharmacological studies with cathepsin A inhibitors in rodents showed a remarkable reduction in cardiac hypertrophy and atrial fibrillation, making cathepsin A a promising target for the treatment of heart failure. Here we describe the crystal structures of activated cathepsin A without inhibitor and with two compounds that mimic the tetrahedral intermediate and the reaction product, respectively. The structure of activated cathepsin A turned out to be very similar to the structure of the inactive precursor. The only difference was the removal of a 40 residue activation domain, partially due to proteolytic removal of the activation peptide, and partially by an order–disorder transition of the peptides flanking the removed activation peptide. The termini of the catalytic core are held together by the Cys253–Cys303 disulfide bond, just before and after the activation domain. One of the compounds we soaked in our crystals reacted covalently with the catalytic Ser150 and formed a tetrahedral intermediate. The other compound got cleaved by the enzyme and a fragment, resembling one of the natural reaction products, was found in the active site. These studies establish cathepsin A as a classical serine proteinase with a well-defined oxyanion hole. The carboxylate group of the cleavage product is bound by a hydrogen-bonding network involving one aspartate and two glutamate side chains

High-definition mapping of retroviral integration sites defines the fate of allogeneic T cells after donor lymphocyte infusion.

Directory of Open Access Journals (Sweden)

Claudia Cattoglio

2010-12-01

Full Text Available The infusion of donor lymphocytes transduced with a retroviral vector expressing the HSV-TK suicide gene in patients undergoing hematopoietic stem cell transplantation for leukemia/lymphoma promotes immune reconstitution and prevents infections and graft-versus-host disease. Analysis of the clonal dynamics of genetically modified lymphocytes in vivo is of crucial importance to understand the potential genotoxic risk of this therapeutic approach. We used linear amplification-mediated PCR and pyrosequencing to build a genome-wide, high-definition map of retroviral integration sites in the genome of peripheral blood T cells from two different donors and used gene expression profiling and bioinformatics to associate integration clusters to transcriptional activity and to genetic and epigenetic features of the T cell genome. Comparison with matched random controls and with integrations obtained from CD34(+ hematopoietic stem/progenitor cells showed that integration clusters occur within chromatin regions bearing epigenetic marks associated with active promoters and regulatory elements in a cell-specific fashion. Analysis of integration sites in T cells obtained ex vivo two months after infusion showed no evidence of integration-related clonal expansion or dominance, but rather loss of cells harboring integration events interfering with RNA post-transcriptional processing. The study shows that high-definition maps of retroviral integration sites are a powerful tool to analyze the fate of genetically modified T cells in patients and the biological consequences of retroviral transduction.

Theoretical study of hydrogen storage in metal hydrides.

Science.gov (United States)

Oliveira, Alyson C M; Pavão, A C

2018-05-04

Adsorption, absorption and desorption energies and other properties of hydrogen storage in palladium and in the metal hydrides AlH 3 , MgH 2 , Mg(BH 4 ) 2 , Mg(BH 4 )(NH 2 ) and LiNH 2 were analyzed. The DFT calculations on cluster models show that, at a low concentration, the hydrogen atom remains adsorbed in a stable state near the palladium surface. By increasing the hydrogen concentration, the tetrahedral and the octahedral sites are sequentially occupied. In the α phase the tetrahedral site releases hydrogen more easily than at the octahedral sites, but the opposite occurs in the β phase. Among the hydrides, Mg(BH 4 ) 2 shows the highest values for both absorption and desorption energies. The absorption energy of LiNH 2 is higher than that of the palladium, but its desorption energy is too high, a recurrent problem of the materials that have been considered for hydrogen storage. The release of hydrogen, however, can be favored by using transition metals in the material structure, as demonstrated here by doping MgH 2 with 3d and 4d-transition metals to reduce the hydrogen atomic charge and the desorption energy.

Tetra-μ3-iodido-tetrakis[(tri-n-butylphosphane-κPcopper(I

Directory of Open Access Journals (Sweden)

Simon Klenk

2014-04-01

Full Text Available The title complex, [Cu4I4(C12H27P4], crystallizes with six molecules in the unit cell and with three independent one-third molecule fragments, completed by application of the relevant symmetry operators, in the asymmetric unit. The tetranuclear copper core shows a tetrahedral geometry (site symmetry 3... The I atoms also form a tetrahedron, with I...I distances of 4.471 (1 Å. Both tetrahedra show an orientation similar to that of a pair of self-dual platonic bodies. The edges of the I-tetrahedral structure are capped to the face centers of the Cu-tetrahedron and vice versa. The Cuface...I distances are 2.18 Å (averaged and the Iface...Cu distances are 0.78 Å (averaged. As a geometric consequence of these properties there are eight distorted trigonal–bipyramidal polyhedra evident, wherein each trigonal face builds up the equatorial site and the opposite Cu...I positions form the axial site. As expected, the n-butyl moieties are highly flexible, resulting in large elongations of their anisotropic displacement parameters. Some C atoms of the n-butyl groups were needed to fix alternative discrete disordered positions.

Site Response Analysis Using DeepSoil: Case Study of Bangka Site, Indonesia

Energy Technology Data Exchange (ETDEWEB)

Iswanto, Eko Rudi; Yee, Eric [KEPCO International Nuclear Graduate School, Ulsan (Korea, Republic of)

2015-10-15

Indonesia government declared through Act No. 17 year 2007 on the National Long-Term Development Plant Year 2005-2025 and Presidential Decree No. 5 year 2006 on the National Energy Policy (Indonesia 2007; Indonesia 2006), that nuclear energy is stated as a part of the national energy system. In order to undertake the above national policy, National Nuclear Energy Agency of Indonesia, as the promotor for the utilization of nuclear energy will conduct site study, which is a part of infrastructure preparation for NPP construction. Thorough preparation and steps are needed to operate an NPP and it takes between 10 to 15 years from the preliminary study (site selection, financial study, etc.) up to project implementation (manufacturing, construction, commissioning). During project implementation, it is necessary to prepare various documents relevant for permit application such as Safety Evaluation Report for site permit, Preliminary Safety Analysis Report and Environment Impact Assessment Report for construction permit. Considering the continuously increasing electricity energy demand, it is necessary to prepare for alternative NPP sites. The safety requirements of NPP's are stringent; amongst the various requirements is the ability to safely shut down in the wake of a possible earthquake. Ground response analysis of a potential site therefore needs to be carried out, parameter that affect the resistance of an NPP to earthquakes such as peak strain profiles is analysed. The objective of this paper is to analyse the ground response of the selected site for a NPP, using The Mw 7.9 in Sikuai Island, West Sumatra on September 12, 2007 as present input motion. This analysis will be carried out using a ground response analysis program, DeepSoil. In addition to this, an attempt was made to define the site specific input motion characteristics of the selected site for use in DeepSoil (DeepSoil 5.0). A site investigation at the WB site was performed primarily on the PS

Nevada Test Site Site Treatment Plan. Revision 2

International Nuclear Information System (INIS)

1996-03-01

Treatment Plans (STPS) are required for facilities at which the US Department of Energy (DOE) or stores mixed waste, defined by the Federal Facility Compliance Act (FFCAct) as waste containing both a hazardous waste subject to the Resource Conservation and Recovery Act and a radioactive material subject to the Atomic Energy Act. On April 6, 1993, DOE published a Federal Register notice (58 FR 17875) describing its proposed process for developing the STPs in three phases including a Conceptual, a Draft, and a Proposed Site Treatment Plan (PSTP). All of the DOE Nevada Operations Office STP iterations have been developed with the state of Nevada's input. The options and schedules reflect a ''bottoms-up'' approach and have been evaluated for impacts on other DOE sites, as well as impacts to the overall DOE program. Changes may have occurred in the preferred option and associated schedules between the PSTP, which was submitted to the state of Nevada and US Environmental Protection Agency April 1995, and the Final STP (hereafter referred to as the STP) as treatment evaluations progressed. The STP includes changes that have occurred since the submittal of the PSTP as a result of state-to-state and DOE-to-state discussions

Characterization of natural bentonite by NMR

International Nuclear Information System (INIS)

Leite, Sidnei Q.M.; Dieguez, Lidia C.; Menezes, Sonia M.C.; San Gil, Rosane A.S.

1993-01-01

Solid state NMR as well as several other instrumental chemical analysis techniques were used in order to characterize two natural occurring bentonite. The methodology is described. The NMR spectra, together with the other used techniques suggest that the observed differences are due to iron inclusions in tetrahedral and octahedral sites

Work plan for defining a standard inventory estimate for wastes stored in Hanford Site underground tanks

International Nuclear Information System (INIS)

Hodgson, K.M.

1996-01-01

This work plan addresses the Standard Inventory task scope, deliverables, budget, and schedule for fiscal year 1997. The goal of the Standard Inventory task is to resolve differences among the many reported Hanford Site tank waste inventory values and to provide inventory estimates that will serve as Standard Inventory values for all waste management and disposal activities. These best-basis estimates of chemicals and radionuclides will be reported on both a global and tank-specific basis and will be published in the Tank Characterization Database

Database on radioecological situation in Semipalatinsk nuclear test site

International Nuclear Information System (INIS)

Turkebaev, T.Eh.; Kislitsin, S.B.; Lopuga, A.D.; Kuketaev, A.T.; Kikkarin, S.M.

1999-01-01

One of the main objectives of the National Nuclear Center of the Republic of Kazakstan is to define radioecological situation in details, conduct a continuous monitoring and eliminate consequences of nuclear explosions at Semipalatinsk nuclear test site. Investigations of Semipalatinsk nuclear test site area contamination by radioactive substances and vindication activity are the reasons for development of computer database on radioecological situation of the test site area, which will allow arranging and processing the available and entering information about the radioecological situation, assessing the effect of different testing factors on the environment and health of the Semipalatinsk nuclear test site area population.The described conception of database on radioecological situation of the Semipalatinsk nuclear test site area cannot be considered as the final one. As new information arrives, structure and content of the database is updated and optimized. New capabilities and structural elements may be provided if new aspects in Semipalatinsk nuclear test site area contamination study (air environment study, radionuclides migration) arise

Isotope mixtures of hydrogen in vanadium

International Nuclear Information System (INIS)

Mecking-Schloetensack, P.

1982-03-01

The properties of isotope-mixtures of Protium and Deuterium stored in Vanadium have been studied. Protium and Deuterium are existing as interstitial-atoms on tetrahedral sites as well as on octahedral sites in this system. This feature leads to large isotopic-effects between the two isotopes. The dependence of the thermodynamic functions like heat of solution, nonconfigurational entropy, specific heat and ordering temperatures from the composition of the isotope-mixture has been determined. (orig.)

Closure Strategy Nevada Test Site Area 5 Radioactive Waste Management Site

Energy Technology Data Exchange (ETDEWEB)

NSTec Environmental Management

2007-03-01

This paper presents an overview of the strategy for closure of part of the Area 5 Radioactive Waste Management Site (RWMS) at the Nevada Test Site (NTS), which is about 65 miles northwest of Las Vegas, Nevada (Figure 1). The Area 5 RWMS is in the northern part of Frenchman Flat, approximately 14 miles north of Mercury. The Area 5 RWMS encompasses 732 acres subdivided into quadrants, and is bounded by a 1,000-foot (ft)-wide buffer zone. The northwest and southwest quadrants have not been developed. The northeast and southeast quadrants have been used for disposal of unclassified low-level radioactive waste (LLW) and indefinite storage of classified materials. This paper focuses on closure of the 38 waste disposal and classified material storage units within the southeast quadrant of the Area 5 RWMS, called the ''92-Acre Area''. The U.S Department of Energy (DOE), National Nuclear Security Administration Nevada Site Office (NNSA/NSO) is currently planning to close the 92-Acre Area by 2011. Closure planning for this site must take into account the regulatory requirements for a diversity of waste streams, disposal and storage configurations, disposal history, and site conditions. For ease of discussion, the 92-Acre Area has been subdivided into six closure units defined by waste type, location, and similarity in regulatory requirements. Each of the closure units contains one or more waste disposal units; waste disposal units are also called waste disposal cells. The paper provides a brief background of the Area 5 RWMS, identifies key closure issues for the 92-Acre Area, recommends actions to address the issues, and provides the National Security Technologies, LLC (NSTec), schedule for closure.

Environmental Assessment of Ground Water Compliance at the Gunnison, Colorado, UMTRA Project Site

International Nuclear Information System (INIS)

2002-01-01

The U.S. Department of Energy (DOE) is in the process of selecting a ground water compliance strategy for the Gunnison, Colorado, Uranium Mill Tailings Remedial Action (UMTRA) Project site. This Environmental Assessment (EA) discusses two alternatives and the effects associated with each. The two alternatives are (1) natural flushing coupled with institutional controls and continued monitoring and (2) no action. The compliance strategy must meet U.S. Environmental Protection Agency (EPA) ground water standards defined in Title 40 ''Code of Federal Regulations'' Part 192, Subpart B, in areas where ground water beneath and around the site is contaminated as a result of past milling operations. It has been determined that contamination in the ground water at the Gunnison site consists of soluble residual radioactive material (RRM) as defined in the Uranium Mill Tailings Radiation Control Act (UMTRCA)

Ground water monitoring strategies at the Weldon Spring Site, Weldon Spring, Missouri

International Nuclear Information System (INIS)

Meyer, K.A. Jr.

1988-01-01

This paper presents ground water monitoring strategies at the Weldon Spring Site in east-central Missouri. The Weldon Spring Site is a former ordnance works and uranium processing facility. In 1987, elevated levels of inorganic anions and nitroaromatics were detected in ground water beneath the site. Studies are currently underway to characterize the hydrogeologic regime and to define ground water contamination. The complex hydrogeology at the Weldon Spring Site requires innovative monitoring strategies. Combinations of fracture and conduit flow exist in the limestone bedrock. Perched zones are also present near surface impoundments. Losing streams and springs surround the site. Solving this complex combination of hydrogeologic conditions is especially challenging

Piracetam defines a new binding site for allosteric modulators of alpha-amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) receptors.

Science.gov (United States)

Ahmed, Ahmed H; Oswald, Robert E

2010-03-11

Glutamate receptors are the most prevalent excitatory neurotransmitter receptors in the vertebrate central nervous system and are important potential drug targets for cognitive enhancement and the treatment of schizophrenia. Allosteric modulators of AMPA receptors promote dimerization by binding to a dimer interface and reducing desensitization and deactivation. The pyrrolidine allosteric modulators, piracetam and aniracetam, were among the first of this class of drugs to be discovered. We have determined the structure of the ligand binding domain of the AMPA receptor subtypes GluA2 and GluA3 with piracetam and a corresponding structure of GluA3 with aniracetam. Both drugs bind to GluA2 and GluA3 in a very similar manner, suggesting little subunit specificity. However, the binding sites for piracetam and aniracetam differ considerably. Aniracetam binds to a symmetrical site at the center of the dimer interface. Piracetam binds to multiple sites along the dimer interface with low occupation, one of which is a unique binding site for potential allosteric modulators. This new site may be of importance in the design of new allosteric regulators.

So ware-Defined Network Solutions for Science Scenarios: Performance Testing Framework and Measurements

Energy Technology Data Exchange (ETDEWEB)

Settlemyer, Bradley [Los Alamos National Laboratory (LANL); Kettimuthu, R. [Argonne National Laboratory (ANL); Boley, Josh [Argonne National Laboratory (ANL); Katramatos, Dimitrios [Brookhaven National Laboratory (BNL); Rao, Nageswara S. [ORNL; Sen, Satyabrata [ORNL; Liu, Qiang [ORNL

2018-01-01

High-performance scientific work flows utilize supercomputers, scientific instruments, and large storage systems. Their executions require fast setup of a small number of dedicated network connections across the geographically distributed facility sites. We present Software-Defined Network (SDN) solutions consisting of site daemons that use dpctl, Floodlight, ONOS, or OpenDaylight controllers to set up these connections. The development of these SDN solutions could be quite disruptive to the infrastructure, while requiring a close coordination among multiple sites; in addition, the large number of possible controller and device combinations to investigate could make the infrastructure unavailable to regular users for extended periods of time. In response, we develop a Virtual Science Network Environment (VSNE) using virtual machines, Mininet, and custom scripts that support the development, testing, and evaluation of SDN solutions, without the constraints and expenses of multi-site physical infrastructures; furthermore, the chosen solutions can be directly transferred to production deployments. By complementing VSNE with a physical testbed, we conduct targeted performance tests of various SDN solutions to help choose the best candidates. In addition, we propose a switching response method to assess the setup times and throughput performances of different SDN solutions, and present experimental results that show their advantages and limitations.

Loss of heterozygosity for defined regions on chromosomes 3, 11 and 17 in carcinomas of the uterine cervix

NARCIS (Netherlands)

Kersemaekers, A. M.; Hermans, J.; Fleuren, G. J.; van de Vijver, M. J.

1998-01-01

Loss of heterozygosity (LOH) frequently occurs in squamous cell carcinomas of the uterine cervix and indicates the probable sites of tumour-suppressor genes that play a role in the development of this tumour. To define the localization of these tumour-suppressor genes, we studied loss of

First-principles study of hydrogen diffusion in transition metal Rhodium

International Nuclear Information System (INIS)

Bao, Wulijibilige; Cui, Xin; Wang, Zhi-Ping

2015-01-01

In this study, the diffuse pattern and path of hydrogen in transition metal rhodium are investigated by the first-principles calculations. Density functional theory is used to calculate the system energies of hydrogen atom occupying different positions in rhodium crystal lattice. The results indicate that the most stable position of hydrogen atom in rhodium crystal lattice locates at the octahedral interstice, and the tetrahedral interstice is the second stable site. The activation barrier energy for the diffusion of atomic hydrogen in transition metal rhodium is quantified by determining the most favorable path, i.e., the minimum-energy pathway for diffusion, that is the indirect octahedral-tetrahedral-octahedral (O-T-O) pathway, and the activation energy is 0.8345eV

First-principles simulations of iron with nitrogen: from surface adsorption to bulk diffusion

International Nuclear Information System (INIS)

Wu, M H; Liu, X H; Gu, J F; Jin, Z H

2013-01-01

Adsorption, absorption and diffusion pathways of nitrogen are studied for ferromagnetic body-centered cubic iron via spin-polarized density functional theory in combination with the climbing image nudged elastic band method. The computed data suggest that, depending on the coverage of N atoms, N prefers to stay on particular surface sites. Once pinned down well below the surface, N prefers to move into octahedral interstices rather than tetrahedral interstices. However, the tetrahedral interstices are crucial because they act as transition states and yield the saddle point energies of the corresponding minimum energy pathways. In comparison with carbon, we found that nitrogen prefers a different pathway from the (1 0 0) surface to the subsurface due to its strong repulsive interaction with Fe ions. (paper)

Remedial action plan and site design for stabilization of the inactive uranium mill tailings sites at Rifle, Colorado: Final report

International Nuclear Information System (INIS)

1990-02-01

This radiologic characterization of tho two inactive uranium millsites at Rifle, Colorado, was conducted by Bendix Field Engineering Corporation (Bendix) for the US Department of Energy (DOE), Grand Junction Projects Office, in accord with a Statement of Work prepared by the DOE Uranium Mill Tailings Remedial Action (UMTRA) Project Technical Assistance Contractor, Jacobs Engineering Group, Inc. (Jacobs). The purpose of this project is to define the extent of radioactive contamination at the Rifle sites that exceeds US Environmental Protection Agency, (EPA) standards for UMTRA sites. The data presented in this report are required for characterization of the areas adjacent to the tailings piles and for the subsequent design of cleanup activities. An orientation visit to the study area was conducted on 31 July--1 August 1984, in conjunction with Jacobs, to determine the approximate extent of contaminated area surrounding tho piles. During that visit, survey control points were located and baselines were defined from which survey grids would later be established; drilling requirements were assessed; and radiologic and geochemical data were collected for use in planning the radiologic fieldwork. The information gained from this visit was used by Jacobs, with cooperation by Bendix, to determine the scope of work required for the radiologic characterization of the Rifle sites. Fieldwork at Rifle was conducted from 1 October through 16 November 1984

SITE-94. Radionuclide solubilities for SITE-94

Energy Technology Data Exchange (ETDEWEB)

Arthur, R.; Apted, M. [QuantiSci, Denver, CO (United States)

1996-12-01

In this report, solubility constraints are evaluated on radioelement source-term concentrations supporting the SITE-94 performance assessment. Solubility models are based on heterogeneous-equilibrium, mass- and charge-balance constraints incorporated into the EQ3/6 geochemical software package, which is used to calculate the aqueous speciation behavior and solubilities of U, Th, Pu, Np, Am, Ni, Ra, Se, Sn, Sr, Tc and Zr in site groundwaters and near-field solutions. The chemical evolution of the near field is approximated using EQ3/6 in terms of limiting conditions at equilibrium, or steady state, in three closed systems representing fully saturated bentonite, Fe{sup o} corrosion products of the canister, and spent fuel. The calculations consider both low-temperature (15 deg C) and high-temperature (80 deg C) conditions in the near field, and the existence of either reducing or strongly oxidizing conditions in each of the bentonite, canister, and spent-fuel barriers. Heterogeneities in site characteristics are evaluated through consideration of a range of initial groundwaters and their interactions with engineered barriers. Aqueous speciation models for many radioelements are constrained by thermodynamic data that are estimated with varying degrees of accuracy. An important question, however, is how accurate do these models need to be for purposes of estimating source-term concentrations? For example, it is unrealistic to expect a high degree of accuracy in speciation models if such models predict solubilities that are below the analytical detection limit for a given radioelement. From a practical standpoint, such models are irrelevant if calculated solubilities cannot be tested by direct comparison to experimental data. In the absence of models that are both accurate and relevant for conditions of interest, the detection limit could define a pragmatic upper limit on radioelement solubility 56 refs, 25 tabs, 10 figs

SITE-94. Radionuclide solubilities for SITE-94

International Nuclear Information System (INIS)

Arthur, R.; Apted, M.

1996-12-01

In this report, solubility constraints are evaluated on radioelement source-term concentrations supporting the SITE-94 performance assessment. Solubility models are based on heterogeneous-equilibrium, mass- and charge-balance constraints incorporated into the EQ3/6 geochemical software package, which is used to calculate the aqueous speciation behavior and solubilities of U, Th, Pu, Np, Am, Ni, Ra, Se, Sn, Sr, Tc and Zr in site groundwaters and near-field solutions. The chemical evolution of the near field is approximated using EQ3/6 in terms of limiting conditions at equilibrium, or steady state, in three closed systems representing fully saturated bentonite, Fe o corrosion products of the canister, and spent fuel. The calculations consider both low-temperature (15 deg C) and high-temperature (80 deg C) conditions in the near field, and the existence of either reducing or strongly oxidizing conditions in each of the bentonite, canister, and spent-fuel barriers. Heterogeneities in site characteristics are evaluated through consideration of a range of initial groundwaters and their interactions with engineered barriers. Aqueous speciation models for many radioelements are constrained by thermodynamic data that are estimated with varying degrees of accuracy. An important question, however, is how accurate do these models need to be for purposes of estimating source-term concentrations? For example, it is unrealistic to expect a high degree of accuracy in speciation models if such models predict solubilities that are below the analytical detection limit for a given radioelement. From a practical standpoint, such models are irrelevant if calculated solubilities cannot be tested by direct comparison to experimental data. In the absence of models that are both accurate and relevant for conditions of interest, the detection limit could define a pragmatic upper limit on radioelement solubility

D’Andrea’s disease (angiomegaly): a currently well-defined nosological entitys.

Science.gov (United States)

Taurone, S; Spoletini, M; Di Matteo, F M; Mele, R; Tromba, L; Grippaudo, F R; Minni, A; Artico, M

2017-01-01

In 1997 D’Andrea et al. described a new nosological entity the characteristics of which consisted of lengthening, dilation and tortuosity of blood vessels, arteries or veins, less prominent, but also less circumscribed than an aneurysm. This condition does not necessarily imply specific aneurysm formation although aneurysms at multiple sites are a frequent observation. The term used by authors for angiomegaly of the venous system was venomegaly and the analogous condition of the arterial system was termed arteriomegaly. Although tortuosity and dilation of arteries and veins have been widely reported, suggesting a systemic disorder which affects the structural integrity of all vessels, most papers dealing with this intriguing condition did not describe any alterations in the components of vessel walls. In the present paper, the authors describe a well-defined condition, D’Andrea’s Disease (or DD, in this article), analyzing its salient morphological and clinical features and clarifying this pathological condition as a distinct and now well-defined nosological entity.

Hanford Site solid waste acceptance criteria

International Nuclear Information System (INIS)

Willis, N.P.; Triner, G.C.

1991-09-01

Westinghouse Hanford Company manages the Hanford Site solid waste treatment, storage, and disposal facilities for the US Department of Energy Field Office, Richland under contract DE-AC06-87RL10930. These facilities include radioactive solid waste disposal sites, radioactive solid waste storage areas and hazardous waste treatment, storage, and/or disposal facilities. This manual defines the criteria that must be met by waste generators for solid waste to be accepted by Westinghouse Hanford Company for treatment, storage and/or disposal facilities. It is to be used by all waste generators preparing radioactive solid waste for storage or disposal at the Hanford Site facilities and for all Hanford Site generators of hazardous waste. This manual is also intended for use by Westinghouse Hanford Company solid waste technical staff involved with approval and acceptance of solid waste. The criteria in this manual represent a compilation of state and federal regulations; US Department of Energy orders; Hanford Site requirements; and other rules, regulations, guidelines, and standards as they apply to management of solid waste. Where appropriate, these requirements are included in the manual by reference. It is the intent of this manual to provide guidance to the waste generator in meeting the applicable requirements

Measuring the serotonin uptake site using [3H]paroxetine--a new serotonin uptake inhibitor

International Nuclear Information System (INIS)

Gleiter, C.H.; Nutt, D.J.

1988-01-01

Serotonin is an important neurotransmitter that may be involved in ethanol preference and dependence. It is possible to label the serotonin uptake site in brain using the tricyclic antidepressant imipramine, but this also binds to other sites. We have used the new high-affinity uptake blocker paroxetine to define binding to this site and report it to have advantages over imipramine as a ligand

The learning curve of laparoendoscopic single-site (LESS) cholecystectomy: definable, short, and safe.

Science.gov (United States)

Hernandez, Jonathan; Ross, Sharona; Morton, Connor; McFarlin, Kellie; Dahal, Sujat; Golkar, Farhaad; Albrink, Michael; Rosemurgy, Alexander

2010-11-01

The applications of laparoendoscopic single-site (LESS) surgery, including cholecystectomy, are occurring quickly, although little is generally known about issues associated with the learning curve of this new technique including operative time, conversion rates, and safety. We prospectively followed all patients undergoing LESS cholecystectomy, and compared operations undertaken at our institutions in cohorts of 25 patients with respect to operative times, conversion rates, and complications. One-hundred fifty patients of mean age 46 years underwent LESS cholecystectomy. No significant differences in operative times were demonstrable between any of the 25-patient cohorts operated on at our institution. A significant reduction in operative times (p < 0.001) after completion of 75 LESS procedures was, however, identified with the experience of a single surgeon. No significant reduction in the number of procedures requiring an additional trocar(s) or conversion to open operations was observed after completion of 25 LESS cholecystectomies. Complication rates were low, and not significantly different between any 25-patient cohorts. For surgeons proficient with multi-incision laparoscopic cholecystectomy, the learning curve for LESS cholecystectomy begins near proficiency. Operative complications and conversions were infrequent and unchanged across successive 25-patient cohorts, and were similar to those reported for multi-incision laparoscopic cholecystectomy after the learning curve. Copyright © 2010 American College of Surgeons. Published by Elsevier Inc. All rights reserved.

Defining Plagiarism: A Literature Review

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Akbar Akbar

2018-02-01

Full Text Available Plagiarism has repeatedly occurred in Indonesia, resulting in focusing on such academic misbehavior as a “central issue” in Indonesian higher education. One of the issues of addressing plagiarism in higher education is that there is a confusion of defining plagiarism. It seems that Indonesian academics had different perception when defining plagiarism. This article aims at exploring the issue of plagiarism by helping define plagiarism to address confusion among Indonesian academics. This article applies literature review by firs finding relevant articles after identifying databases for literature searching. After the collection of required articles for review, the articles were synthesized before presenting the findings. This study has explored the definition of plagiarism in the context of higher education. This research found that plagiarism is defined in the relation of criminal acts. The huge numbers of discursive features used position plagiaristic acts as an illegal deed. This study also found that cultural backgrounds and exposure to plagiarism were influential in defining plagiarism.

Reducing agent (NaBH4) dependent structure, morphology and magnetic properties of nickel ferrite (NiFe2O4) nanorods

International Nuclear Information System (INIS)

Saravanakumar, B.; Rani, B. Jansi; Ravi, G.; Thambidurai, M.; Yuvakkumar, R.

2017-01-01

Nickel ferrite (Ni-Fe 2 O 4 ) nanorods were synthesized employing a simple chemical reduction method. Reducing agent (NaBH 4 ) influence on structural, morphological and magnetic properties of NiFe 2 O 4 nanorods was investigated. XRD results clearly revealed the presence of inverse cubic spinel nickel ferrite structure characteristic peaks and confirmed the site inversion of inverse spinel structure of Fe 3+ tetrahedral A site and Ni 2+ octahedral B site. The observed Raman characteristic peak at 488 and 683 cm −1 were corresponded to E 1 g and A 1 g mode whereas A and B site respectively corresponded to tetrahedral and octahedral site of NiFe 2 O 4 inverse spinel structure. The obtained PL peaks at 530 and 542 nm were attributed to the emission spectra of Fe 3+ ions in site A of inverse spinel structure and Ni 2+ ions in site B of inverse spinel structure respectively. SEM result clearly revealed that increase in NaBH 4 concentration had remarkable impact on nanorods formation, nano-octahedron structure, homogeneity and regularity of Ni-Ferrites. VSM studies clearly revealed the soft ferromagnetic nature of NiFe 2 O 4 and increase in NaBH 4 concentration further induced raise in metal cations concentration in A- and B- site which might impact the resultant magnetization of ferrites. - Highlights: • Nano rod formation has been initiated while increase of NaBH 4 concentration. • Further increasing NaBH 4 concentration favors nano-octahedron formation. • VSM studies revealed soft ferromagnetic nature of NiFe 2 O 4 .

Future Scenarios for Software-Defined Metro and Access Networks and Software-Defined Photonics

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Tommaso Muciaccia

2017-01-01

Full Text Available In recent years, architectures, devices, and components in telecommunication networks have been challenged by evolutionary and revolutionary factors which are drastically changing the traffic features. Most of these changes imply the need for major re-configurability and programmability not only in data-centers and core networks, but also in the metro-access segment. In a wide variety of contexts, this necessity has been addressed by the proposed introduction of the innovative paradigm of software-defined networks (SDNs. Several solutions inspired by the SDN model have been recently proposed also for metro and access networks, where the adoption of a new generation of software-defined reconfigurable integrated photonic devices is highly desirable. In this paper, we review the possible future application scenarios for software-defined metro and access networks and software-defined photonics (SDP, on the base of analytics, statistics, and surveys. This work describes the reasons underpinning the presented radical change of paradigm and summarizes the most significant solutions proposed in literature, with a specific emphasis to physical-layer reconfigurable networks and a focus on both architectures and devices.

Effect of high substrate bias and hydrogen and nitrogen incorporation on filtered cathodic vacuum arc deposited tetrahedral amorphous carbon films

International Nuclear Information System (INIS)

Panwar, O.S.; Khan, Mohd. Alim; Kumar, Mahesh; Shivaprasad, S.M.; Satyanarayana, B.S.; Dixit, P.N.; Bhattacharyya, R.; Khan, M.Y.

2008-01-01

The application of a sufficiently high negative substrate bias, during the growth of tetrahedral amorphous carbon (ta-C), is usually associated with low sp 3 bonding configuration and stressed films. However, in an effort to understand and utilize the higher pseudo thermo dynamical conditions during the film growth, at high negative substrate bias (- 300 V), reported here is a study on ta-C films grown under different hydrogen and nitrogen concentration. As grown ta-C films were studied under different negative substrate bias conditions. The variation of the sp 3 content and sp 3 /sp 2 ratio in the ta-C films exhibits a trend similar to those reported in literature, with a subtle variation in this report being the substrate bias voltage, which was observed to be around - 200 V, for obtaining the highest sp 3 (80%) bonding and sp 3 /sp 2 (3.95) ratio. The hydrogen and nitrogen incorporated ta-C films studied, at a bias of - 300 V, show an increase in sp 3 (87-91%) bonding and sp 3 /sp 2 (7-10) ratio in the range of studies reported. The inference is drawn on the basis of the set of data obtained from measurements carried out using X-ray photoelectron spectroscopy, X-ray induced Auger electron spectroscopy and Raman spectroscopy of as grown and hydrogen and nitrogen incorporated ta-C films deposited using an S bend filtered cathodic vacuum arc system. The study indicates the possibility of further tailoring ta-C film properties and also extending capabilities of the cathodic arc system for developing carbon based films for electronics and tribological applications

Effect of high substrate bias and hydrogen and nitrogen incorporation on filtered cathodic vacuum arc deposited tetrahedral amorphous carbon films

Energy Technology Data Exchange (ETDEWEB)

Panwar, O.S. [Plasma Processed Materials Group, National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi-110 012 (India)], E-mail: ospanwar@mail.nplindia.ernet.in; Khan, Mohd. Alim [Plasma Processed Materials Group, National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi-110 012 (India); Kumar, Mahesh; Shivaprasad, S.M. [Surface Physics and Nanostructures Group, National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi-110 012 (India); Satyanarayana, B.S. [MIT Innovation Centre and Electronics and Communication Department, Manipal Institute of Technology, Manipal-579104 (India); Dixit, P.N. [Plasma Processed Materials Group, National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi-110 012 (India); Bhattacharyya, R. [Emeritus Scientist, National Physical Laboratory, New Delhi-110012 (India); Khan, M.Y. [Department of Physics, Jamia Millia Islamia, Central University, New Delhi-110025 (India)

2008-02-29

The application of a sufficiently high negative substrate bias, during the growth of tetrahedral amorphous carbon (ta-C), is usually associated with low sp{sup 3} bonding configuration and stressed films. However, in an effort to understand and utilize the higher pseudo thermo dynamical conditions during the film growth, at high negative substrate bias (- 300 V), reported here is a study on ta-C films grown under different hydrogen and nitrogen concentration. As grown ta-C films were studied under different negative substrate bias conditions. The variation of the sp{sup 3} content and sp{sup 3}/sp{sup 2} ratio in the ta-C films exhibits a trend similar to those reported in literature, with a subtle variation in this report being the substrate bias voltage, which was observed to be around - 200 V, for obtaining the highest sp{sup 3} (80%) bonding and sp{sup 3}/sp{sup 2} (3.95) ratio. The hydrogen and nitrogen incorporated ta-C films studied, at a bias of - 300 V, show an increase in sp{sup 3} (87-91%) bonding and sp{sup 3}/sp{sup 2} (7-10) ratio in the range of studies reported. The inference is drawn on the basis of the set of data obtained from measurements carried out using X-ray photoelectron spectroscopy, X-ray induced Auger electron spectroscopy and Raman spectroscopy of as grown and hydrogen and nitrogen incorporated ta-C films deposited using an S bend filtered cathodic vacuum arc system. The study indicates the possibility of further tailoring ta-C film properties and also extending capabilities of the cathodic arc system for developing carbon based films for electronics and tribological applications.

Use of passive diffusion sampling method for defining NO2 concentrations gradient in São Paulo, Brazil

Directory of Open Access Journals (Sweden)

Meliefste Kees

2006-06-01

Full Text Available Abstract Background Air pollution in São Paulo is constantly being measured by the State of Sao Paulo Environmental Agency, however there is no information on the variation between places with different traffic densities. This study was intended to identify a gradient of exposure to traffic-related air pollution within different areas in São Paulo to provide information for future epidemiological studies. Methods We measured NO2 using Palmes' diffusion tubes in 36 sites on streets chosen to be representative of different road types and traffic densities in São Paulo in two one-week periods (July and August 2000. In each study period, two tubes were installed in each site, and two additional tubes were installed in 10 control sites. Results Average NO2 concentrations were related to traffic density, observed on the spot, to number of vehicles counted, and to traffic density strata defined by the city Traffic Engineering Company (CET. Average NO2concentrations were 63μg/m3 and 49μg/m3 in the first and second periods, respectively. Dividing the sites by the observed traffic density, we found: heavy traffic (n = 17: 64μg/m3 (95% CI: 59μg/m3 – 68μg/m3; local traffic (n = 16: 48μg/m3 (95% CI: 44μg/m3 – 52μg/m3 (p Conclusion The differences in NO2 levels between heavy and local traffic sites are large enough to suggest the use of a more refined classification of exposure in epidemiological studies in the city. Number of vehicles counted, traffic density observed on the spot and traffic density strata defined by the CET might be used as a proxy for traffic exposure in São Paulo when more accurate measurements are not available.

Incorporating in situ habitat patchiness in site selection models reveals that site fidelity is not always a consequence of animal choice.

Science.gov (United States)

Martinez, Aline S; Queiroz, Eduardo V; Bryson, Mitch; Byrne, Maria; Coleman, Ross A

2017-07-01

Understanding site fidelity is important in animal ecology, but evidence is lacking that this behaviour is due to an animal choosing a specific location. To discern site selection behaviour, it is necessary to consider the spatial distribution of habitats that animals can occupy within a landscape. Tracking animals and defining clear habitat boundaries, however, is often difficult. We use in situ habitat distribution data and animal movement simulations to investigate behavioural choice in site fidelity patterns. We resolved the difficulty of gathering data by working with intertidal rock pool systems, which are of manageable size and where boundaries are easy to define. Movements of the intertidal starfish Parvulastra exigua were quantified to test the hypotheses that (1) this species displays fidelity to a particular rock pool and that (2) rock pool fidelity is due to site selection behaviour. Observed patterns of individuals (n = 10 starfish) returning to a previously occupied rock pool (n = 5 pools per location) were tested against an expected null distribution generated through simulations of random movements within their natural patchy environment. Starfish exhibited site selection behaviour at only one location even though site fidelity was high (av. 7·4 starfish out of 10 found in test pools) in two of the three locations. The random chance of a starfish returning to a pool increased 67% for each metre further a rock pool was from the original pool, and 120% for each square metre increase in surface area of an original pool. The decision of returning to an original rock pool was influenced by food availability. When microalgal cover was >60%, there was a c. 50% chance of animals staying faithful to that pool. Our results show the importance to consider spatial distribution of habitats in understanding patterns of animal movement associated with animal choices and site fidelity. Returning to a particular place does not necessarily mean that an animal

Field sampling for monitoring, migration and defining the areal extent of chemical contamination

International Nuclear Information System (INIS)

Thomas, J.M.; Skalski, J.R.; Eberhardt, L.L.; Simmons, M.A.

1984-01-01

As part of two studies funded by the U.S. Nuclear Regulatory Commission and the USEPA, the authors have investigated field sampling strategies and compositing as a means of detecting spills or migration at commercial low-level radioactive and chemical waste disposal sites and bioassays for detecting contamination at chemical waste sites. Compositing (pooling samples) for detection is discussed first, followed by the development of a statistical test to determine whether any component of a composite exceeds a prescribed maximum acceptable level. Subsequently, the authors explore the question of optimal field sampling designs and present the features of a microcomputer program designed to show the difficulties in constructing efficient field designs and using compositing schemes. Finally, they propose the use of bioassays as an adjunct or replacement for chemical analysis as a means of detecting and defining the areal extent of chemical migration

Corrective Action Investigation Plan for Corrective Action Unit 554: Area 23 Release Site, Nevada Test Site, Nevada

International Nuclear Information System (INIS)

Boehlecke, Robert F.

2004-01-01

This Corrective Action Investigation Plan (CAIP) contains project-specific information for conducting site investigation activities at Corrective Action Unit (CAU) 554: Area 23 Release Site, Nevada Test Site, Nevada. Information presented in this CAIP includes facility descriptions, environmental sample collection objectives, and criteria for the selection and evaluation of environmental samples. Corrective Action Unit 554 is located in Area 23 of the Nevada Test Site, which is 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit 554 is comprised of one Corrective Action Site (CAS), which is: 23-02-08, USTs 23-115-1, 2, 3/Spill 530-90-002. This site consists of soil contamination resulting from a fuel release from underground storage tanks (USTs). Corrective Action Site 23-02-08 is being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives. Additional information will be obtained by conducting a corrective action investigation prior to evaluating corrective action alternatives and selecting the appropriate corrective action for this CAS. The results of the field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the Corrective Action Decision Document for CAU 554. Corrective Action Site 23-02-08 will be investigated based on the data quality objectives (DQOs) developed on July 15, 2004, by representatives of the Nevada Division of Environmental Protection; U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office; and contractor personnel. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 554. Appendix A provides a detailed discussion of the DQO methodology and the DQOs specific to CAS 23-02-08. The scope of the corrective action investigation

Defining hip fracture with claims data: outpatient and provider claims matter.

Science.gov (United States)

Berry, S D; Zullo, A R; McConeghy, K; Lee, Y; Daiello, L; Kiel, D P

2017-07-01

Medicare claims are commonly used to identify hip fractures, but there is no universally accepted definition. We found that a definition using inpatient claims identified fewer fractures than a definition including outpatient and provider claims. Few additional fractures were identified by including inconsistent diagnostic and procedural codes at contiguous sites. Medicare claims data is commonly used in research studies to identify hip fractures, but there is no universally accepted definition of fracture. Our purpose was to describe potential misclassification when hip fractures are defined using Medicare Part A (inpatient) claims without considering Part B (outpatient and provider) claims and when inconsistent diagnostic and procedural codes occur at contiguous fracture sites (e.g., femoral shaft or pelvic). Participants included all long-stay nursing home residents enrolled in Medicare Parts A and B fee-for-service between 1/1/2008 and 12/31/2009 with follow-up through 12/31/2011. We compared the number of hip fractures identified using only Part A claims to (1) Part A plus Part B claims and (2) Part A and Part B claims plus discordant codes at contiguous fracture sites. Among 1,257,279 long-stay residents, 40,932 (3.2%) met the definition of hip fracture using Part A claims, and 41,687 residents (3.3%) met the definition using Part B claims. 4566 hip fractures identified using Part B claims would not have been captured using Part A claims. An additional 227 hip fractures were identified after considering contiguous fracture sites. When ascertaining hip fractures, a definition using outpatient and provider claims identified 11% more fractures than a definition with only inpatient claims. Future studies should publish their definition of fracture and specify if diagnostic codes from contiguous fracture sites were used.

Surface Coverage in Wireless Sensor Networks Based on Delaunay Tetrahedralization

International Nuclear Information System (INIS)

Ribeiro, M G; Neves, L A; Zafalon, G F D; Valêncio, C; Pinto, A R; Nascimento, M Z

2015-01-01

In this work is presented a new method for sensor deployment on 3D surfaces. The method was structured on different steps. The first one aimed discretizes the relief of interest with Delaunay algorithm. The tetrahedra and relative values (spatial coordinates of each vertex and faces) were input to construction of 3D Voronoi diagram. Each circumcenter was calculated as a candidate position for a sensor node: the corresponding circular coverage area was calculated based on a radius r. The r value can be adjusted to simulate different kinds of sensors. The Dijkstra algorithm and a selection method were applied to eliminate candidate positions with overlapped coverage areas or beyond of surface of interest. Performance evaluations measures were defined using coverage area and communication as criteria. The results were relevant, once the mean coverage rate achieved on three different surfaces were among 91% and 100%

Site-Specific PEGylation of Therapeutic Proteins

Directory of Open Access Journals (Sweden)

Jonathan K. Dozier

2015-10-01

Full Text Available The use of proteins as therapeutics has a long history and is becoming ever more common in modern medicine. While the number of protein-based drugs is growing every year, significant problems still remain with their use. Among these problems are rapid degradation and excretion from patients, thus requiring frequent dosing, which in turn increases the chances for an immunological response as well as increasing the cost of therapy. One of the main strategies to alleviate these problems is to link a polyethylene glycol (PEG group to the protein of interest. This process, called PEGylation, has grown dramatically in recent years resulting in several approved drugs. Installing a single PEG chain at a defined site in a protein is challenging. Recently, there is has been considerable research into various methods for the site-specific PEGylation of proteins. This review seeks to summarize that work and provide background and context for how site-specific PEGylation is performed. After introducing the topic of site-specific PEGylation, recent developments using chemical methods are described. That is followed by a more extensive discussion of bioorthogonal reactions and enzymatic labeling.

Crystal physics with positive pions

International Nuclear Information System (INIS)

Flik, G.

1983-01-01

The π + /μ + lattice channeling is a new method of investigation in solid state physics. In the present thesis axial and planar channeling effects could be observed for the first time in monocrystalline Tantalum for 4, 12 MeV Muons generated by the decay of implanted positive pions. It is found that pions for T + /μ + channeling is investigated in Germanium for low temperatures. For T > 80 K tetrahedral sites are found, but for T < 80 K hexaedral sites or sites in the middle of the Ge-Ge bond are preferred. (BHO)

The CEGB approach to defining the commissioning tests for prime movers

Energy Technology Data Exchange (ETDEWEB)

Horne, B. E. [CEGB, Generation Development and Construction Division, Barnett Way, Barnwood, Gloucester GL4 7RS (United Kingdom)

1986-02-15

This paper describes the CEGB approach to demonstrating during commissioning the adequacy of the reliability of the large on-site essential electrical power sources installed in the CAGR power stations. In this approach the reliability requirements of the essential electrical supplies at the power stations are defined and then the reliability requirements of the particular gas turbine and diesel generator installation derived. The paper outlines the probabilistic methods used in arriving at the specific start and run test programmes which were subsequently carried out. The results achieved in these test programmes in demonstrating that the reliability requirements were satisfied, are presented In the paper. (author)

The CEGB approach to defining the commissioning tests for prime movers

International Nuclear Information System (INIS)

Horne, B.E.

1986-01-01

This paper describes the CEGB approach to demonstrating during commissioning the adequacy of the reliability of the large on-site essential electrical power sources installed in the CAGR power stations. In this approach the reliability requirements of the essential electrical supplies at the power stations are defined and then the reliability requirements of the particular gas turbine and diesel generator installation derived. The paper outlines the probabilistic methods used in arriving at the specific start and run test programmes which were subsequently carried out. The results achieved in these test programmes in demonstrating that the reliability requirements were satisfied, are presented In the paper. (author)

The effect of synthetic method and annealing temperature on metal site preference in Al(1-x)Ga(x)FeO3.

Science.gov (United States)

Walker, James D S; Grosvenor, Andrew P

2013-08-05

Magnetoelectric materials couple both magnetic and electronic properties, making them attractive for use in multifunctional devices. The magnetoelectric AFeO3 compounds (Pna2(1); A = Al, Ga) have received attention as the properties of the system depend on composition as well as the synthetic method used. Al(1-x)Ga(x)FeO3. (0 ≤ x ≤ 1) was synthesized by the sol-gel and coprecipitation methods and studied by X-ray absorption near-edge spectroscopy (XANES). Al L(2,3-), Ga K-, and Fe K-edge XANES spectra were collected to examine how the average metal coordination number (CN) changes with the synthetic method. Al and Fe were found to prefer octahedral sites, while Ga prefers the tetrahedral site. It was found that composition played a larger role in determining site occupancies than synthetic method. Samples made by the sol-gel or ceramic methods (reported previously; Walker, J. D. S.; Grosvenor, A. P. J. Solid State Chem. 2013, 197, 147-153) showed smaller spectral changes than samples made via the coprecipitation method. This is attributed to greater ion mobility in samples synthesized via coprecipitation as the reactants do not have a long-range polymeric or oxide network during synthesis like samples synthesized via the sol-gel or ceramic method. Increasing annealing temperature increases the average coordination number of Al, and to a lesser extent Ga, while the average coordination number of Fe decreases. This study indicates that greater disorder is observed when the Al(1-x)Ga(x)FeO3. compounds have high Al content, and when annealed at higher temperatures.

[Risk factors related to surgical site infection in elective surgery].

Science.gov (United States)

Angeles-Garay, Ulises; Morales-Márquez, Lucy Isabel; Sandoval-Balanzarios, Miguel Antonio; Velázquez-García, José Arturo; Maldonado-Torres, Lulia; Méndez-Cano, Andrea Fernanda

2014-01-01

The risk factors for surgical site infections in surgery should be measured and monitored from admission to 30 days after the surgical procedure, because 30% of Surgical Site Infection is detected when the patient was discharged. Calculate the Relative Risk of associated factors to surgical site infections in adult with elective surgery. Patients were classified according to the surgery contamination degree; patient with surgery clean was defined as no exposed and patient with clean-contaminated or contaminated surgery was defined exposed. Risk factors for infection were classified as: inherent to the patient, pre-operative, intra-operative and post-operative. Statistical analysis; we realized Student t or Mann-Whitney U, chi square for Relative Risk (RR) and multivariate analysis by Cox proportional hazards. Were monitored up to 30 days after surgery 403 patients (59.8% women), 35 (8.7%) developed surgical site infections. The factors associated in multivariate analysis were: smoking, RR of 3.21, underweight 3.4 hand washing unsuitable techniques 4.61, transfusion during the procedure 3.22, contaminated surgery 60, and intensive care stay 8 to 14 days 11.64, permanence of 1 to 3 days 2.4 and use of catheter 1 to 3 days 2.27. To avoid all risk factors is almost impossible; therefore close monitoring of elective surgery patients can prevent infectious complications.

Development of site selection process for an LILW repository in Slovenia

International Nuclear Information System (INIS)

Zeleznik, N.; Kralj, M.; Mele, I.; Veselic, M.

2005-01-01

The activities regarding the LILW repository site selection in Slovenia are planned to meet the requirements of the Act on Ionising Radiation Protection and Nuclear Safety, especially the requirement that the site for a repository should be selected by 2008 and the repository should be in operation by 2013. In November 2004, the official administrative procedure for the siting of the repository started with the first spatial public conference on spatial planning procedure. It was carried out by the Ministry of the Environment and Spatial Planning and ARAO. Immediately after the conference the Program for the preparation of the detailed plan of national importance for the LILW repository was accepted by the Ministry. At the beginning of December 2004, ARAO invited all Slovenian local communities to participate in the site selection process and volunteer a site or area in their local community for further investigation. At the beginning of April 2005 the first phase of the bidding process was concluded. ARAO received applications from eight local communities. A pre-feasibility study to define three of the most promising locations was conducted because only three locations are foreseen by the Program for the preparation of the detailed plan of national importance. Methodologies were prepared for assessment of different parameters of technical, financial, environmental and spatial suitability as well as public acceptability. Comparative, preferential and also exclusion criteria for the respective parameters were defined. The results of the cabinet and fieldwork research were compared and further assessed in order to obtain maximum three local communities with three potential sites in which the probability of siting the LILW repository seems to be the highest. Detailed plans of national importance will be prepared for these sites. (author)

Streamlined approach for environmental restoration closure report for Corrective Action Unit 454: Historical underground storage tank release sites, Nevada Test Site, Nevada

International Nuclear Information System (INIS)

1998-04-01

This report addresses the characterization of three historical underground storage tank (UST) petroleum hydrocarbon release sites identified as 12-B-1, 12-B-3, and 12-COMM-1. The sites are located within the Nevada Test Site in Area 12 at B Tunnel and a former Communications/Power Maintenance Shop. Release Site 12-B-1 was not able to be clean-closed as proposed in the SAFER Plan. However, hydrocarbon impacted soils were excavated down to bedrock. Release Site 12-B-3 was evaluated to verify that the identified release was not associated with the UST removed from the site. Analytical results support the assumption that wood or possibly a roof sealant used as part of the bunker construction could have been the source of hydrocarbons detected. Release Site 12-COMM-1 was not clean closed as proposed in the SAFER Plan. The vertical extent of impacted soils was determined not to extend below a depth of 2.7 m (9 ft) below ground surface (bgs). The lateral extent could not be defined due to the presence of a discontinuous lens of hydrocarbon-impacted soil

Streamlined approach for environmental restoration closure report for Corrective Action Unit 454: Historical underground storage tank release sites, Nevada Test Site, Nevada

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-04-01

This report addresses the characterization of three historical underground storage tank (UST) petroleum hydrocarbon release sites identified as 12-B-1, 12-B-3, and 12-COMM-1. The sites are located within the Nevada Test Site in Area 12 at B Tunnel and a former Communications/Power Maintenance Shop. Release Site 12-B-1 was not able to be clean-closed as proposed in the SAFER Plan. However, hydrocarbon impacted soils were excavated down to bedrock. Release Site 12-B-3 was evaluated to verify that the identified release was not associated with the UST removed from the site. Analytical results support the assumption that wood or possibly a roof sealant used as part of the bunker construction could have been the source of hydrocarbons detected. Release Site 12-COMM-1 was not clean closed as proposed in the SAFER Plan. The vertical extent of impacted soils was determined not to extend below a depth of 2.7 m (9 ft) below ground surface (bgs). The lateral extent could not be defined due to the presence of a discontinuous lens of hydrocarbon-impacted soil.

Dynamic usage of transcription start sites within core promoters

DEFF Research Database (Denmark)

Kawaji, Hideya; Frith, Martin C; Katayama, Shintaro

2006-01-01

BACKGROUND: Mammalian promoters do not initiate transcription at single, well defined base pairs, but rather at multiple, alternative start sites spread across a region. We previously characterized the static structures of transcription start site usage within promoters at the base pair level......, based on large-scale sequencing of transcript 5' ends. RESULTS: In the present study we begin to explore the internal dynamics of mammalian promoters, and demonstrate that start site selection within many mouse core promoters varies among tissues. We also show that this dynamic usage of start sites...... is associated with CpG islands, broad and multimodal promoter structures, and imprinting. CONCLUSION: Our results reveal a new level of biologic complexity within promoters--fine-scale regulation of transcription starting events at the base pair level. These events are likely to be related to epigenetic...

Fluctuations in the site-disordered traveling salesman problem

Energy Technology Data Exchange (ETDEWEB)

Dean, David S [Laboratoire de Physique Theorique, UMR CNRS 5152, IRSAMC, Universite Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cedex 04 (France); Lancaster, David [Harrow School of Computer Science, University of Westminster, Harrow HA1 3TP (United Kingdom)

2007-11-16

We extend a previous statistical mechanical treatment of the traveling salesman problem by defining a discrete 'site-disordered' problem in which fluctuations about saddle points can be computed. The results clarify the basis of our original treatment, and illuminate but do not resolve the difficulties of taking the zero-temperature limit to obtain minimal path lengths.

Site qualification studies of the UCG-SDB at North Knobs, Wyoming

Energy Technology Data Exchange (ETDEWEB)

Davis, B.E.; Krajewski, S.A.; Ahner, P.F.; Avasthi, J.M.; Dolde, M.E.; Greenman, C.A.; Miranda, J.E.

1979-01-01

The site qualification program for the North Knobs UCG site near Rawlins, Wyoming has been completed. This site will be the location for the field tests of Underground Coal Gasification of Steeply Dipping Beds undertaken by Gulf Research and Development Company for DOE in a cost shared contract. Site characterization included a comprehensive geotechnical analysis along with vegetation, historical, and archeological studies. The G coal seam chosen for these tests is a subbituminous B coal with a true seam thickness of 22 feet and has thin coal benches above and below the main seam. The water table is at 90 feet below the surface. Hydrologic studies have defined the seam as an aquiclude (non-aquifer). The site is deemed restorable to regulatory requirements. Evaluation of this site indicates total acceptability for the three-test program planned by GR and DC.

Interactive and communal web site and e-learning in nuclear medicine; Site web interactif et communautaire d'e-learning en medecine nucleaire

Energy Technology Data Exchange (ETDEWEB)

Nalda, E. [CHU Caremeau, Service de medecine nucleaire, 30 - Nimes (France); Sibille, L. [CHU Lapeyronie, service de medecine nucleaire, 34 - Montpellier (France); Comte, F. [Scintidoc Clinique Clementville, service de medecine nucleaire, 34 - Montpellier (France)

2010-07-01

Purpose: The medical area follows the evolution of information and communication technologies, especially on developing e-learning. We wanted in this context to create a web site on nuclear medicine for free access to health professionals. Conclusions: for every great chapter, anatomical and physiological reminders of explored diseases were listed. The techniques bases of the different scintigraphic examinations as well as the characteristics of radiopharmaceuticals used have been defined. more than 150 clinical cases are currently available on the site http://www.mednuc.net with the possibility to test your knowledge. (N.C.)

Sociological perspective on the siting of hazardous waste facilities

International Nuclear Information System (INIS)

Mileti, D.S.

1985-01-01

The site of hazardous waste facilities has been, and will likely continue to be, both an important societal need and a publicity controversial topic. Sites have been denounced, shamed, banned, and moved at the same time that the national need for their installation and use has grown. Based on the available technologies, the effective siting of facilities is more of a major contemporary social issue than it is a technological problem. Traditional social impact assessment approaches to the siting process have generally failed to meaningfully contribute to successful project implementation; these efforts have largely ignored the public perception aspects of risk and hazard on the success or failure of facility siting. It is proposed in this paper that more readily acceptable solutions to siting hazardous waste facilities might result from the integration of two social science approaches: (1) social impact assessment, which seeks to define and mitigate problems, and (2) hazards policy studies, which has sought to understand and incorporate public risk perceptions into effective public decision-making. This paper illustrates how this integration of approaches could be implemented

Human health and other risk drivers to prioritize site remediation

Energy Technology Data Exchange (ETDEWEB)

McHugh, T.; Connor, J. [Groundwater Services Inc, Houston, TX (United States)

2003-07-01

Remedial actions at soil and groundwater cleanup sites have traditionally been addressed on an individual, case-by-case basis, as needed to address regulatory requirements. However, effective management of large portfolios of remediation sites (such as hundreds or thousands of underground storage tank sites owned by a single company) requires coordination and prioritisation of individual site response actions to optimise the degree of risk reduction achieved with available resources. To meet these management objectives, two new risk-based management tools have been developed and implemented by the authors: i) a simple risk-based classification system, that can be employed to prioritise response actions, identify key risk drivers, and measure risk reduction progress over time for the full site portfolio; and ii) a lifecycle cost management system that can be employed to forecast remediation spending and optimise risk reduction benefits. For use in prioritising response actions at remediation sites, 'risk' is defined as the negative consequence of no action. (orig.)

Aluminum and gallium nuclei as microscopic probes for pulsed electron-nuclear double resonance diagnostics of electric-field gradient and spin density in garnet ceramics doped with paramagnetic ions

Science.gov (United States)

Uspenskaya, Yu. A.; Mamin, G. V.; Babunts, R. A.; Badalyan, A. G.; Edinach, E. V.; Asatryan, H. R.; Romanov, N. G.; Orlinskii, S. B.; Khanin, V. M.; Wieczorek, H.; Ronda, C.; Baranov, P. G.

2018-03-01

The presence of aluminum and gallium isotopes with large nuclear magnetic and quadrupole moments in the nearest environment of impurity ions Mn2+ and Ce3+ in garnets made it possible to use hyperfine and quadrupole interactions with these ions to determine the spatial distribution of the unpaired electron and the gradient of the electric field at the sites of aluminum and gallium in the garnet lattice. High-frequency (94 GHz) electron spin echo detected electron paramagnetic resonance and electron-nuclear double resonance measurements have been performed. Large difference in the electric field gradient and quadrupole splitting at octahedral and tetrahedral sites allowed identifying the positions of aluminum and gallium ions in the garnet lattice and proving that gallium first fills tetrahedral positions in mixed aluminum-gallium garnets. This should be taken into account in the development of garnet-based scintillators and lasers. It is shown that the electric field gradient at aluminum nuclei near Mn2+ possessing an excess negative charge in the garnet lattice is ca. 2.5 times larger than on aluminum nuclei near Ce3+.

Cation distribution in spinels and its effect on activity pick-up and passivation behaviour

International Nuclear Information System (INIS)

Subramanian, H.; Velmurugan, S.; Narasimhan, S.V.

2000-01-01

Spinels are found to be the major corrosion products in the primary heat transport system or nuclear reactors. These corrosion products are activated in the core and are picked up on the deposited corrosion product oxides, which lead to the radiation field buildup on out of core surfaces. In order to mitigate this phenomenon, it is extremely important to understand the structural changes that take place in a spinel in the primary heat transport system. Most of the spinels found in reactor systems are mixed spinels. Cation distribution in tetrahedral and octahedral sites of these spinels, which is temperature dependent, will affect the pickup of active metal ions from solution into these spinels. Distribution of cations in simple spinels was estimated by minimising the Gibbs energy change for the migration of ions between tetrahedral and octahedral sites, based on the assumption that it is the configurational entropy change for the process that dominates the distribution. Cation distribution for mixed spinels was also calculated using the same method. Energy demand for the exchange of an aqueous ion with these spinels has been estimated. (author)

Synthesis and structure of Li{sub 4}GeS{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Matsushita, Y [National Inst. of Materials and Chemical Research, Tsukuba (Japan). High Pressure Lab.; Kanatzidis, M G [Michigan State Univ., East Lansing, MI (United States). Dept. of Chemistry

1998-01-01

The compound Li{sub 4}GeS{sub 4} has been prepared as transparent, light yellow moisture-sensitive crystals. Li{sub 4}GeS{sub 4} belongs to the space group Pnma with a = 14.107(6) A, b = 7.770(3) A and c = 6.162(2) A. The crystal structure was solved by direct-methods. The final R and R{sub w}-values are 1.85 and 1.65% for 866 observed reflections. The Li{sub 4}GeS{sub 4} structure has three crystallographically independent lithium sites and one germanium site. The lithium atoms adopt two different coordination types. The Li1 atom is coordinated to five sulfur atoms in a square pyramidal geometry, while the Li2 and Li3 atoms have distorted tetrahedral coordination. The Ge atom is tetrahedrally coordinated by four sulfur atoms and is found as [GeS{sub 4}]{sup 4-} units. The anisotropic three-dimensional crystal structure of Li{sub 4}GeS{sub 4} is described. (orig.) 57 refs.

Assessment of Wind Turbine for Site-Specific Conditions using Probabilistic Methods

DEFF Research Database (Denmark)

Heras, Enrique Gómez de las; Gutiérrez, Roberto; Azagra, Elena

2013-01-01

turbines, helping to the decision making during the site assessment phase of wind farm designs. First, the design equation for the failure mode of interest is defined, where the loads associated to the site-specific wind conditions are compared with the design limits of the structural component. A limit...... be very dependent on the site. The uncertainties on the wind properties depend on issues like the available wind data, the quality of the measurement sensors, the type of terrain or the accuracy of the engineering models for horizontal and vertical spatial extrapolation. An example is included showing two...

Review of potential EGS sites and possible EGS demonstration scenarios

Energy Technology Data Exchange (ETDEWEB)

None

1999-09-01

selecting projects for funding is discussed objectively. Although defined as separate sub-tasks, the EGS site review and reference scenarios are closely related. The incremental approach to EGS development that has recently been adopted could logically be expected to yield proposals for studies that lead up to and include production-enhancement experiments in producing geothermal fields in the very near future. However, the strategic plan clearly calls for the development of a more comprehensive demonstration project that can generate up to perhaps 10 MW (gross). It is anticipated that a series of small-scale experiments will define what realistically may be achieved in the near future, thus setting the stage for a successful pilot demonstration. This report continues the process of presenting information on EGS sites and experiments, and begins the process of defining what a demonstration project might be.

Heat flow at the proposed Appalachian Ultradeep Core Hole (ADCOH) Site: Tectonic implications

Science.gov (United States)

Costain, John K.; Decker, Edward R.

The heat flow in northwestern South Carolina at the Appalachian Ultradeep Core Hole (ADCOH) site area is approximately 55 mW/m². This data supplements other data to the east in the Piedmont and Atlantic Coastal Plain provinces where heat flows > 55 mW/m² are characteristic of post- and late-synmetamorphic granitoids. Piedmont heat flow and heat generation data for granites, metagranites, and one Slate Belt site, in a zone approximately parallel to major structural Appalachian trends, define a linear relation. Tectonic truncation of heat-producing crust at a depth of about 8 km (a depth equal to the slope of the heat flow-heat production line) is proposed to explain the linear relation. Using the value of reduced heat flow estimated from this empirical relation, and assuming thicknesses of heat-producing crust defined by new ADCOH seismic data, the heat flow and heat production at the ADCOH site are consistent with a depth to the base of the Inner Piedmont crystalline allochthon of about 5.5 km. Seismic data at the ADCOH site confirm that the Inner Piedmont is tectonically truncated at about 5.5 km by the Blue Ridge master decollement. Temperatures at 10 km at the ADCOH site are predicted to be less than 200 °C.

Inhibitor mechanisms in the S1 binding site of the dopamine transporter defined by multi-site molecular tethering of photoactive cocaine analogs.

Science.gov (United States)

Krout, Danielle; Pramod, Akula Bala; Dahal, Rejwi Acharya; Tomlinson, Michael J; Sharma, Babita; Foster, James D; Zou, Mu-Fa; Boatang, Comfort; Newman, Amy Hauck; Lever, John R; Vaughan, Roxanne A; Henry, L Keith

2017-10-15

Dopamine transporter (DAT) blockers like cocaine and many other abused and therapeutic drugs bind and stabilize an inactive form of the transporter inhibiting reuptake of extracellular dopamine (DA). The resulting increases in DA lead to the ability of these drugs to induce psychomotor alterations and addiction, but paradoxical findings in animal models indicate that not all DAT antagonists induce cocaine-like behavioral outcomes. How this occurs is not known, but one possibility is that uptake inhibitors may bind at multiple locations or in different poses to stabilize distinct conformational transporter states associated with differential neurochemical endpoints. Understanding the molecular mechanisms governing the pharmacological inhibition of DAT is therefore key for understanding the requisite interactions for behavioral modulation and addiction. Previously, we leveraged complementary computational docking, mutagenesis, peptide mapping, and substituted cysteine accessibility strategies to identify the specific adduction site and binding pose for the crosslinkable, photoactive cocaine analog, RTI 82, which contains a photoactive azide attached at the 2β position of the tropane pharmacophore. Here, we utilize similar methodology with a different cocaine analog N-[4-(4-azido-3-I-iodophenyl)-butyl]-2-carbomethoxy-3-(4-chlorophenyl)tropane, MFZ 2-24, where the photoactive azide is attached to the tropane nitrogen. In contrast to RTI 82, which crosslinked into residue Phe319 of transmembrane domain (TM) 6, our findings show that MFZ 2-24 adducts to Leu80 in TM1 with modeling and biochemical data indicating that MFZ 2-24, like RTI 82, occupies the central S1 binding pocket with the (+)-charged tropane ring nitrogen coordinating with the (-)-charged carboxyl side chain of Asp79. The superimposition of the tropane ring in the three-dimensional binding poses of these two distinct ligands provides strong experimental evidence for cocaine binding to DAT in the S1 site

Tanks Focus Area FY 1996 Site Needs Assessment

International Nuclear Information System (INIS)

1996-03-01

The Tanks Focus Area's (TFA's) mission is to manage an integrated technology development program that results in the application of technology to safely and efficiently accomplish tank waste remediation across the US Department of Energy (DOE) complex. The TFA uses a systematic process for developing its annual program that draws from the tanks technology development needs expressed by four DOE tank waste sites--Hanford, Idaho, Oak Ridge, and Savannah River Sites. The process is iterative and involves four steps: (1) identify and validate tank technology needs at these four sites, (2) define a technical program that responds to these needs, (3) select specific tasks and schedules that accomplish program objectives, and (4) develop integrated teams to carry out selected tasks. This document describes the first of these four steps: identification of sites' tank technology needs. This step concentrates solely on needs identification, collection, and validation. Funding requirements and specific scope of responsive technical activities are not considered until later steps in program definition. This year, the collection and validation of site needs were accomplished through written input from the Site Technology Coordination Groups (STCGs). The TFA recognizes the importance of a continuing solid partnership with the sites through the STCG and DOE as well as contractor users and, therefore, ensured site participation and close coordination throughout the process

Revised Mechanism and Improved Efficiency of the QuikChange Site-Directed Mutagenesis Method.

Science.gov (United States)

Xia, Yongzhen; Xun, Luying

2017-01-01

Site-directed mutagenesis has been widely used for the substitution, addition or deletion of nucleotide residues in a defined DNA sequence. QuikChange™ site-directed mutagenesis and its related protocols have been widely used for this purpose because of convenience and efficiency. We have recently demonstrated that the mechanism of the QuikChange™ site-directed mutagenesis process is different from that being proposed. The new mechanism promotes the use of partially overlapping primers and commercial PCR enzymes for efficient PCR and mutagenesis.

Defects/strain influenced magnetic properties and inverse of surface spin canting effect in single domain CoFe_2O_4 nanoparticles

International Nuclear Information System (INIS)

Singh, Simrjit; Khare, Neeraj

2016-01-01

Graphical abstract: - Highlights: • Synthesized single domain CoFe_2O_4 nanoparticles with different amount of strain. • Demonstrated a correlation between size, strain and magnetic properties of CoFe_2O_4. • Strain induces cationic redistribution at tetrahedral and octahedral sites of CoFe_2O_4. • Inverse of spin canting effect due to the redistribution of Fe"3"+ ions is demonstrated. - Abstract: Single domain CoFe_2O_4 nanoparticles with different amount of defects/strain have been synthesized by varying the growth temperature in the hydrothermal method. Nanoparticles grown at lower temperature are of larger size and exhibit more planar defects and oxygen vacancies as compared to nanoparticles grown at higher temperatures which are of smaller sizes and exhibit less planar defects and oxygen vacancies. The nanoparticles with larger amount of defects also possess a higher value of intrinsic strain as compared to nanoparticles with fewer defects. The presence of intrinsic strain in the nanoparticles is found to shift the cationic distribution at the tetrahedral and octahedral sites. The saturation magnetization (M_s) of the nanoparticles is found to depend upon both the intrinsic strain and size of the nanoparticles. The M_s increases with the decrease in the nanoparticles size from 32 nm to 20 nm, and this is correlated to the inverse of spin canting effect due to decrease in the intrinsic strain which leads to shifting of Co"2"+ ions from tetrahedral to octahedral sites. However, with further decrease in the size of the nanoparticles (16 nm), the size effect dominates over the strain effect leading to decrease in M_s. The coercivity is found to be higher in the nanoparticles with larger amount of defects/strain and has been attributed to strain induced strong spin canting and pinning due to defect sites. The variation of coercivity with particle size (D) exhibits deviation from D"3"/"2 dependence for the nanoparticles with larger amount of strain/defects.

Health survey on cancers about the Tricastin nuclear site

International Nuclear Information System (INIS)

2010-01-01

This survey aims at describing the health status of the population around the Tricastin site, and more particularly at determining whether there is a difference between death or cancer occurrence frequencies observed around this site with respect to reference frequencies. It does not aim at assessing the health impact of the site industrial installations. Cancer mortality data, cancer diagnosis data, demographic data, child cancer data, data related to hospital stays in relationship with cancer, long duration hospital stay data, and mortality data are used. Several indicators are defined and used: standardised mortality ratio, standardised hospitalisation ratio. Data are also analysed in terms of location, and socio-demographic categories. It appears that there is no specific health situation for the considered area, except for pancreas cancer for women

Ethical principles for physician rating sites.

Science.gov (United States)

Strech, Daniel

2011-12-06

During the last 5 years, an ethical debate has emerged, often in public media, about the potential positive and negative effects of physician rating sites and whether physician rating sites created by insurance companies or government agencies are ethical in their current states. Due to the lack of direct evidence of physician rating sites' effects on physicians' performance, patient outcomes, or the public's trust in health care, most contributions refer to normative arguments, hypothetical effects, or indirect evidence. This paper aims, first, to structure the ethical debate about the basic concept of physician rating sites: allowing patients to rate, comment, and discuss physicians' performance, online and visible to everyone. Thus, it provides a more thorough and transparent starting point for further discussion and decision making on physician rating sites: what should physicians and health policy decision makers take into account when discussing the basic concept of physician rating sites and its possible implications on the physician-patient relationship? Second, it discusses where and how the preexisting evidence from the partly related field of public reporting of physician performance can serve as an indicator for specific needs of evaluative research in the field of physician rating sites. This paper defines the ethical principles of patient welfare, patient autonomy, physician welfare, and social justice in the context of physician rating sites. It also outlines basic conditions for a fair decision-making process concerning the implementation and regulation of physician rating sites, namely, transparency, justification, participation, minimization of conflicts of interest, and openness for revision. Besides other issues described in this paper, one trade-off presents a special challenge and will play an important role when deciding about more- or less-restrictive physician rating sites regulations: the potential psychological and financial harms for

Framework for DOE mixed low-level waste disposal: Site fact sheets

Energy Technology Data Exchange (ETDEWEB)

Gruebel, M.M.; Waters, R.D.; Hospelhorn, M.B.; Chu, M.S.Y. [eds.

1994-11-01

The Department of Energy (DOE) is required to prepare and submit Site Treatment Plans (STPS) pursuant to the Federal Facility Compliance Act (FFCAct). Although the FFCAct does not require that disposal be addressed in the STPS, the DOE and the States recognize that treatment of mixed low-level waste will result in residues that will require disposal in either low-level waste or mixed low-level waste disposal facilities. As a result, the DOE is working with the States to define and develop a process for evaluating disposal-site suitability in concert with the FFCAct and development of the STPS. Forty-nine potential disposal sites were screened; preliminary screening criteria reduced the number of sites for consideration to twenty-six. The DOE then prepared fact sheets for the remaining sites. These fact sheets provided additional site-specific information for understanding the strengths and weaknesses of the twenty-six sites as potential disposal sites. The information also provided the basis for discussion among affected States and the DOE in recommending sites for more detailed evaluation.

SiteChar – Methodology for a Fit-for-Purpose Assessment of CO2 Storage Sites in Europe

Directory of Open Access Journals (Sweden)

Delprat-Jannaud F.

2015-04-01

Full Text Available The FP7-funded SiteChar project examined the entire CO2 geological storage site characterisation process, from the initial feasibility studies through to the final stage of application for a CO2 storage permit based on criteria defined by the relevant European legislation. The SiteChar workflow for CO2 geological storage site characterisation provides a description of all elements of a site characterisation study, as well as guidance to streamline the site characterisation process and make sure that the output covers the aspects mentioned in the European Community (EC Storage Directive. Five potential European storage sites, representative of prospective geological contexts, were considered as test sites for the research work: a North Sea multi-store site (hydrocarbon field and aquifer offshore Scotland; an onshore aquifer in Denmark; an onshore gas field in Poland; an aquifer offshore in Norway; and an aquifer in the Southern Adriatic Sea. This portfolio combines complementary sites that allowed to encompass the different steps of the characterisation workflow. A key innovation was the development of internal ‘dry-run’ permit applications at the Danish and Scottish sites and their review by relevant regulatory authorities. This process helped to refine the site characterisation workflow, and aimed to identify remaining gaps in site-specific characterisation, needed to secure storage permits under the EC Storage Directive as implemented in ‘host’ Member States. SiteChar considered the important aspect of the public awareness and public opinions of these new technologies, in parallel to technical issues, on the onshore Polish and offshore Scottish sites. A new format to assist public opinion-forming processes was tested involving a small sample of local communities. Generic as well as site-specific information was made available to the general and local public via the internet and at information meetings. These exercises provide insight

Structure of a carbon monoxide adduct of cobalt-exchanged zeolite A (Co/sub 5.25/Na/sub 1.5/-A x 1.5CO) by neutron profile refinement

International Nuclear Information System (INIS)

Adams, J.M.; Haselden, D.A.

1984-01-01

The structure of a carbon monoxide adduct of cobalt-exchanged zeolite A, Co/sub 5.25/Na/sub 1.5/-A x 1.5CO, has been determined by Rietveld neutron profile refinement. All exchangeable cations are located in sites adjacent to the 6-ring; 3.75 of the cobalt cations sit 0.4 A inside the β-cage (Co(2)) and are arranged tetrahedrally about the eight 6-rings sites in the β-cage. The sodium cations (Na(1)) reside just inside the α-cage in sites similar to those found previously for zeolites 3A, 4A, and 5A. The remaining 1.5 cobalt cations (Co(1)) are located in sites similar to those for sodium, but they are also coordinated to the carbon monoxide molecules, which lie on, or close-to, the threefold axis which passes through the 6-ring. Inside the β-cage there is a tetrahedral aluminum complex of AlO 4 type, the oxygen atoms (O*) of which point toward six rings not occupied by cobalt cations, Co(2). Each of the oxygen atoms of this complex is involved in a hydrogen bond (2.83 A) to the 6-ring oxygen O(3). Approximately 2/3 of these bonds are of type O*-H ... O(3) and 1/3 of type O* ...H-O(3)

Helium behavior in oxide dispersion strengthened (ODS) steel: Insights from ab initio modeling

Science.gov (United States)

Sun, Dan; Li, Ruihuan; Ding, Jianhua; Huang, Shaosong; Zhang, Pengbo; Lu, Zheng; Zhao, Jijun

2018-02-01

Using first-principles calculations, we systemically investigate the energetics and stability behavior of helium (He) atoms and small Hen (n = 2-4) clusters inside oxide dispersion strengthened (ODS) steel, as well as the incorporation of large amount of He atoms inside Y2O3 crystal. From the energetic point of view, He atom inside Y2O3 cluster is most stable, followed by the interstitial sites at the α-Fe/Y2O3 interface, and the tetrahedral interstitial sites inside α-Fe region. We further consider Hen (n = 2-4) clusters at the tetrahedral interstitial site surrounded by four Y atoms, which is the most stable site in the ODS steel model. The incorporation energies of all these Hen clusters are lower than that of single He atom in α-Fe, while the binding energy between two He atoms is relatively small. With insertion of 15 He atoms into 80-atom unit cell of Y2O3 crystal, the incorporation energy of He atoms is still lower than that of He4 cluster in α-Fe crystal. These theoretical results suggest that He atoms tend to aggregate inside Y2O3 clusters or at the α-Fe/Y2O3 interface, which is beneficial to prevent the He embrittlement in ODS steels.

Modular Software-Defined Radio

Directory of Open Access Journals (Sweden)

Rhiemeier Arnd-Ragnar

2005-01-01

Full Text Available In view of the technical and commercial boundary conditions for software-defined radio (SDR, it is suggestive to reconsider the concept anew from an unconventional point of view. The organizational principles of signal processing (rather than the signal processing algorithms themselves are the main focus of this work on modular software-defined radio. Modularity and flexibility are just two key characteristics of the SDR environment which extend smoothly into the modeling of hardware and software. In particular, the proposed model of signal processing software includes irregular, connected, directed, acyclic graphs with random node weights and random edges. Several approaches for mapping such software to a given hardware are discussed. Taking into account previous findings as well as new results from system simulations presented here, the paper finally concludes with the utility of pipelining as a general design guideline for modular software-defined radio.

Selection of remedial alternatives for mine sites: a multicriteria decision analysis approach.

Science.gov (United States)

Betrie, Getnet D; Sadiq, Rehan; Morin, Kevin A; Tesfamariam, Solomon

2013-04-15

The selection of remedial alternatives for mine sites is a complex task because it involves multiple criteria and often with conflicting objectives. However, an existing framework used to select remedial alternatives lacks multicriteria decision analysis (MCDA) aids and does not consider uncertainty in the selection of alternatives. The objective of this paper is to improve the existing framework by introducing deterministic and probabilistic MCDA methods. The Preference Ranking Organization Method for Enrichment Evaluation (PROMETHEE) methods have been implemented in this study. The MCDA analysis involves processing inputs to the PROMETHEE methods that are identifying the alternatives, defining the criteria, defining the criteria weights using analytical hierarchical process (AHP), defining the probability distribution of criteria weights, and conducting Monte Carlo Simulation (MCS); running the PROMETHEE methods using these inputs; and conducting a sensitivity analysis. A case study was presented to demonstrate the improved framework at a mine site. The results showed that the improved framework provides a reliable way of selecting remedial alternatives as well as quantifying the impact of different criteria on selecting alternatives. Copyright © 2013 Elsevier Ltd. All rights reserved.

How do glycerol and dimethyl sulphoxide affect local tetrahedral structure of water around a nonpolar solute at low temperature? Importance of preferential interaction

Science.gov (United States)

Daschakraborty, Snehasis

2018-04-01

Glycerol and dimethyl sulphoxide (DMSO) have vital roles in cryoprotection of living cells, tissues, etc. The above action has been directly linked with disruption of hydrogen (H-) bond structure and dynamics of water by these cosolvents at bulk region and around various complex units, such as peptide, amino acid, protein, and lipid membrane. However, the disruption of the local structure of the water solvent around a purely hydrophobic solute is still not studied extensively. The latter is also important in the context of stabilization of protein from cold denaturation. Through all-atom molecular dynamics simulation, we have investigated the comparative effect of glycerol and DMSO on the orientational order of water around a nonpolar solute at -5 °C. A steady reduction of the tetrahedral order of water is observed at bulk (>10 Å distance from the solute) and solute interface (structure of the interfacial water more than that of the bulk water, glycerol affects the water structure almost uniformly at all regions around the solute. Furthermore, while glycerol helps to retain water molecules at the interface, DMSO significantly reduces the water content in that region. We have put forward a plausible mechanism for these contrasting roles of these cosolvents. The solute-cosolvent hydrophobic-interaction-induced orientational alignment of an interfacial cosolvent molecule determines whether the involvement of the cosolvent molecules in H-bonding with solvent water in the interface is akin to the bulk region or not.

Preventing surgical site infections: a surgeon's perspective.

OpenAIRE

Nichols, R. L.

2001-01-01

Wound site infections are a major source of postoperative illness, accounting for approximately a quarter of all nosocomial infections. National studies have defined the patients at highest risk for infection in general and in many specific operative procedures. Advances in risk assessment comparison may involve use of the standardized infection ratio, procedure-specific risk factor collection, and logistic regression models. Adherence to recommendations in the 1999 Centers for Disease Contro...

Application-Defined Decentralized Access Control

Science.gov (United States)

Xu, Yuanzhong; Dunn, Alan M.; Hofmann, Owen S.; Lee, Michael Z.; Mehdi, Syed Akbar; Witchel, Emmett

2014-01-01

DCAC is a practical OS-level access control system that supports application-defined principals. It allows normal users to perform administrative operations within their privilege, enabling isolation and privilege separation for applications. It does not require centralized policy specification or management, giving applications freedom to manage their principals while the policies are still enforced by the OS. DCAC uses hierarchically-named attributes as a generic framework for user-defined policies such as groups defined by normal users. For both local and networked file systems, its execution time overhead is between 0%–9% on file system microbenchmarks, and under 1% on applications. This paper shows the design and implementation of DCAC, as well as several real-world use cases, including sandboxing applications, enforcing server applications’ security policies, supporting NFS, and authenticating user-defined sub-principals in SSH, all with minimal code changes. PMID:25426493

Ore levels in Paleozoic of Semipalatinsk test site

International Nuclear Information System (INIS)

Ergaliev, G.Kh.; Myasnikov, A.K.; Fomichev, V.I.

1999-01-01

The regularity of the deposition of main mineralization of industrial types within Semipalatinsk test site proves and here and there defines more exactly location of the ore levels in Eastern Kazakhstan. Two mega levels, namely: Cambrian-Ordovician (siliceous-basalt, island-arc) and Carboniferous (especially carbonaceous-tarragons) ones are the most perspective for localizing the leading gold mineralization in the region

Characterization of natural bentonite by NMR; Caracterizacao de bentonitas naturais por ressonancia magnetica nuclear

Energy Technology Data Exchange (ETDEWEB)

Leite, Sidnei Q.M.; Dieguez, Lidia C [Universidade Federal, Rio de Janeiro, RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia; Menezes, Sonia M.C. [PETROBRAS, Rio de Janeiro, RJ (Brazil). Centro de Pesquisas; San Gil, Rosane A.S. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Inst. de Quimica

1994-12-31

Solid state NMR as well as several other instrumental chemical analysis techniques were used in order to characterize two natural occurring bentonite. The methodology is described. The NMR spectra, together with the other used techniques suggest that the observed differences are due to iron inclusions in tetrahedral and octahedral sites 5 refs., 3 figs., 5 tabs.

Define Project

DEFF Research Database (Denmark)

Munk-Madsen, Andreas

2005-01-01

"Project" is a key concept in IS management. The word is frequently used in textbooks and standards. Yet we seldom find a precise definition of the concept. This paper discusses how to define the concept of a project. The proposed definition covers both heavily formalized projects and informally...... organized, agile projects. Based on the proposed definition popular existing definitions are discussed....

Re-entrant lithium local environments and defect driven electrochemistry of Li- and Mn-rich Li-ion battery cathodes.

Science.gov (United States)

Dogan, Fulya; Long, Brandon R; Croy, Jason R; Gallagher, Kevin G; Iddir, Hakim; Russell, John T; Balasubramanian, Mahalingam; Key, Baris

2015-02-18

Direct observations of structure-electrochemical activity relationships continue to be a key challenge in secondary battery research. (6)Li magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy is the only structural probe currently available that can quantitatively characterize local lithium environments on the subnanometer scale that dominates the free energy for site occupation in lithium-ion (Li-ion) intercalation materials. In the present study, we use this local probe to gain new insights into the complex electrochemical behavior of activated 0.5(6)Li2MnO3·0.5(6)LiMn(0.5)Ni(0.5)O2, lithium- and manganese-rich transition-metal (TM) oxide intercalation electrodes. We show direct evidence of path-dependent lithium site occupation, correlated to structural reorganization of the metal oxide and the electrochemical hysteresis, during lithium insertion and extraction. We report new (6)Li resonances centered at ∼1600 ppm that are assigned to LiMn6-TM(tet) sites, specifically, a hyperfine shift related to a small fraction of re-entrant tetrahedral TMs (Mn(tet)), located above or below lithium layers, coordinated to LiMn6 units. The intensity of the TM layer lithium sites correlated with tetrahedral TMs loses intensity after cycling, indicating limited reversibility of TM migrations upon cycling. These findings reveal that defect sites, even in dilute concentrations, can have a profound effect on the overall electrochemical behavior.

A fiducial reference site for satellite altimetry in Crete, Greece

DEFF Research Database (Denmark)

Mertikas, Stelios; Donlon, Craig; Mavrokordatos, Constantin

With the advent of diverse satellite altimeters and variant measuring techniques, it has become mature in the scientific community, that an absolute reference Cal/Val site is regularly maintained to define, monitor, control the responses of any altimetric system. This work sets the ground for the...

A COMPARISON OF APPROACHES TO PRIORITIZING SITES FOR RIPARIAN RESTORATION

Science.gov (United States)

This study compares the results of Olson and Harris (1997) and Russell et al.(1997)in their work to prioritize sites for riparian restoration in the San Luis Rey River watershed. Olson and Harris defined reaches of the mainstem and evaluated the relative potential for restoration...

A molecularly defined duplication set for the X chromosome of Drosophila melanogaster

Energy Technology Data Exchange (ETDEWEB)

Venken, Koen J. T.; Popodi, Ellen; Holtzman, Stacy L.; Schulze, Karen L.; Park, Soo; Carlson, Joseph W.; Hoskins, Roger A.; Bellen, Hugo J.; Kaufman, Thomas C.

2010-07-22

We describe a molecularly defined duplication kit for the X chromosome of Drosophila melanogaster. A set of 408 overlapping P[acman] BAC clones was used to create small duplications (average length 88 kb) covering the 22-Mb sequenced portion of the chromosome. The BAC clones were inserted into an attP docking site on chromosome 3L using C31 integrase, allowing direct comparison of different transgenes. The insertions complement 92% of the essential and viable mutations and deletions tested, demonstrating that almost all Drosophila genes are compact and that the current annotations of the genome are reasonably accurate. Moreover, almost all genes are tolerated at twice the normal dosage. Finally, we more precisely mapped two regions at which duplications cause diplo-lethality in males. This collection comprises the first molecularly defined duplication set to cover a whole chromosome in a multicellular organism. The work presented removes a long-standing barrier to genetic analysis of the Drosophila X chromosome, will greatly facilitate functional assays of X-linked genes in vivo, and provides a model for functional analyses of entire chromosomes in other species.

Defining asthma in genetic studies

NARCIS (Netherlands)

Koppelman, GH; Postma, DS; Meijer, G.

1999-01-01

Genetic studies have been hampered by the lack of a gold standard to diagnose asthma. The complex nature of asthma makes it more difficult to identify asthma genes. Therefore, approaches to define phenotypes, which have been successful in other genetically complex diseases, may be applied to define

catena-Poly[zinc-tris(μ-dimethylcarbamato-κ2O:O′-zinc-μ-(2-phenylbenzimidazolido-κ2N:N′

Directory of Open Access Journals (Sweden)

Mark A. Rodriguez

2012-01-01

Full Text Available The crystal structure of the title compound, [Zn2(C13H9N2(C3H6NO23]n, displays a long chiral chain. This is composed of zinc-dimer clusters capped by dimethylcarbamate ligands, which lie on crystallographic twofold rotation axes and are polymerically linked in one dimension by 2-phenylbenzimidadole (2–PBImi organic ligands. The two Zn2+ ions defining the dimetal cluster are crystallographically independent, but display very similar coordination modes and tetrahedral geometry. As such, each Zn2+ ion is coordinated on one side by the N-donor imidazole linker, while the other three available coordination sites are fully occupied by the O atoms from the capping dimethylcarbamates. The chirality of the chain extends along the c axis, generating a rather long 52.470 (11 Å cell axis. Interestingly, the chiral material crystallizes from completely achiral precursors. A twofold axis and 31 screw axis serve to generate the long asymmetric unit.

Anion mediated polytype selectivity among the basic salts of Co(II)

International Nuclear Information System (INIS)

Ramesh, T.N.; Rajamathi, Michael; Vishnu Kamath, P.

2006-01-01

Basic salts of Co(II) crystallize in the rhombohedral structure. Two different polytypes, 3R 1 and 3R 2 , with distinct stacking sequences of the metal hydroxide slabs, are possible within the rhombohedral structure. These polytypes are generated by simple translation of successive layers by (2/3, 1/3, z) or (1/3, 2/3, z). The symmetry of the anion and the mode of coordination influences polytype selection. Cobalt hydroxynitrate crystallizes in the structure of the 3R 2 polytype while the hydroxytartarate, hydroxychloride and α-cobalt hydroxide crystallize in the structure of the 3R 1 polytype. Cobalt hydroxysulfate is turbostratically disordered. The turbostratic disorder is a direct consequence of the mismatch between the crystallographically defined interlayer sites generated within the crystal and the tetrahedral symmetry of the SO 4 2- ions. - Graphical abstract: (a) Observed PXRD pattern of cobalt hydroxytartarate compared with the DIFFaX simulated patterns of (b) 3R 1 and (c) 3R 2 polytypes, respectively

Piracetam Defines a New Binding Site for Allosteric Modulators of α-amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) receptors§

Science.gov (United States)

Ahmed, Ahmed H.; Oswald, Robert E.

2010-01-01

Glutamate receptors are the most prevalent excitatory neurotransmitter receptors in the vertebrate central nervous system and are important potential drug targets for cognitive enhancement and the treatment of schizophrenia. Allosteric modulators of AMPA receptors promote dimerization by binding to a dimer interface and reducing desensitization and deactivation. The pyrrolidine allosteric modulators, piracetam and aniracetam, were among the first of this class of drugs to be discovered. We have determined the structure of the ligand binding domain of the AMPA receptor subtypes GluA2 and GluA3 with piracetam and a corresponding structure of GluA3 with aniracetam. Both drugs bind to both GluA2 and GluA3 in a very similar manner, suggesting little subunit specificity. However, the binding sites for piracetam and aniracetam differ considerably. Aniracetam binds to a symmetrical site at the center of the dimer interface. Piracetam binds to multiple sites along the dimer interface with low occupation, one of which is a unique binding site for potential allosteric modulators. This new site may be of importance in the design of new allosteric regulators. PMID:20163115

Effect of Dy3+ substitution on structural and magnetic properties of nanocrystalline Ni-Cu-Zn ferrites

Science.gov (United States)

Kabbur, S. M.; Ghodake, U. R.; Nadargi, D. Y.; Kambale, Rahul C.; Suryavanshi, S. S.

2018-04-01

Nanocrystalline Ni0.25Cu0.30Zn0.45DyxFe2-xO4 (x = 0.0, 0.025, 0.05, 0.075, 0.1 and 0.125 mol.) ferrimagnetic oxides have been synthesized by sol-gel autocombustion route. X-ray diffraction study reveals the formation of spinel cubic structure with an expansion of the unit cell by Dy addition. Bertaut method was employed to propose the site occupancy i.e. cation distribution for elements at A-tetrahedral and B-octahedral sites of spinel lattice. The intrinsic vibrational absorption bands i.e. υ1 (712-719 cm-1) and υ2 (496-506 cm-1) are observed for tetrahedral and octahedral sites respectively. The microstructural aspect confirms the formation of an average grain size (∼7-99 nm) with presence of expected elements. Magnetization studies reveal that the magnetic moments are no longer linear but exhibit canting effect due to spin frustration. The frequency dispersion spectrum of initial permeability has been explained based on grain size, saturation magnetization and anisotropy constant. Thermal hysteresis curve (initial permeability versus temperature) indicates magnetic disordering to paramagnetic state at Néel temperature (TN). High values of TN show that the present ferrite samples are cation-ordered with d-electrons contributing towards the magnetic interaction at the sublattice.

Order–disorder phenomena in layered CuCrSe2 crystals

International Nuclear Information System (INIS)

Gagor, A.; Gnida, D.; Pietraszko, A.

2014-01-01

The thermal motion of Cu + ions in a quasi-two dimensional copper ion conductor CuCrSe 2 is studied in the vicinity of the order-disorder phase transition to superionic phase, basing on a single-crystal and powder X-ray diffraction, specific heat and electrical resistivity measurements. The copper ions gradually migrate with temperature decrease to empty tetrahedral sites reaching occupancy equilibrium in the disordered high-temperature phase at T s  = 365 K. The copper migration between Cuα and Cuβ tetrahedral sites occurs through the neighboring, face-sharing octahedral holes. Disorder of Cu + ions brings perturbations in periodic potential of the crystal lattice providing additional scattering centers for electrons. - Graphical abstract: Copper migration within α and β sites. - Highlights: • Single crystals of CuCrSe 2 have been grown by vapor transport. • Thermally activated motion of Cu + ions is analyzed from T = 295 up to 420 K. • An order–disorder phase transition at T s  = 365 K leads to fast ion conducting state. • Interplay between lattice vibrations and Se polarizability accounts for Cu + hops. • Electrical resistivity near the T s shows two additional scattering centers

Order–disorder phenomena in layered CuCrSe{sub 2} crystals

Energy Technology Data Exchange (ETDEWEB)

Gagor, A., E-mail: a.gagor@int.pan.wroc.pl; Gnida, D.; Pietraszko, A.

2014-08-01

The thermal motion of Cu{sup +} ions in a quasi-two dimensional copper ion conductor CuCrSe{sub 2} is studied in the vicinity of the order-disorder phase transition to superionic phase, basing on a single-crystal and powder X-ray diffraction, specific heat and electrical resistivity measurements. The copper ions gradually migrate with temperature decrease to empty tetrahedral sites reaching occupancy equilibrium in the disordered high-temperature phase at T{sub s} = 365 K. The copper migration between Cuα and Cuβ tetrahedral sites occurs through the neighboring, face-sharing octahedral holes. Disorder of Cu{sup +} ions brings perturbations in periodic potential of the crystal lattice providing additional scattering centers for electrons. - Graphical abstract: Copper migration within α and β sites. - Highlights: • Single crystals of CuCrSe{sub 2} have been grown by vapor transport. • Thermally activated motion of Cu{sup +} ions is analyzed from T = 295 up to 420 K. • An order–disorder phase transition at T{sub s} = 365 K leads to fast ion conducting state. • Interplay between lattice vibrations and Se polarizability accounts for Cu{sup +} hops. • Electrical resistivity near the T{sub s} shows two additional scattering centers.

Socioeconomic monitoring and mitigation plan for site characterization: Revision 1

International Nuclear Information System (INIS)

1988-01-01

The objective of the SMMP is to document compliance with the NWPA. In order to do so, a summary description of site characterization activities based on the consultation draft of the Site Characterization Plan and the final EA is provided. Subsequent chapters identify issues related to the potential for significant adverse impacts and the monitoring plans proposed to determine whether those impacts occur. Should monitoring confirm the potential for significant adverse impact, mitigative maesures will be developed. In the context of site characterization, mitigation is defined as those changes in site characterization activities that serve to avoid or minimize, to the maximum extent practicable, any significant adverse environmental impacts. Proposed site characterization activites involve a variety of surface and subsurface activities including site preparation, access road construction and improvment, exploratory drilling and testing, geophysical surveys, geological mapping, and construction of the exploratory shaft facility. It is not anticipated that any significant adverse socioeconomic impacts will result form any of the proposed site characterization activities. However, the assessment of impacts in the EA, especially impacts related to employment and population growth, was based on assumptions concerning activities and conditions during the site characterization phase

“Doing the Wrong Things Right” Site Investigations in Soft Soil

Science.gov (United States)

Jamilus, M. H.; Lim, A. J. M. S.; Azhar, A. T. S.; Azmi, M. A. M.

2016-11-01

Site investigation is a very important process by which geotechnical, geological and other relevant information which might affect the construction or performance of a civil engineering or building project is acquired. However, common practice in site investigations is not always in accordance to the standard that has been defined. Reliability on the information obtained depends upon several factors that involves correct procedures and competent workers and also supervision. Several examples on site investigation methods are discussed in this paper. Explanation on the difference between the site investigation methods used for real practices in the field and how it should be done are discussed in detail. Therefore, it is hoped that site investigation should always be uniquely planned and should be an interactive and flexible process of discovery and changes according to the condition of the soil.

Nevada Test Site, site treatment plan 1999 annual update

International Nuclear Information System (INIS)

1999-03-01

A Site Treatment Plan (STP) is required for facilities at which the US Department of Energy Nevada Operations Office (DOE/NV) generates or stores mixed waste (MW), defined by the Federal Facility Compliance Act (FFC Act) as waste containing both a hazardous waste subject to the Resource Conservation and Recovery Act (RCRA) and a radioactive material subject to the Atomic Energy Act. This STP was written to identify specific treatment facilities for treating DOE/NV generated MW and provides proposed implementation schedules. This STP was approved by the Nevada Division of Environmental Protection (NDEP) and provided the basis for the negotiation and issuance of the FFC Act Consent Order (CO) dated March 6, 1996, and revised June 15, 1998. The FFC Act CO sets forth stringent regulatory requirements to comply with the implementation of the STP

Understanding the Hydro-metathesis Reaction of 1-decene by Using Well-defined Silica Supported W, Mo, Ta Carbene/Carbyne Complexes

KAUST Repository

Saidi, Aya; Samantaray, Manoja; Tretiakov, Mykyta; Kavitake, Santosh Giridhar; Basset, Jean-Marie

2017-01-01

Direct conversion of 1-decene to petroleum range alkanes was obtained using hydro-metathesis reaction. To understand this reaction we employed three different well-defined single site catalysts precursors; [(≡Si-O-)W(CH3)5] 1, [(≡Si-O-)Mo(≡CtBu)(CH2

Collaboration in long-term stewardship at DOE Hanford Site

Energy Technology Data Exchange (ETDEWEB)

Moren, R. J.; Zeisloft, J. H.; Feist, E. T.; Brown, D.; Grindstaff, K. D.

2013-01-10

The U.S. Department of Energy's (DOE) Hanford Site comprises approximately 1,517 km{sup 2} (586 mi{sup 2}) of land in southeastern Washington. The site was established in 1943 as part of the Manhattan Project to produce plutonium for the nation's nuclear weapons program. As the Cold War era came to an end, the mission of the site transitioned from weapons production to environmental cleanup. As the River Corridor area of the site cleanup is completed, the mission for that portion of the site will transition from active cleanup to continued protection of environment through the Long-Term Stewardship (LTS) Program. The key to successful transition from cleanup to LTS is the unique collaboration among three (3) different DOE Programs and three (3) different prime contractors with each contractor having different contracts. The LTS Program at the site is a successful model of collaboration resulting in efficient resolution of issues and accelerated progress that supports DOE's Richland Office 2015 Vision for the Hanford Site. The 2015 Vision for the Hanford Site involves shrinking the active cleanup footprint of the surface area of the site to approximately 20 mi{sup 2} on the Central Plateau. Hanford's LTS Program is defined in DOE's planning document, Hanford Long-Term Stewardship Program Plan, DOE/RL-2010-35 Rev 1. The Plan defines the relationship and respective responsibilities between the federal cleanup projects and the LTS Program along with their respective contractors. The LTS Program involves these different parties (cleanup program and contractors) who must work together to achieve the objective for transition of land parcels. Through the collaborative efforts with the prime contractors on site over the past two years, 253.8 km{sup 2} (98 mi{sup 2}) of property has been successfully transitioned from the cleanup program to the LTS Program upon completion of active surface cleanup. Upcoming efforts in the near term will include transitioning another large

Potential sites for a spent unreprocessed fuel facility (SURFF), southwesten part of the Nevada Test Site

International Nuclear Information System (INIS)

Hoover, D.L.; Eckel, E.B.; Ohl, J.P.

1978-01-01

In the absence of specific criteria, the topography, geomorphology, and geology of Jackass Flats and vicinity in the southwestern part of the Nevada Test Site are evaluated by arbitrary guidelines for a Spent Unreprocessed Fuel Facility. The guidelines include requirements for surface slopes of less than 5%, 61 m of alluvium beneath the site, an area free of active erosion or deposition, lack of faults, a minimum area of 5 km 2 , no potential for flooding, and as many logistical support facilities as possible. The geology of the Jackass Flats area is similar to the rest of the Nevada Test Site in topographic relief (305-1,200 m), stratigraphy (complexly folded and faulted Paleozoic sediments overlain by Tertiary ash-flow tuffs and lavas overlain in turn by younger alluvium), and structure (Paleozoic thrust faults and folds, strike-slip faults, proximity to volcanic centers, and Basin and Range normal faults). Of the stratigraphic units at the potential Spent Unreprocessed Fuel Facility site in Jackass Flats, only the thickness and stability of the alluvium are of immediate importance. Basin and Range faults and a possible extension of the Mine Mountain fault need further investigation. The combination of a slope map and a simplified geologic and physiographic map into one map shows several potential sites for a Spent Unreprocessed Fuel Facility in Jackass Flats. The potential areas have slopes of less than 5% and contain only desert pavement or segmented pavement--the two physiographic categories having the greatest geomorphic and hydraulic stability. Before further work can be done, specific criteria for a Spent Unreprocessed Fuel Facility site must be defined. Following criteria definition, potential sites will require detailed topographic and geologic studies, subsurface investigations (including geophysical methods, trenching, and perhaps shallow drilling for faults in alluvium), detailed surface hydrologic studies, and possibly subsurface hydrologic studies

Corrective Action Investigation Plan for Corrective Action Unit 139: Waste Disposal Sites, Nevada Test Site, Nevada

International Nuclear Information System (INIS)

Grant Evenson

2006-01-01

Corrective Action Unit (CAU) 139 is located in Areas 3, 4, 6, and 9 of the Nevada Test Site, which is 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit 139 is comprised of the seven corrective action sites (CASs) listed below: (1) 03-35-01, Burn Pit; (2) 04-08-02, Waste Disposal Site; (3) 04-99-01, Contaminated Surface Debris; (4) 06-19-02, Waste Disposal Site/Burn Pit; (5) 06-19-03, Waste Disposal Trenches; (6) 09-23-01, Area 9 Gravel Gertie; and (7) 09-34-01, Underground Detection Station. These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives with the exception of CASs 09-23-01 and 09-34-01. Regarding these two CASs, CAS 09-23-01 is a gravel gertie where a zero-yield test was conducted with all contamination confined to below ground within the area of the structure, and CAS 09-34-01 is an underground detection station where no contaminants are present. Additional information will be obtained by conducting a corrective action investigation (CAI) before evaluating corrective action alternatives and selecting the appropriate corrective action for the other five CASs where information is insufficient. The results of the field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed on January 4, 2006, by representatives of the Nevada Division of Environmental Protection; U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office; Stoller-Navarro Joint Venture; and Bechtel Nevada. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 139

Collaboration in Long-Term Stewardship at DOE's Hanford Site - 13019

International Nuclear Information System (INIS)

Moren, Rick; Brown, David; Feist, Ella; Grindstaff, Keith; Zeisloft, Jamie

2013-01-01

The U.S. Department of Energy's (DOE) Hanford Site comprises approximately 1,517 km 2 (586 mi 2 ) of land in southeastern Washington. The site was established in 1943 as part of the Manhattan Project to produce plutonium for the nation's nuclear weapons program. As the Cold War era came to an end, the mission of the site transitioned from weapons production to environmental cleanup. As the River Corridor area of the site cleanup is completed, the mission for that portion of the site will transition from active cleanup to continued protection of environment through the Long-Term Stewardship (LTS) Program. The key to successful transition from cleanup to LTS is the unique collaboration among three (3) different DOE Programs and three (3) different prime contractors with each contractor having different contracts. The LTS Program at the site is a successful model of collaboration resulting in efficient resolution of issues and accelerated progress that supports DOE's Richland Office 2015 Vision for the Hanford Site. The 2015 Vision for the Hanford Site involves shrinking the active cleanup footprint of the surface area of the site to approximately 20 mi 2 on the Central Plateau. Hanford's LTS Program is defined in DOE's planning document, Hanford Long-Term Stewardship Program Plan [1]. The Plan defines the relationship and respective responsibilities between the federal cleanup projects and the LTS Program along with their respective contractors. The LTS Program involves these different parties (cleanup program and contractors) who must work together to achieve the objective for transition of land parcels. Through the collaborative efforts with the prime contractors on site over the past two years,, 253.8 km 2 (98 mi 2 ) of property has been successfully transitioned from the cleanup program to the LTS Program upon completion of active surface cleanup. Upcoming efforts in the near term will include transitioning another large parcel that includes one of the six (6

Effect of mating materials on wear properties of amorphous hydrogenated carbon (a-C:H coating and tetrahedral amorphous carbon (ta-C coating in base oil boundary lubrication condition

Directory of Open Access Journals (Sweden)

Xiang Li

2017-12-01

Full Text Available In this study, wear behavior of amorphous hydrogenated carbon (a-C:H coating and tetrahedral amorphous carbon (ta-C coating when sliding against various mating materials in base oil boundary lubrication condition is comparatively investigated to find out the optimal combinations of DLC/mating material and corresponding wear mechanism of both DLC coating. Tribological tests were performed in a cylinder-on-disc tribometer, Field Emission Scanning Electron Microscopy, Raman spectroscopy is used for characterization of ta-C and a-C:H worn surface. The results show that the specific wear rate of ta-C coating increases along with the hardness and roughness of mating material increases, while the specific wear rate of a-C:H coating increases together with an increment in the ID/IG ratio. It is concluded that for ta-C coating, local stress concentration-induced microfracture is the main wear mechanism in relative high wear scenario, along with minor graphitization-induced wear which prevails in low wear scenario. On the other hand, a-C:H coating showed that simultaneous generation and removal of the graphitized layer on the contact surface is the predominant wear mechanism.

Nuclear Energy Center Site Survey, 1975. Part III. Technical considerations

International Nuclear Information System (INIS)

1976-01-01

Studies of the technical feasibility of nuclear energy centers (NECs) and the comparison between NEC technical feasibility and that of nuclear facilities on dispersed sites are reviewed. The conclusions related to technical feasibility of NEC are summarized. Technical feasibility was found to rest mainly on five major issues: heat dissipation, transmission, facility construction, radiological impact, and environmental impact. Although general conclusions can be reached in these five areas, it is recognized that they are interdependent, and detailed site-by-site analysis will be necessary. Some general conclusions on technical feasibility of NECs are presented, then detailed conclusions derived from the technical evaluation of NECs compared to dispersed site facilities are presented. The findings of this study on each of the five major feasibility issues are then discussed in sequence. The study concludes that nuclear energy centers, as defined herein, are technically feasible

Site characterization and validation. Stage 2 - Preliminary predictions

International Nuclear Information System (INIS)

Olsson, O.; Black, J.H.; Gale, J.E.; Holmes, D.C.

1989-05-01

The Site Characterization and Validation (SCV) project is designed to assess how well we can characterize a volume of rock prior to using it as a repository. The programme of work focuses on the validation of the techniques used in site characterization. The SCV project contains 5 stages of work arranged in two 'cycles' of data-gathering, prediction, and validation. The first stage of work has included drilling of 6 boreholes (N2, N3, N4, W1, W2 and V3) and measurements of geology, fracture characteristics, stess, single borehole geophysical logging, radar, seismics and hydrogeology. The rock at the SCV site is granite with small lithological variations. Based essentially on radar and seismic results 5 'fracture zones' have been identified, named GA, GB, GC, GH and GI. They all extend acroos the entire SCV site. They aer basically in in two groups (GA, GB, GC and GH, GI). The first group are aligned N40 degree E with a dip of 35 degree to the south. The second group are aligned approximately N10 degree W dipping 60 degree E. From the stochastic analysis of the joint data it was possible to identify three main fracture orientation clusters. The orientation of two of these clusters agree roughly with orientation of the main features. Cluster B has roughly the same orientation as GH and GI, while features GA, GB and GC have an orientation similar to the more loosely defined cluster C. The orientation of the third cluster (A) is northwest with a dip to northeast. It is found that 94% of all measured hydraulic transmissivity is accounted for by 4% of the tested rock, not all of this 'concentrated' transmissivity is with the major features defined by geophysics. When the hydraulic connections across the site are examied they show that there are several welldefined zones which permit rapid transmission of hydraulic signals. These are essentially from the northeast to the southwest. (66 figs., 21 tabs., 33 refs.)

Integrating intrusive and nonintrusive characterization methods to achieve a conceptual site model for the SLDA FUSRAP site

International Nuclear Information System (INIS)

Durham, L.A.; Peterson, J.M.; Frothingham, D.G.; Frederick, W.T.; Lenart, W.

2008-01-01

The US Army Corps of Engineers (USACE) is addressing radiological contamination following Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) requirements at the Shallow Land Disposal Area (SLDA) site, which is a radiologically contaminated property that is part of the Formerly utilized Sites Remedial Action Program (FUSRAP). The SLDA is an 18-hectare (44-acre) site in Parks township, Armstrong County, Pennsylvania, about 37 kilometers (23 miles) east-northeast of Pittsburgh. According to historical record, radioactive wastes were disposed of at the SLDA in a series of trenches by the Nuclear Materials and Equipment Company (NUMEC) in the 1960s. The wastes originated from the nearby Apollo nuclear fuel fabrication facility, which began operations under NUMEC in the late 1950s and fabricated enriched uranium into naval reactor fuel elements. It is believed that the waste materials were buried in a series of pits constructed adjacent to one another in accordance with an Atomic Energy Commission (AEC) regulation that has since been rescinded. A CERCLA remedial investigation/feasibility study (RI/FS) process was completed for the SLDA site, and the results of the human health risk assessment indicated that the radiologically contaminated wastes could pose a risk to human health in the future. There are no historical records that provide the exact location of these pits. However, based on geophysical survey results conducted in the 1980s, these pits were defined by geophysical anomalies and were depicted on historical site drawings as trenches. At the SLDA site, a combination of investigative methods and tools was used in the RI/FS and site characterization activities. The SLDA site provides an excellent example of how historical documents and data, historical aerial photo analysis, physical sampling, and nonintrusive geophysical and gamma walkover surveys were used in combination to reduce the uncertainty in the location of the trenches. The

Sellafield site (including Drigg) emergency scheme manual

International Nuclear Information System (INIS)

1987-02-01

This Emergency Scheme defines the organisation and procedures available should there be an accident at the Sellafield Site which results in, or may result in, the release of radioactive material, or the generation of a high radiation field, which might present a hazard to employees and/or the general public. This manual covers the general principles of the total emergency scheme and those detailed procedures which are not specific to any single department. (U.K.)

Clinical relevance of surgical site infection as defined by the criteria of the Centers for Disease Control and Prevention

DEFF Research Database (Denmark)

Henriksen, N A; Meyhoff, C S; Wetterslev, J

2010-01-01

Surgical site infection (SSI) is a common complication after abdominal surgery and the Centers for Disease Control and Prevention (CDC) criteria are commonly used for diagnosis and surveillance. The aim of this study was to evaluate whether SSI diagnosed according to CDC is clinically relevant (C...... a suitable standard definition for monitoring and identifying SSI, even if some cases of less clinically significant superficial SSI are included.......Surgical site infection (SSI) is a common complication after abdominal surgery and the Centers for Disease Control and Prevention (CDC) criteria are commonly used for diagnosis and surveillance. The aim of this study was to evaluate whether SSI diagnosed according to CDC is clinically relevant...... hospital stay or referral to an intensive care unit for SSI. The rate of CRSSI was 38 of 54 (70%) in patients with CDC-diagnosed SSI and none in patients without a CDC-diagnosed SSI. Sixty-one percent of the CDC-diagnosed SSIs were superficial, of which 48% were considered clinically relevant...

Replacement cross-site transfer system project W-058 safety class upgrade summary report

International Nuclear Information System (INIS)

Schlosser, R.L.

1998-01-01

This report evaluates the design of the replacement cross-site transfer system structures, systems, and components for safety related applications as defined in the Tank Waste Remediation Systems Basis for Interim Operations

Technical specifications for the Pajarito Site Critical Experiments Facility

International Nuclear Information System (INIS)

Malenfant, R.E.; Paxton, H.C.

1980-12-01

This document is to satisfy the requirement for technical specifications spelled out in DOE Manual Chapter 0540, Safety of DOE-Owned Reactors. Technical specifications are defined in Sec. 0540-048, and the requirement for them appears in Sec. 0540-015. The following technical specifications update the document, Technical Specifications for the Pajarito Site Critical Experiments Facility