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Sample records for single tetrahedral coordination

  1. 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

  2. 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.

  3. 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.

  4. 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.

  5. Electronic Transitions as a Probe of Tetrahedral versus Octahedral Coordination in Nickel(II) Complexes: An Undergraduate Inorganic Chemistry Experiment.

    Science.gov (United States)

    Filgueiras, Carlos A. L.; Carazza, Fernando

    1980-01-01

    Discusses procedures, theoretical considerations, and results of an experiment involving the preparation of a tetrahedral nickel(II) complex and its transformation into an octahedral species. Suggests that fundamental aspects of coordination chemistry can be demonstrated by simple experiments performed in introductory level courses. (Author/JN)

  6. 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.

  7. Controlling the Recognition and Reactivity of Alkyl Ammonium Guests using an Anion Coordination-based Tetrahedral Cage.

    Science.gov (United States)

    Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L; Yang, Xiao-Juan; Wu, Biao

    2018-03-27

    Caged structures have found wide application in a variety of areas, including guest encapsulation and catalysis. Although metal-based cages have dominated the field, anion-coordination-based cages are emerging as a new type of supramolecular ensemble with interesting host-guest properties. In the current work, we report a C3-symmetric tris-bis(urea) ligand based on the 2,4,6-triphenyl-1,3,5-triazine spacer, which assembles with phosphate anions to form an A4L4-type (A = anion, L = ligand) tetrahedral cage, 3, with unusually high packing coefficients (up to 99.5% for the best substrate). Cage 3 is able to adjust its size and shape (from 136 to 216 Å3) by bending of the triphenyltriazine plane. This allows it to accommodate relatively large guests. In the case of DABCO, inclusion within the cage allows the degree of methylation to be controlled and the monomethylated product to be isolated cleanly under conditions where mixtures of the mono- and dimethylated adduct are obtained in the absence of cage 3.

  8. 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

  9. Effect of tetrahedral amorphous carbon coating on the resistivity and wear of single-walled carbon nanotube network

    Energy Technology Data Exchange (ETDEWEB)

    Iyer, Ajai, E-mail: ajai.iyer@aalto.fi; Etula, Jarkko; Liu, Xuwen; Koskinen, Jari [Department of Materials Science and Engineering, School of Chemical Technology, Aalto University, P.O. Box 16200, 00076 Espoo (Finland); Kaskela, Antti; Kauppinen, Esko I. [NanoMaterials Group, Department of Applied Physics, School of Science, Aalto University, P.O. Box 15100, 00076 Espoo (Finland); Novikov, Serguei [Department of Micro and Nanosciences, Aalto University, P.O. Box 13500, 00076 Aalto (Finland)

    2016-05-14

    Single walled carbon nanotube networks (SWCNTNs) were coated by tetrahedral amorphous carbon (ta-C) to improve the mechanical wear properties of the composite film. The ta-C deposition was performed by using pulsed filtered cathodic vacuum arc method resulting in the generation of C+ ions in the energy range of 40–60 eV which coalesce to form a ta-C film. The primary disadvantage of this process is a significant increase in the electrical resistance of the SWCNTN post coating. The increase in the SWCNTN resistance is attributed primarily to the intrinsic stress of the ta-C coating which affects the inter-bundle junction resistance between the SWCNTN bundles. E-beam evaporated carbon was deposited on the SWCNTNs prior to the ta-C deposition in order to protect the SWCNTN from the intrinsic stress of the ta-C film. The causes of changes in electrical resistance and the effect of evaporated carbon thickness on the changes in electrical resistance and mechanical wear properties have been studied.

  10. 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)

  11. Tetrahedral Order in Liquid Crystals

    Science.gov (United States)

    Pleiner, Harald; Brand, Helmut R.

    2016-10-01

    We review the impact of tetrahedral order on the macroscopic dynamics of bent-core liquid crystals. We discuss tetrahedral order comparing with other types of orientational order, like nematic, polar nematic, polar smectic, and active polar order. In particular, we present hydrodynamic equations for phases, where only tetrahedral order exists or tetrahedral order is combined with nematic order. Among the latter, we discriminate between three cases, where the nematic director (a) orients along a fourfold, (b) along a threefold symmetry axis of the tetrahedral structure, or (c) is homogeneously uncorrelated with the tetrahedron. For the optically isotropic T d phase, which only has tetrahedral order, we focus on the coupling of flow with, e.g., temperature gradients and on the specific orientation behavior in external electric fields. For the transition to the nematic phase, electric fields lead to a temperature shift that is linear in the field strength. Electric fields induce nematic order, again linear in the field strength. If strong enough, electric fields can change the tetrahedral structure and symmetry leading to a polar phase. We briefly deal with the T phase that arises when tetrahedral order occurs in a system of chiral molecules. To case (a), defined above, belong (i) the non-polar, achiral, optically uniaxial D2d phase with ambidextrous helicity (due to a linear gradient free energy contribution) and with orientational frustration in external fields, (ii) the non-polar tetragonal S4 phase, (iii) the non-polar, orthorhombic D2 phase that is structurally chiral featuring ambidextrous chirality, (iv) the polar orthorhombic C2v phase, and (v) the polar, structurally chiral, monoclinic C2 phase. Case (b) results in a trigonal C3v phase that behaves like a biaxial polar nematic phase. An example for case (c) is a splay bend phase, where the ground state is inhomogeneous due to a linear gradient free energy contribution. Finally, we discuss some experiments

  12. Thermal properties of tetrahedral compounds

    International Nuclear Information System (INIS)

    Kagaya, H.M.; Soma, T.

    1987-01-01

    The thermal properties of tetrahedral compounds are studied theoretically from first principle using the lattice dynamical method recently developed. Numerical calculations about the specific heat are performed for AlP, AlAs, AlSb and about the thermal expansion coefficient for AlP, AlAs, AlSb, ZnS, ZnSe, ZnTe, and CdTe. (author)

  13. A family of mixed-metal cyanide cubes with alternating octahedral and tetrahedral corners exhibiting a variety of magnetic behaviors including single molecule magnetism.

    Science.gov (United States)

    Schelter, Eric J; Karadas, Ferdi; Avendano, Carolina; Prosvirin, Andrey V; Wernsdorfer, Wolfgang; Dunbar, Kim R

    2007-07-04

    A series of structurally related pseudocubic metal cyanide clusters of Re(II) and 3d metal ions [{MX}4{Re(triphos)(CN)3}4] (M = Mn, Fe, Co, Ni, Zn; X = Cl, I, -OCH3) have been prepared, and their magnetic and electrochemical properties have been probed to evaluate the effect of changing the identity of the 3d metal ion. Electrochemistry of the clusters reveals several rhenium-based oxidation and reduction processes, some of which result in cluster fragmentation. The richest electrochemistry was observed for the iron congener, which exists as the Re(I)/Fe(III) cluster at the resting potential and exhibits six clear one-electron reversible redox couples and two, closely spaced one-electron quasi-reversible processes. The [{MnIICl}4{ReII(triphos)(CN)3}4] complex exhibits single molecule magnetism with a fast tunneling relaxation process observed at H = 0 determined by micro-SQUID magnetization measurements. A comparative evaluation of the magnetic properties across the series reveals that the compounds exhibit antiferromagnetic coupling between the metal ions, except for [{NiIICl}4{ReII(triphos)(CN)3}4] that shows ferromagnetic behavior. Despite the large ground-state spin value of [{NiIICl}4{ReII(triphos)(CN)3}4] (S = 6), only manganese congeners exhibit SMM behavior to 1.8 K.

  14. NEW RSW & Wall Medium Fully Tetrahedral Grid

    Data.gov (United States)

    National Aeronautics and Space Administration — New Medium Fully Tetrahedral RSW Grid with viscous wind tunnel wall at the root. This grid is for a node-based unstructured solver. Medium Tet: Quad Surface Faces= 0...

  15. NEW RSW & Wall Fine Fully Tetrahedral Grid

    Data.gov (United States)

    National Aeronautics and Space Administration — NEW RSW Fine Fully Tetrahedral Grid with Viscous Wind Tunnel wall at the root. This grid is for a node-based unstructured solver. Note that the CGNS file is very...

  16. Super-Resolution Definition of Coordinates of Single Semiconductor Nanocrystal (Quantum Dot: Luminescence Intensity Dependence

    Directory of Open Access Journals (Sweden)

    Eremchev M. Yu.

    2015-01-01

    Full Text Available In this research a relation between the accuracy of restoration of the single quantum dots (QD CdSe/CdS/ZnS cross-cut coordinates and luminescence intensity was investigated. It was shown that the limit of the accuracy of determining the coordinates of a single QD for a considerable total amount of registered photons approaches its limiting value that is comparable to the size of the QD. It also means that the installation used in the research is mechanically stable enough to reach the limiting values of determination accuracy of point emitters coordinates.

  17. 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

  18. Direct measurement and modulation of single-molecule coordinative bonding forces in a transition metal complex

    DEFF Research Database (Denmark)

    Hao, Xian; Zhu, Nan; Gschneidtner, Tina

    2013-01-01

    remain a daunting challenge. Here we demonstrate an interdisciplinary and systematic approach that enables measurement and modulation of the coordinative bonding forces in a transition metal complex. Terpyridine is derived with a thiol linker, facilitating covalent attachment of this ligand on both gold...... substrate surfaces and gold-coated atomic force microscopy tips. The coordination and bond breaking between terpyridine and osmium are followed in situ by electrochemically controlled atomic force microscopy at the single-molecule level. The redox state of the central metal atom is found to have......Coordination chemistry has been a consistently active branch of chemistry since Werner's seminal theory of coordination compounds inaugurated in 1893, with the central focus on transition metal complexes. However, control and measurement of metal-ligand interactions at the single-molecule level...

  19. Magnetic anisotropy of a Co-II single ion magnet with distorted trigonal prismatic coordination

    DEFF Research Database (Denmark)

    Peng, Yan; Bodenstein, Tilmann; Fink, Karin

    2016-01-01

    (methanylylidene)) bis(2-methoxyphenol) coordinates to Co(II) does indeed lead to enhanced single-ion behaviour as has previously been predicted. Synthesis of the compound, structural information, and static as well as dynamic magnetic data are presented along with an analysis using quantum chemical ab initio......The single ion magnetic properties of Co(II) are affected by the details of the coordination geometry of the ion. Here we show that a geometry close to trigonal prismatic which arises when the ligand 6,6'-((1Z)-((piperazine-1,4-diylbis(propane-3,1-diyl)) bis(azanylylidene)) bis...... calculations. Though the complex shows a slight deviation from an ideal trigonal prismatic coordination, the zero-field splitting as well as the g-tensor are strongly axial with D = -41 cm(-1) and E

  20. PI and repetitive control for single phase inverter based on virtual rotating coordinate system

    Science.gov (United States)

    Li, Mengqi; Tong, Yibin; Jiang, Jiuchun; Liang, Jiangang

    2018-03-01

    Microgrid technology developed rapidly and nonlinear loads were connected increasingly. A new control strategy was proposed for single phase inverter when connected nonlinear loads under island condition. PI and repetitive compound controller was realized under synchronous rotating coordinate system and acquired high quality sinusoidal voltage output without voltage spike when loads step changed. Validity and correctness were verified by simulation using MATLAB/Simulink.

  1. Design of an omnidirectional single-point photodetector for large-scale spatial coordinate measurement

    Science.gov (United States)

    Xie, Hongbo; Mao, Chensheng; Ren, Yongjie; Zhu, Jigui; Wang, Chao; Yang, Lei

    2017-10-01

    In high precision and large-scale coordinate measurement, one commonly used approach to determine the coordinate of a target point is utilizing the spatial trigonometric relationships between multiple laser transmitter stations and the target point. A light receiving device at the target point is the key element in large-scale coordinate measurement systems. To ensure high-resolution and highly sensitive spatial coordinate measurement, a high-performance and miniaturized omnidirectional single-point photodetector (OSPD) is greatly desired. We report one design of OSPD using an aspheric lens, which achieves an enhanced reception angle of -5 deg to 45 deg in vertical and 360 deg in horizontal. As the heart of our OSPD, the aspheric lens is designed in a geometric model and optimized by LightTools Software, which enables the reflection of a wide-angle incident light beam into the single-point photodiode. The performance of home-made OSPD is characterized with working distances from 1 to 13 m and further analyzed utilizing developed a geometric model. The experimental and analytic results verify that our device is highly suitable for large-scale coordinate metrology. The developed device also holds great potential in various applications such as omnidirectional vision sensor, indoor global positioning system, and optical wireless communication systems.

  2. Motor learning of novel dynamics is not represented in a single global coordinate system: evaluation of mixed coordinate representations and local learning.

    Science.gov (United States)

    Berniker, Max; Franklin, David W; Flanagan, J Randall; Wolpert, Daniel M; Kording, Konrad

    2014-03-01

    Successful motor performance requires the ability to adapt motor commands to task dynamics. A central question in movement neuroscience is how these dynamics are represented. Although it is widely assumed that dynamics (e.g., force fields) are represented in intrinsic, joint-based coordinates (Shadmehr R, Mussa-Ivaldi FA. J Neurosci 14: 3208-3224, 1994), recent evidence has questioned this proposal. Here we reexamine the representation of dynamics in two experiments. By testing generalization following changes in shoulder, elbow, or wrist configurations, the first experiment tested for extrinsic, intrinsic, or object-centered representations. No single coordinate frame accounted for the pattern of generalization. Rather, generalization patterns were better accounted for by a mixture of representations or by models that assumed local learning and graded, decaying generalization. A second experiment, in which we replicated the design of an influential study that had suggested encoding in intrinsic coordinates (Shadmehr and Mussa-Ivaldi 1994), yielded similar results. That is, we could not find evidence that dynamics are represented in a single coordinate system. Taken together, our experiments suggest that internal models do not employ a single coordinate system when generalizing and may well be represented as a mixture of coordinate systems, as a single system with local learning, or both.

  3. Coordinated single-phase control scheme for voltage unbalance reduction in low voltage network.

    Science.gov (United States)

    Pullaguram, Deepak; Mishra, Sukumar; Senroy, Nilanjan

    2017-08-13

    Low voltage (LV) distribution systems are typically unbalanced in nature due to unbalanced loading and unsymmetrical line configuration. This situation is further aggravated by single-phase power injections. A coordinated control scheme is proposed for single-phase sources, to reduce voltage unbalance. A consensus-based coordination is achieved using a multi-agent system, where each agent estimates the averaged global voltage and current magnitudes of individual phases in the LV network. These estimated values are used to modify the reference power of individual single-phase sources, to ensure system-wide balanced voltages and proper power sharing among sources connected to the same phase. Further, the high X / R ratio of the filter, used in the inverter of the single-phase source, enables control of reactive power, to minimize voltage unbalance locally. The proposed scheme is validated by simulating a LV distribution network with multiple single-phase sources subjected to various perturbations.This article is part of the themed issue 'Energy management: flexibility, risk and optimization'. © 2017 The Author(s).

  4. Small Power Technology for Tetrahedral Rovers

    Science.gov (United States)

    Clark, P. E.; Floyd, S. R.; Butler, C. D.; Flom, Y.

    2006-01-01

    The Small Power Technology (SPOT) being studied at GSFC has the potential to be an efficient and compact radioisotope based electrical power system. Such a system would provide power for innovative tetrahedral robotic arms and walkers to support the lunar exploration initiative within the next decade. Presently, NASA has designated two flight qualified Radioisotope Power Supplies (RPS): the Multi-Mission RTG (MMRTG) which uses thermocouple technology and the more efficient but more massive Stirling RTG (SRTG) which uses a mechanical heat (Stirling) engine technology. With SPOT, thermal output from a radioisotope source is converted to electrical power using a combination of shape memory material and piezoelectric crystals. The SPOT combined energy conversion technologies are potentially more efficient than thermocouples and do not require moving parts, thus keeping efficiency high with an excellent mass to power ratio. Applications of particular interest are highly modular, addressable, reconfigurable arrays of tetrahedral structural components designed to be arms or rovers with high mobility in rough terrain. Such prototypes are currently being built at GSFC. Missions requiring long-lived operation in unilluminated environments preclude the use of solar cells as the main power source and must rely on the use of RPS technology. The design concept calls for a small motor and battery assembly for each strut, and thus a distributed power system. We estimate, based on performance of our current tetrahedral prototypes and power scaling for small motors, that such devices require tens of watts of power output per kilogram of power supply. For these reasons, SPOT is a good candidate for the ART (addressable Reconfigurable Technology) baseline power system.

  5. Phosphorescent Decanuclear Bimetallic Pt6M4(M = Zn, Fe) Tetrahedral Cages.

    Science.gov (United States)

    Zhang, Yuzhen; Crawley, Matthew R; Hauke, Cory E; Friedman, Alan E; Cook, Timothy R

    2017-04-17

    Coordination-driven self-assembly delivers discrete, nanoscopic architectures that may preserve or enhance the physicochemical properties of their parent building blocks. Herein, we report the syntheses, characterization, and photophysical properties of two tetrahedral cages, [Zn II 4 L 6 ](PF 6 ) 8 (C1) and [Fe II 4 L 6 ](OTf) 8 (C2), where L = Pt II (PEt 3 ) 2 (C≡C-bpy) 2 (PEt 3 = triethylphosphine; C≡C-bpy = 5-ethynyl-2,2'-bipyridine) and OTf = trifluoromethanesulfonate. C1 and C2 were assembled in isolated yields of 72% and 81% by treating 2 equiv of Zn(NO 3 ) 2 ·6H 2 O or Fe(OTf) 2 with 3 equiv of L, respectively. Both cages were fully characterized by NMR, electrospray ionization mass spectrometry, and single-crystal X-ray diffraction (SCXRD). The local D 3 symmetry at each polypyridyl metal node raises the possibility of a number of isomeric cages; however, only the homochiral enantiomers (ΔΔΔΔ and ΛΛΛΛ) are formed based on 1 H NMR and SCXRD. C1 exhibits phosphorescence centered at 545 nm with a quantum yield of 10% in N 2 -degassed acetonitrile at 25 °C. The quantum yield of C2 is significantly lower due to a nonradiative relaxation from 5 MC (MC = metal-centered) states introduced by the Fe II nodes.

  6. 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.

  7. Multi-Channel Distributed Coordinated Function over Single Radio in Wireless Sensor Networks

    Directory of Open Access Journals (Sweden)

    Kok-Keong (Jonathan Loo

    2011-01-01

    Full Text Available Multi-channel assignments are becoming the solution of choice to improve performance in single radio for wireless networks. Multi-channel allows wireless networks to assign different channels to different nodes in real-time transmission. In this paper, we propose a new approach, Multi-channel Distributed Coordinated Function (MC-DCF which takes advantage of multi-channel assignment. The backoff algorithm of the IEEE 802.11 distributed coordination function (DCF was modified to invoke channel switching, based on threshold criteria in order to improve the overall throughput for wireless sensor networks (WSNs over 802.11 networks. We presented simulation experiments in order to investigate the characteristics of multi-channel communication in wireless sensor networks using an NS2 platform. Nodes only use a single radio and perform channel switching only after specified threshold is reached. Single radio can only work on one channel at any given time. All nodes initiate constant bit rate streams towards the receiving nodes. In this work, we studied the impact of non-overlapping channels in the 2.4 frequency band on: constant bit rate (CBR streams, node density, source nodes sending data directly to sink and signal strength by varying distances between the sensor nodes and operating frequencies of the radios with different data rates. We showed that multi-channel enhancement using our proposed algorithm provides significant improvement in terms of throughput, packet delivery ratio and delay. This technique can be considered for WSNs future use in 802.11 networks especially when the IEEE 802.11n becomes popular thereby may prevent the 802.15.4 network from operating effectively in the 2.4 GHz frequency band.

  8. Multi-channel distributed coordinated function over single radio in wireless sensor networks.

    Science.gov (United States)

    Campbell, Carlene E-A; Loo, Kok-Keong Jonathan; Gemikonakli, Orhan; Khan, Shafiullah; Singh, Dhananjay

    2011-01-01

    Multi-channel assignments are becoming the solution of choice to improve performance in single radio for wireless networks. Multi-channel allows wireless networks to assign different channels to different nodes in real-time transmission. In this paper, we propose a new approach, Multi-channel Distributed Coordinated Function (MC-DCF) which takes advantage of multi-channel assignment. The backoff algorithm of the IEEE 802.11 distributed coordination function (DCF) was modified to invoke channel switching, based on threshold criteria in order to improve the overall throughput for wireless sensor networks (WSNs) over 802.11 networks. We presented simulation experiments in order to investigate the characteristics of multi-channel communication in wireless sensor networks using an NS2 platform. Nodes only use a single radio and perform channel switching only after specified threshold is reached. Single radio can only work on one channel at any given time. All nodes initiate constant bit rate streams towards the receiving nodes. In this work, we studied the impact of non-overlapping channels in the 2.4 frequency band on: constant bit rate (CBR) streams, node density, source nodes sending data directly to sink and signal strength by varying distances between the sensor nodes and operating frequencies of the radios with different data rates. We showed that multi-channel enhancement using our proposed algorithm provides significant improvement in terms of throughput, packet delivery ratio and delay. This technique can be considered for WSNs future use in 802.11 networks especially when the IEEE 802.11n becomes popular thereby may prevent the 802.15.4 network from operating effectively in the 2.4 GHz frequency band.

  9. Nitrogen-Coordinated Single Cobalt Atom Catalysts for Oxygen Reduction in Proton Exchange Membrane Fuel Cells.

    Science.gov (United States)

    Wang, Xiao Xia; Cullen, David A; Pan, Yung-Tin; Hwang, Sooyeon; Wang, Maoyu; Feng, Zhenxing; Wang, Jingyun; Engelhard, Mark H; Zhang, Hanguang; He, Yanghua; Shao, Yuyan; Su, Dong; More, Karren L; Spendelow, Jacob S; Wu, Gang

    2018-03-01

    Due to the Fenton reaction, the presence of Fe and peroxide in electrodes generates free radicals causing serious degradation of the organic ionomer and the membrane. Pt-free and Fe-free cathode catalysts therefore are urgently needed for durable and inexpensive proton exchange membrane fuel cells (PEMFCs). Herein, a high-performance nitrogen-coordinated single Co atom catalyst is derived from Co-doped metal-organic frameworks (MOFs) through a one-step thermal activation. Aberration-corrected electron microscopy combined with X-ray absorption spectroscopy virtually verifies the CoN 4 coordination at an atomic level in the catalysts. Through investigating effects of Co doping contents and thermal activation temperature, an atomically Co site dispersed catalyst with optimal chemical and structural properties has achieved respectable activity and stability for the oxygen reduction reaction (ORR) in challenging acidic media (e.g., half-wave potential of 0.80 V vs reversible hydrogen electrode (RHE). The performance is comparable to Fe-based catalysts and 60 mV lower than Pt/C -60 μg Pt cm -2 ). Fuel cell tests confirm that catalyst activity and stability can translate to high-performance cathodes in PEMFCs. The remarkably enhanced ORR performance is attributed to the presence of well-dispersed CoN 4 active sites embedded in 3D porous MOF-derived carbon particles, omitting any inactive Co aggregates. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Coordinate control of integral reactor based on single neuron PID controller

    International Nuclear Information System (INIS)

    Liu Yan; Xia Hong

    2014-01-01

    As one of the main type of reactors in the future, the development of the integral reactor has attracted worldwide attention. On the basis of understanding the background of the integral reactor, the author will be familiar with and master the power control of reactor and the feedwater flow control of steam generator, and the speed control of turbine (turbine speed control is associated with the turbine load control). According to the expectative program 'reactor power following turbine load' of the reactor, it will make coordinate control of the three and come to a overall control scheme. The author will use the supervisory learning algorithm of Hebb for single neuron PID controller with self-adaptation to study the coordinate control of integral reactor. Compared with conventional PI or PID controller, to a certain extent, it solves the problems that traditional PID controller is not easy to tune real-time parameters and lack of effective control for a number of complex processes and slow-varying parameter systems. It improves the security, reliability, stability and flexibility of control process and achieves effective control of the system. (authors)

  11. A novel optimal coordinated control strategy for the updated robot system for single port surgery.

    Science.gov (United States)

    Bai, Weibang; Cao, Qixin; Leng, Chuntao; Cao, Yang; Fujie, Masakatsu G; Pan, Tiewen

    2017-09-01

    Research into robotic systems for single port surgery (SPS) has become widespread around the world in recent years. A new robot arm system for SPS was developed, but its positioning platform and other hardware components were not efficient. Special features of the developed surgical robot system make good teleoperation with safety and efficiency difficult. A robot arm is combined and used as new positioning platform, and the remote center motion is realized by a new method using active motion control. A new mapping strategy based on kinematics computation and a novel optimal coordinated control strategy based on real-time approaching to a defined anthropopathic criterion configuration that is referred to the customary ease state of human arms and especially the configuration of boxers' habitual preparation posture are developed. The hardware components, control architecture, control system, and mapping strategy of the robotic system has been updated. A novel optimal coordinated control strategy is proposed and tested. The new robot system can be more dexterous, intelligent, convenient and safer for preoperative positioning and intraoperative adjustment. The mapping strategy can achieve good following and representation for the slave manipulator arms. And the proposed novel control strategy can enable them to complete tasks with higher maneuverability, lower possibility of self-interference and singularity free while teleoperating. Copyright © 2017 John Wiley & Sons, Ltd.

  12. Coordination Scheme for Restructuring Business Operation of the Single Period Newsvendor Problem

    Directory of Open Access Journals (Sweden)

    Chiuh-Cheng Chyu

    2013-01-01

    Full Text Available This paper presents a coordination scheme for a single period newsvendor problem when both supplier and retailer of the supply chain agree to change the business operation from a market decision power sharing system (Model 1 to a unique decision maker system (Model 2. The supplier is assumed to be a risk-averse decision maker and he will undertake the product quality risk in both models. Model 1 is game theoretic, where the supplier controls the wholesale price, but the retailer controls the order quantity and market price. The bargaining process ends when the supplier has found a wholesale price that maximizes the value of his sales revenue minus the product quality cost. Model 2 is a centralized system where the supplier possesses all decision powers of the market. In general, Model 2 will generate higher total revenue than Model 1. The aim of this research is to propose a satisfying compromise based on consignment policy to resolve the revenue-sharing conflict in Model 2 due to the additional revenue. An example is provided to illustrate the two models and the proposed coordination scheme, along with managerial insights on the models’ benefits. The impacts of several parameters on the scheme are also presented and discussed.

  13. Fourier transforms of single-particle wave functions in cylindrical coordinates

    International Nuclear Information System (INIS)

    Rizea, M.; Carjan, N.

    2016-01-01

    A formalism and the corresponding numerical procedures that calculate the Fourier transform of a single-particle wave function defined on a grid of cylindrical (ρ, z) coordinates is presented. Single-particle states in spherical and deformed nuclei have been chosen in view of future applications in the field of nuclear reactions. Bidimensional plots of the probability that the nucleon's momentum has a given value K = √(k ρ 2 +k z 2 ) are produced and from them the K -distributions are deduced. Three potentials have been investigated: (a) a sharp surface spherical well (i.e., of constant depth), (b) a spherical Woods-Saxon potential (i.e., diffuse surface) and (c) a deformed potential of Woods-Saxon type. In the first case the momenta are as well defined as allowed by the uncertainty principle. Depending on the state, their distributions have up to three separated peaks as a consequence of the up to three circular ridges of the bidimensional probabilities plots. In the second case the diffuseness allows very low momenta to be always populated thus creating tails towards the origin (K = 0). The peaks are still present but not well separated. In the third case the deformation transforms the above mentioned circular ridges into ellipses thus spreading the K-values along them. As a consequence the K-distributions have only one broad peak. (orig.)

  14. Design optimization of single mixed refrigerant LNG process using a hybrid modified coordinate descent algorithm

    Science.gov (United States)

    Qyyum, Muhammad Abdul; Long, Nguyen Van Duc; Minh, Le Quang; Lee, Moonyong

    2018-01-01

    Design optimization of the single mixed refrigerant (SMR) natural gas liquefaction (LNG) process involves highly non-linear interactions between decision variables, constraints, and the objective function. These non-linear interactions lead to an irreversibility, which deteriorates the energy efficiency of the LNG process. In this study, a simple and highly efficient hybrid modified coordinate descent (HMCD) algorithm was proposed to cope with the optimization of the natural gas liquefaction process. The single mixed refrigerant process was modeled in Aspen Hysys® and then connected to a Microsoft Visual Studio environment. The proposed optimization algorithm provided an improved result compared to the other existing methodologies to find the optimal condition of the complex mixed refrigerant natural gas liquefaction process. By applying the proposed optimization algorithm, the SMR process can be designed with the 0.2555 kW specific compression power which is equivalent to 44.3% energy saving as compared to the base case. Furthermore, in terms of coefficient of performance (COP), it can be enhanced up to 34.7% as compared to the base case. The proposed optimization algorithm provides a deep understanding of the optimization of the liquefaction process in both technical and numerical perspectives. In addition, the HMCD algorithm can be employed to any mixed refrigerant based liquefaction process in the natural gas industry.

  15. Uniform Strain Elements for Three-Node Triangular and Four-Node Tetrahedral Meshes

    Energy Technology Data Exchange (ETDEWEB)

    Dohrmann, C.R.; Heinstein, M.W.; Jung, J.; Key, S.W.; Witkowski, W.R.

    1999-03-02

    A family of uniform strain elements is presented for three-node triangular and four-node tetrahedral meshes. The elements use the linear interpolation functions of the original mesh, but each element is associated with a single node. As a result, a favorable constraint ratio for the volumetric response is obtained for problems in solid mechanics. The uniform strain elements do not require the introduction of additional degrees of freedom and their performance is shown to be significantly better than that of three-node triangular or four-node tetrahedral elements. In addition, nodes inside the boundary of the mesh are observed to exhibit superconvergent behavior for a set of example problems.

  16. Determination of Initial Conditions for Tetrahedral Satellite Formation

    Directory of Open Access Journals (Sweden)

    Sung-Moon Yoo

    2011-12-01

    Full Text Available This paper presents an algorithm that can provide initial conditions for formation flying at the beginning of a region of interest to maximize scientific mission goals in the case of a tetrahedral satellite formation. The performance measure is to maximize the quality factor that affects scientific measurement performance. Several path constraints and periodicity conditions at the beginning of the region of interest are identified. The optimization problem is solved numerically using a direct transcription method. Our numerical results indicate that there exist an optimal configuration and states of a tetrahedral satellite formation. Furthermore, the initial states and algorithm presented here may be used for reconfiguration maneuvers and fuel balancing problems.

  17. Coordinated Engine-Start Control of Single-Motor P2 Hybrid Electric Vehicles with Respect to Different Driving Situations

    OpenAIRE

    Xiangyang Xu; Xiaoxiao Wu; Mick Jordan; Peng Dong; Yang Liu

    2018-01-01

    To cut down the costs caused by the additional starter, single-motor P2 hybrid electric vehicles (HEVs) make use of the driving motor to propel the vehicle as well as start the engine, and accordingly the engine-start control becomes more difficult. To satisfy the passengers’ demands, this paper developed different coordinated engine-start control strategies with respect to different situations. First, a detailed model for the single-motor P2 HEVs system was built and related parameters were ...

  18. Field-Induced Co(II) Single-Ion Magnets with mer-Directing Ligands but Ambiguous Coordination Geometry.

    Science.gov (United States)

    Peng, Yan; Mereacre, Valeriu; Anson, Christopher E; Zhang, Yiquan; Bodenstein, Tilmann; Fink, Karin; Powell, Annie K

    2017-06-05

    Three air-stable Co(II) mononuclear complexes with different aromatic substituents have been prepared and structurally characterized by single-crystal X-ray diffraction. The mononuclear complexes [Co(H 2 L1) 2 ]·2THF (1), [Co(HL2) 2 ] (2), and [Co(H 2 L3) 2 ]·CH 2 Cl 2 (3) (where H 3 L1, H 2 L2, and H 3 L3 represent 3-hydroxy-naphthalene-2-carboxylic acid (6-hydroxymethyl-pyridin-2-ylmethylene) hydrazide, nicotinic acid (6-hydroxymethyl-pyridin-2-ylmethylene) hydrazide, and 2-hydroxy-benzoic acid (6-hydroxymethyl-pyridin-2-ylmethylene) hydrazide, respectively) feature a distorted mer octahedral coordination geometry. Detailed magnetic studies of 1-3 have been conducted using direct and alternating current magnetic susceptibility data. Field-induced slow magnetic relaxation was observed for these three complexes. There are few examples of such behavior in (distorted) octahedral coordination geometry (OC) Co(II) mononuclear complexes with uniaxial anisotropy. Analysis of the six-coordinate Co(II) mononuclear single-ion magnets (SIMs) in the literature using the SHAPE program revealed that they all show what is best described as distorted trigonal prismatic (TRP) coordination geometry, and in general, these show negative D zero-field splitting (ZFS) values. On the other hand, all the Co(II) mononuclear complexes displaying what is best approximated as distorted octahedral (OC) coordination geometry show positive D values. In the new Co(II) mononuclear complexes we describe here, there is an ambiguity, since the rigid tridentate ligands confer what is best described for an octahedral complex as a mer coordination geometry, but the actual shape of the first coordination sphere is between octahedral and trigonal prismatic. The negative D values observed experimentally and supported by high-level electronic structure calculations are thus in line with a trigonal prismatic geometry. However, a consideration of the rhombicity as indicated by the E value of the ZFS in

  19. Whisking Kinematics Enables Object Localization in Head-Centered Coordinates Based on Tactile Information from a Single Vibrissa.

    Science.gov (United States)

    Yang, Anne E T; Hartmann, Mitra J Z

    2016-01-01

    During active tactile exploration with their whiskers (vibrissae), rodents can rapidly orient to an object even though there are very few proprioceptors in the whisker muscles. Thus a long-standing question in the study of the vibrissal system is how the rat can localize an object in head-centered coordinates without muscle-based proprioception. We used a three-dimensional model of whisker bending to simulate whisking motions against a peg to investigate the possibility that the 3D mechanics of contact from a single whisker are sufficient for localization in head-centered coordinates. Results show that for nearly all whiskers in the array, purely tactile signals at the whisker base - as would be measured by mechanoreceptors, in whisker-centered coordinates - could be used to determine the location of a vertical peg in head-centered coordinates. Both the "roll" and the "elevation" components of whisking kinematics contribute to the uniqueness and resolution of the localization. These results offer an explanation for a behavioral study showing that rats can more accurately determine the horizontal angle of an object if one column, rather than one row, of whiskers is spared.

  20. Whisking kinematics enables object localization in head-centered coordinates based on tactile information from a single vibrissa

    Directory of Open Access Journals (Sweden)

    Anne En-Tzu Yang

    2016-07-01

    Full Text Available During active tactile exploration with their whiskers (vibrissae, rodents can rapidly orient to an object even though there are very few proprioceptors in the whisker muscles. Thus a long-standing question in the study of the vibrissal system is how the rat can localize an object in head-centered coordinates without muscle-based proprioception. We used a three-dimensional model of whisker bending to simulate whisking motions against a peg to investigate the possibility that the 3D mechanics of contact from a single whisker are sufficient for localization in head-centered coordinates. Results show that, for nearly all whiskers in the array, purely tactile signals at the whisker base – as would be measured by mechanoreceptors, in whisker-centered coordinates – could be used to determine the location of a vertical peg in head-centered coordinates. Both the roll and the elevation components of whisking kinematics contribute to the uniqueness and resolution of the localization. These results offer an explanation for a behavioral study showing that rats can more accurately determine the horizontal angle of an object if one column, rather than one row, of whiskers is spared.

  1. 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.

  2. A novel perylene diimide-based tetrahedral molecule: Synthesis ...

    Indian Academy of Sciences (India)

    In this study, a novel tetrahedral molecule TPPY was successfully designed and synthesized. The self-assembly of TPPY with gold nanoparticles (Au NPs) in toluene has also been investigated. The aggregation morphologies of Au NPs can be controlled to produce different aggregate structures by changing the ...

  3. Superconvergence for tetrahedral quadratic finite element methods for elliptic equations

    NARCIS (Netherlands)

    Brandts, J.H.; Krizek, M.

    2005-01-01

    For a model elliptic boundary value problem we will prove that on strongly regular families of uniform tetrahedral partitions of the domain, the gradient of the quadratic finite element approximation is superclose to the gradient of the quadratic Lagrange interpolant of the exact solution. This

  4. Coordinated Engine-Start Control of Single-Motor P2 Hybrid Electric Vehicles with Respect to Different Driving Situations

    Directory of Open Access Journals (Sweden)

    Xiangyang Xu

    2018-01-01

    Full Text Available To cut down the costs caused by the additional starter, single-motor P2 hybrid electric vehicles (HEVs make use of the driving motor to propel the vehicle as well as start the engine, and accordingly the engine-start control becomes more difficult. To satisfy the passengers’ demands, this paper developed different coordinated engine-start control strategies with respect to different situations. First, a detailed model for the single-motor P2 HEVs system was built and related parameters were presented. Then, the coordinated engine-start control architecture for the internal combustion engine (ICE, engine disconnect clutch (EDC, electric motor (EM and 8-speed automatic transmission (AT was analyzed. Considering with the different driving situations, soft start strategy and dynamical start strategy are individually proposed. Through the simulation, the above control strategies were validated in accordance with their control objectives. Last, to optimize the trade-off between driving performance and riding comfort, some key parameters were further discussed. This work not only decreases the difficulty of engine-start control in the single-motor P2 HEVs but also is helpful to improve the quality of engine-start.

  5. Large Anisotropy Barrier in a Tetranuclear Single-Molecule Magnet Featuring Low-Coordinate Cobalt Centers.

    Science.gov (United States)

    Chakarawet, Khetpakorn; Bunting, Philip C; Long, Jeffrey R

    2018-02-14

    The tetranuclear cobalt cluster compound [Co 4 (μ-NP t Bu 3 ) 4 ][B(C 6 F 5 ) 4 ] ( t Bu = tert-butyl) was synthesized by chemical oxidation of Co 4 (NP t Bu 3 ) 4 with [FeCp 2 ][B(C 6 F 5 ) 4 ] and magnetically characterized to study the effect of electronic communication between low-coordinate metal centers on slow magnetic relaxation in a transition metal cluster. The dc magnetic susceptibility data reveal that the complex exhibits a well-isolated S = 9 / 2 ground state, which persists even to 300 K and is attributed to the existence of direct metal-metal orbital overlap. The ac magnetic susceptibility data further reveals that the complex exhibits slow magnetic relaxation in the absence of an applied field, and that the relaxation dynamics can be fit with a combination of Orbach, quantum tunneling, and Raman relaxation processes. The effective spin reversal barrier for this molecule is 87 cm -1 , the largest reported to date for a transition metal cluster, and arises due to the presence of a large easy-axis magnetic anisotropy. The complex additionally exhibits waist-restricted magnetic hysteresis and magnetic blocking below 3.6 K. Taken together, these results indicate that coupling of low-coordinate metal centers is a promising strategy to enhance magnetic anisotropy and slow magnetic relaxation in transition metal cluster compounds.

  6. 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.

  7. Tetrahedral meshing via maximal Poisson-disk sampling

    KAUST Repository

    Guo, Jianwei

    2016-02-15

    In this paper, we propose a simple yet effective method to generate 3D-conforming tetrahedral meshes from closed 2-manifold surfaces. Our approach is inspired by recent work on maximal Poisson-disk sampling (MPS), which can generate well-distributed point sets in arbitrary domains. We first perform MPS on the boundary of the input domain, we then sample the interior of the domain, and we finally extract the tetrahedral mesh from the samples by using 3D Delaunay or regular triangulation for uniform or adaptive sampling, respectively. We also propose an efficient optimization strategy to protect the domain boundaries and to remove slivers to improve the meshing quality. We present various experimental results to illustrate the efficiency and the robustness of our proposed approach. We demonstrate that the performance and quality (e.g., minimal dihedral angle) of our approach are superior to current state-of-the-art optimization-based approaches.

  8. Motion Planning of Kinematically Redundant 12-tetrahedral Rolling Robot

    Directory of Open Access Journals (Sweden)

    Xingbo Wang

    2016-02-01

    Full Text Available The 12-tetrahedral robot is an addressable reconfigurable technology (ART-based variable geometry truss mechanism with 26 extensible struts and nine nodes arranged in a tetrahedral mesh. The robot has the capability of configuring its shape to adapt to environmental requirements, which makes it suitable for space exploration. This paper considers the motion planning problem for the robot in terms of gait planning and trajectory planning. First, a gait planning method is developed that limits the forward falling angles to only 25 degrees. Then, according to the given gait, the jerk-bounded method and inverse kinematics are utilized to calculate the trajectories of the nodes and the struts, respectively. A robot system model was built in ADAMS and simulations were conducted to demonstrate the feasibility of the motion planning method.

  9. Validation of a tetrahedral spectral element code for solving the Navier Stokes equation

    International Nuclear Information System (INIS)

    Niewiadomski, C.; Paraschivoiu, M.

    2004-01-01

    The tetrahedral spectral element method is considered to solve the incompressible Navier-Stokes equations because it is capable to capture complex geometries and obtain highly accurate solutions. This method allows accuracy improvements both by decreasing the spatial discretization as well as increasing the expansion order. The method is presented here-in as a modification of an standard finite element code. Some recent improvement to the baseline spectral element method for the tetrahedron described in References 3 and 2 are presented. These improvements include: the continuity enforcement procedure avoiding the need to change the global assembly operation and the removal of the reference coordinate system from the elemental evaluations thus simplifying greatly the method. A study is performed on the Stokes and Navier-Stokes equations to validate the method and the resulting code. (author)

  10. Search for tetrahedral in 156Gd nucleus by γ spectroscopy

    International Nuclear Information System (INIS)

    Doan, Q.T.

    2009-11-01

    Theoretical calculations using realistic mean-field method suggest the existence of nuclear shapes with tetrahedral and/or octahedral symmetries in some rare earth nuclei around 156 Gd and 160 Yb. In nuclei with exact tetrahedral symmetry, the E2 intra-band transitions are predicted to vanish completely or to be very weak. This work is devoted to an experimental research of the tetrahedral symmetry in the nucleus 156 Gd. An experiment has been carried out with the JUROGAM γ-rays detector at Jyvaskyla (Finland) by using the fusion-evaporation reaction 154 Sm(α,2n) 156 Gd. In analysis, the branching ratios of two parity negative bands were determined, the angular distribution has been analyzed to determine the nature of one inter-band transition between these two bands. The transitions strength ratios determined are of the same order of magnitude as previous experiments, and some upper limits have been established for the lowest spin. The missing of the E2 transitions below the I π = 9 - states in the odd spin parity negative band were confirmed. The results of this work reinforced the hypothesis of the tetrahedral symmetry in the nucleus 156 Gd. γ-ray spectroscopy is the major tool used for this work. Detection principles and γ-ray simulations are detailed in the document. The simulation, based on realistic events, has been realised to compare the response function of two multi-detectors EUROBALL and AGATA. The results show that under certain conditions the first phase of AGATA (demonstrator) is also a tool to search for rare events. (author)

  11. Strain-minimizing tetrahedral networks of semiconductor alloys.

    Science.gov (United States)

    Liu, Jefferson Z; Trimarchi, Giancarlo; Zunger, Alex

    2007-10-05

    The atomic size mismatch between different binary semiconductors has been long known to limit their mutual solubility, leading instead to phase separation into incoherent phases, forming inhomogeneous mixtures that severely limit technological applications that rely on carrier transport. We show here that this atomic size mismatch can lead, under coherent conditions, to the formation of a homogeneous alloy with characteristic (201) two-monolayer ordering. This occurs because such specific layer arrangement corresponds to a unique strain-minimizing network in tetrahedral systems.

  12. Tetrahedral gray code for visualization of genome information.

    Directory of Open Access Journals (Sweden)

    Natsuhiro Ichinose

    Full Text Available We propose a tetrahedral Gray code that facilitates visualization of genome information on the surfaces of a tetrahedron, where the relative abundance of each [Formula: see text]-mer in the genomic sequence is represented by a color of the corresponding cell of a triangular lattice. For biological significance, the code is designed such that the [Formula: see text]-mers corresponding to any adjacent pair of cells differ from each other by only one nucleotide. We present a simple procedure to draw such a pattern on the development surfaces of a tetrahedron. The thus constructed tetrahedral Gray code can demonstrate evolutionary conservation and variation of the genome information of many organisms at a glance. We also apply the tetrahedral Gray code to the honey bee (Apis mellifera genome to analyze its methylation structure. The results indicate that the honey bee genome exhibits CpG overrepresentation in spite of its methylation ability and that two conserved motifs, CTCGAG and CGCGCG, in the unmethylated regions are responsible for the overrepresentation of CpG.

  13. Tetrahedral gray code for visualization of genome information.

    Science.gov (United States)

    Ichinose, Natsuhiro; Yada, Tetsushi; Gotoh, Osamu

    2014-01-01

    We propose a tetrahedral Gray code that facilitates visualization of genome information on the surfaces of a tetrahedron, where the relative abundance of each [Formula: see text]-mer in the genomic sequence is represented by a color of the corresponding cell of a triangular lattice. For biological significance, the code is designed such that the [Formula: see text]-mers corresponding to any adjacent pair of cells differ from each other by only one nucleotide. We present a simple procedure to draw such a pattern on the development surfaces of a tetrahedron. The thus constructed tetrahedral Gray code can demonstrate evolutionary conservation and variation of the genome information of many organisms at a glance. We also apply the tetrahedral Gray code to the honey bee (Apis mellifera) genome to analyze its methylation structure. The results indicate that the honey bee genome exhibits CpG overrepresentation in spite of its methylation ability and that two conserved motifs, CTCGAG and CGCGCG, in the unmethylated regions are responsible for the overrepresentation of CpG.

  14. Single Cobalt Atoms with Precise N-Coordination as Superior Oxygen Reduction Reaction Catalysts.

    Science.gov (United States)

    Yin, Peiqun; Yao, Tao; Wu, Yuen; Zheng, Lirong; Lin, Yue; Liu, Wei; Ju, Huanxin; Zhu, Junfa; Hong, Xun; Deng, Zhaoxiang; Zhou, Gang; Wei, Shiqiang; Li, Yadong

    2016-08-26

    A new strategy for achieving stable Co single atoms (SAs) on nitrogen-doped porous carbon with high metal loading over 4 wt % is reported. The strategy is based on a pyrolysis process of predesigned bimetallic Zn/Co metal-organic frameworks, during which Co can be reduced by carbonization of the organic linker and Zn is selectively evaporated away at high temperatures above 800 °C. The spherical aberration correction electron microscopy and extended X-ray absorption fine structure measurements both confirm the atomic dispersion of Co atoms stabilized by as-generated N-doped porous carbon. Surprisingly, the obtained Co-Nx single sites exhibit superior ORR performance with a half-wave potential (0.881 V) that is more positive than commercial Pt/C (0.811 V) and most reported non-precious metal catalysts. Durability tests revealed that the Co single atoms exhibit outstanding chemical stability during electrocatalysis and thermal stability that resists sintering at 900 °C. Our findings open up a new routine for general and practical synthesis of a variety of materials bearing single atoms, which could facilitate new discoveries at the atomic scale in condensed materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Modeling Single-Phase Inverter and Its Decentralized Coordinated Control by Using Feedback Linearization

    Directory of Open Access Journals (Sweden)

    Renke Han

    2014-01-01

    Full Text Available It is a very crucial problem to make a microgrid operated reasonably and stably. Considering the nonlinear mathematics model of inverter established in this paper, the input-output feedback linearization method is used to transform the nonlinear mathematics model of inverters to a linear tracking synchronization and consensus regulation control problem. Based on the linear mathematics model and multiagent consensus algorithm, a decentralized coordinated controller is proposed to make amplitudes and angles of voltages from inverters be consensus and active and reactive power shared in the desired ratio. The proposed control is totally distributed because each inverter only requires local and one neighbor’s information with sparse communication structure based on multiagent system. The hybrid consensus algorithm is used to keep the amplitude of the output voltages following the leader and the angles of output voltage as consensus. Then the microgrid can be operated more efficiently and the circulating current between DGs can be effectively suppressed. The effectiveness of the proposed method is proved through simulation results of a typical microgrid system.

  16. Temperature dependence of CIE-x,y color coordinates in YAG:Ce single crystal phosphor

    Czech Academy of Sciences Publication Activity Database

    Rejman, M.; Babin, Vladimir; Kučerková, Romana; Nikl, Martin

    2017-01-01

    Roč. 187, Jul (2017), s. 20-25 ISSN 0022-2313 R&D Projects: GA TA ČR TA04010135 Institutional support: RVO:68378271 Keywords : YAG:Ce * single-crystal * simulation * energy level lifetime * white LED * CIE * temperature dependence Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.686, year: 2016

  17. Microfilament-coordinated adhesion dynamics drives single cell migration and shapes whole tissues [version 1; referees: 4 approved

    Directory of Open Access Journals (Sweden)

    Rocio Aguilar-Cuenca

    2017-02-01

    Full Text Available Cell adhesion to the substratum and/or other cells is a crucial step of cell migration. While essential in the case of solitary migrating cells (for example, immune cells, it becomes particularly important in collective cell migration, in which cells maintain contact with their neighbors while moving directionally. Adhesive coordination is paramount in physiological contexts (for example, during organogenesis but also in pathology (for example, tumor metastasis. In this review, we address the need for a coordinated regulation of cell-cell and cell-matrix adhesions during collective cell migration. We emphasize the role of the actin cytoskeleton as an intracellular integrator of cadherin- and integrin-based adhesions and the emerging role of mechanics in the maintenance, reinforcement, and turnover of adhesive contacts. Recent advances in understanding the mechanical regulation of several components of cadherin and integrin adhesions allow us to revisit the adhesive clutch hypothesis that controls the degree of adhesive engagement during protrusion. Finally, we provide a brief overview of the major impact of these discoveries when using more physiological three-dimensional models of single and collective cell migration.

  18. Luminescence Characteristics of Ni2+ Ion-Doped Glasses and Glass-Ceramics in Relation to Its Coordination Number

    Science.gov (United States)

    Khonthon, Sasithorn; Morimoto, Shigeki; Ohishi, Yasutake

    Ni2+ ions occupy the tetrahedral (4), trigonal bipyramid (5) and octahedral (6) sites in glasses and glass-ceramics. The color changes depending on coordination number, typically pink for tetrahedral site, brown for trigonal bipyramid and tetrahedral sites and green to blue for octahedral site, respectively. The broad near infrared (NIR) emission peaking at around 1220 nm was observed for octahedral Ni2+ ions. This emission is due to 3T2(F)→3A2(F) transition.

  19. Crossover between tetrahedral and hexagonal structures in liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Chara, Osvaldo [Instituto de Fisica de Liquidos y Sistemas Biologicos (IFLYSIB), CONICET - Universidad Nacional de La Plata (Argentina); McCarthy, Andres N., E-mail: amccarthy@iflysib.unlp.edu.a [Instituto de Fisica de Liquidos y Sistemas Biologicos (IFLYSIB), CONICET - Universidad Nacional de La Plata (Argentina); Grigera, J. Raul [Instituto de Fisica de Liquidos y Sistemas Biologicos (IFLYSIB), CONICET - Universidad Nacional de La Plata (Argentina)

    2011-01-17

    It is widely accepted that liquid water structure is comprised of two closely interweaved components; i.e. tetrahedral (low density) and hexagonal (high density) structures. The relative amount of these components is temperature and pressure dependent. We propose an order parameter, based on the radial distribution function, that quantifies the relative structural composition at any defined temperature and pressure, thus establishing the crossover point in structural dominance. At 300 K this point lies close to 2 kbar, pressure at which water looses most of its 'anomalous' properties.

  20. Tetrahedral hydrocarbon nanoparticles in space: X-ray spectra

    Science.gov (United States)

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

    2018-03-01

    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.

  1. 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.

  2. 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

  3. Kriging-Based Parameter Estimation Algorithm for Metabolic Networks Combined with Single-Dimensional Optimization and Dynamic Coordinate Perturbation.

    Science.gov (United States)

    Wang, Hong; Wang, Xicheng; Li, Zheng; Li, Keqiu

    2016-01-01

    The metabolic network model allows for an in-depth insight into the molecular mechanism of a particular organism. Because most parameters of the metabolic network cannot be directly measured, they must be estimated by using optimization algorithms. However, three characteristics of the metabolic network model, i.e., high nonlinearity, large amount parameters, and huge variation scopes of parameters, restrict the application of many traditional optimization algorithms. As a result, there is a growing demand to develop efficient optimization approaches to address this complex problem. In this paper, a Kriging-based algorithm aiming at parameter estimation is presented for constructing the metabolic networks. In the algorithm, a new infill sampling criterion, named expected improvement and mutual information (EI&MI), is adopted to improve the modeling accuracy by selecting multiple new sample points at each cycle, and the domain decomposition strategy based on the principal component analysis is introduced to save computing time. Meanwhile, the convergence speed is accelerated by combining a single-dimensional optimization method with the dynamic coordinate perturbation strategy when determining the new sample points. Finally, the algorithm is applied to the arachidonic acid metabolic network to estimate its parameters. The obtained results demonstrate the effectiveness of the proposed algorithm in getting precise parameter values under a limited number of iterations.

  4. Semiconducting single-walled carbon nanotubes sorting with a removable solubilizer based on dynamic supramolecular coordination chemistry.

    Science.gov (United States)

    Toshimitsu, Fumiyuki; Nakashima, Naotoshi

    2014-10-03

    Highly pure semiconducting single-walled carbon nanotubes (SWNTs) are essential for the next generation of electronic devices, such as field-effect transistors and photovoltaic applications; however, contamination by metallic SWNTs reduces the efficiency of their associated devices. Here we report a simple and efficient method for the separation of semiconducting- and metallic SWNTs based on supramolecular complex chemistry. We here describe the synthesis of metal-coordination polymers (CP-Ms) composed of a fluorene-bridged bis-phenanthroline ligand and metal ions. On the basis of a difference in the 'solubility product' of CP-M-solubilized semiconducting SWNTs and metallic SWNTs, we readily separated semiconducting SWNTs. Furthermore, the CP-M polymers on the SWNTs were simply removed by adding a protic acid and inducing depolymerization to the monomer components. We also describe molecular mechanics calculations to reveal the difference of binding and wrapping mode between CP-M/semiconducting SWNTs and CP-M/metallic SWNTs. This study opens a new stage for the use of such highly pure semiconducting SWNTs in many possible applications.

  5. 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.

  6. Mechanical dissipation at elevated temperatures in tetrahedral amorphous carbon.

    Energy Technology Data Exchange (ETDEWEB)

    Sullivan, John P.; Friedmann, Thomas Aquinas; Czaplewski, David A.; Wendt, Joel Robert

    2005-05-01

    We have measured the temperature dependence of mechanical dissipation in tetrahedral amorphous carbon flexural and torsional resonators over the temperature range from 300 to 1023 K. The mechanical dissipation was found to be controlled by defects within the material, and the magnitude and temperature dependence of the dissipation were found to depend on whether flexural or torsional vibrational modes were excited. The defects that were active under flexural stresses have a relatively flat concentration from 0.4 to 0.7 eV with an ever increasing defect concentration up to 1.9 eV. Under shear stresses (torsion), the defect activation energies increase immediately beginning at 0.4 eV, with increasing defect concentration at higher energies.

  7. The efficacy of Le Bon Départ and Sensory Integration treatment for children with developmental coordination disorder: a randomized study with six single cases.

    NARCIS (Netherlands)

    Leemrijse, C.; Meijer, O.G.; Vermeer, A.; Ader, H.J.; Diemel, S.

    2000-01-01

    Objective: evaluation of the efficacy of Le Bon Départ (LBD) treatment and Sensory Integration (SI) treatment on motor performance on children with developmental coordination disorder. Design: a single subject design with multiple baseline and alternating treatments. Order of treatment and lenght of

  8. Hydrogen solution in tetrahedral or octahedral interstitial sites in Al

    International Nuclear Information System (INIS)

    Zeng, C.A.; Hu, J.P.; Ouyang, C.Y.

    2011-01-01

    Highlights: → The physical nature of the site preference for H solution in BCC Al is revealed. → The site preference is result of competition between Al-H bonding interaction and local lattice distortion. → The Al-H bonding interaction lowers the solution energy while the local lattice distortion increases the solution energy. - Abstract: It is reported that H atoms prefer to stay at interstitial (defect) sites with larger space in most metals. However, H atom prefers to occupy tetrahedral interstitial sites (T-site) that provide smaller space than octahedral sites (O-site) in Al. This paper studied the H-Al interactions from first principles calculations. Through analysis of the H-induced electronic states and the local atomic relaxations, we show that H-Al bonding interaction is stronger for T-site H, which is in favor of the solution energy. On the other hand, larger local atomic distortion is observed around the T-site H, which increases the total energy.

  9. A suitable low-order, eight-node tetrahedral finite element for solids

    Energy Technology Data Exchange (ETDEWEB)

    Key, S.W.; Heinstein, M.S.; Stone, C.M.; Mello, F.J.; Blanford, M.L.; Budge, K.G.

    1998-03-01

    To use the all-tetrahedral mesh generation existing today, the authors have explored the creation of a computationally efficient eight-node tetrahedral finite element (a four-node tetrahedral finite element enriched with four mid-face nodal points). The derivation of the element`s gradient operator, studies in obtaining a suitable mass lumping, and the element`s performance in applications are presented. In particular they examine the eight-node tetrahedral finite element`s behavior in longitudinal plane wave propagation, in transverse cylindrical wave propagation, and in simulating Taylor bar impacts. The element samples only constant strain states and, therefore, has 12 hour-glass modes. In this regard it bears similarities to the eight-node, mean-quadrature hexahedral finite element. Comparisons with the results obtained from the mean-quadrature eight-node hexahedral finite element and the four-node tetrahedral finite element are included. Given automatic all-tetrahedral meshing, the eight-node, constant-strain tetrahedral finite element is a suitable replacement for the eight-node hexahedral finite element in those cases where mesh generation requires an inordinate amount of user intervention and direction to obtain acceptable mesh properties.

  10. A suitable low-order, eight-node tetrahedral finite element for solids

    International Nuclear Information System (INIS)

    Key, S.W.; Heinstein, M.S.; Stone, C.M.; Mello, F.J.; Blanford, M.L.; Budge, K.G.

    1998-03-01

    To use the all-tetrahedral mesh generation existing today, the authors have explored the creation of a computationally efficient eight-node tetrahedral finite element (a four-node tetrahedral finite element enriched with four mid-face nodal points). The derivation of the element's gradient operator, studies in obtaining a suitable mass lumping, and the element's performance in applications are presented. In particular they examine the eight-node tetrahedral finite element's behavior in longitudinal plane wave propagation, in transverse cylindrical wave propagation, and in simulating Taylor bar impacts. The element samples only constant strain states and, therefore, has 12 hour-glass modes. In this regard it bears similarities to the eight-node, mean-quadrature hexahedral finite element. Comparisons with the results obtained from the mean-quadrature eight-node hexahedral finite element and the four-node tetrahedral finite element are included. Given automatic all-tetrahedral meshing, the eight-node, constant-strain tetrahedral finite element is a suitable replacement for the eight-node hexahedral finite element in those cases where mesh generation requires an inordinate amount of user intervention and direction to obtain acceptable mesh properties

  11. A Novel Spherical Hohlraum Design with Tetrahedral 4 Laser Entrance Holes and High Radiation Performance

    Science.gov (United States)

    Huang, Yunbao; Jing, Longfei; Jiang, Shaoen

    2016-10-01

    As usual cylindrical hohlraum with double laser ring cones may lead to serious CBET, and LPI effect, spherical hohlraum with octahedral 6 LEHs and single laser ring cone is investigated and presented to achieve higher radiation symmetry during the fusion process. However, it has several potential problems such as the long run distance and the close distance between the spot and their closet LEH for the laser beams, smaller space is left for diagnose, and the assembly of centrally located capsule. In this paper, based on view-factor transportation model, we investigate the radiation symmetry and the drive temperature on the centrally located capsule in the spherical hohlraum with tetrahedral 4 LEHs and single laser ring cone, since there is more available space for laser disposition and diagnose. Then, such target is optimized on the laser beam pointing direction and shape sizes to achieve high radiation performance, or the radiation symmetry and drive temperature on the capsule. Finally, a novel spherical hohlraum with optimal laser beam pointing and shape size has been demonstrated to have almost similar radiation symmetry (the radiation asymmetry variation is no more than 0.2%), and higher drive temperature (the temperature has been increased by 1.73%, and additional 133 KJ energy of 2MJ energy for fusion can be utilized).

  12. 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.

  13. Comparison of hexahedral and tetrahedral elements in finite element analysis of the foot and footwear.

    Science.gov (United States)

    Tadepalli, Srinivas C; Erdemir, Ahmet; Cavanagh, Peter R

    2011-08-11

    Finite element analysis has been widely used in the field of foot and footwear biomechanics to determine plantar pressures as well as stresses and strains within soft tissue and footwear materials. When dealing with anatomical structures such as the foot, hexahedral mesh generation accounts for most of the model development time due to geometric complexities imposed by branching and embedded structures. Tetrahedral meshing, which can be more easily automated, has been the approach of choice to date in foot and footwear biomechanics. Here we use the nonlinear finite element program Abaqus (Simulia, Providence, RI) to examine the advantages and disadvantages of tetrahedral and hexahedral elements under compression and shear loading, material incompressibility, and frictional contact conditions, which are commonly seen in foot and footwear biomechanics. This study demonstrated that for a range of simulation conditions, hybrid hexahedral elements (Abaqus C3D8H) consistently performed well while hybrid linear tetrahedral elements (Abaqus C3D4H) performed poorly. On the other hand, enhanced quadratic tetrahedral elements with improved stress visualization (Abaqus C3D10I) performed as well as the hybrid hexahedral elements in terms of contact pressure and contact shear stress predictions. Although the enhanced quadratic tetrahedral element simulations were computationally expensive compared to hexahedral element simulations in both barefoot and footwear conditions, the enhanced quadratic tetrahedral element formulation seems to be very promising for foot and footwear applications as a result of decreased labor and expedited model development, all related to facilitated mesh generation. Copyright © 2011. Published by Elsevier Ltd.

  14. 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.

  15. Computational evaluation of sub-nanometer cluster activity of singly exposed copper atom with various coordinative environment in catalytic CO{sub 2} transformation

    Energy Technology Data Exchange (ETDEWEB)

    Shanmugam, Ramasamy [Department of Chemistry, Thiagarajar College, Madurai, Tamilnadu 625 009 (India); National Center for Catalysis Research, Indian Institute of Technology Madras, Chennai, Tamilnadu 600 036 (India); Thamaraichelvan, Arunachalam [Faculty of Allied Health Sciences, Chettinad Hospital & Research Institute, Kelambakkam, Tamilnadu 603 103 (India); Ganesan, Tharumeya Kuppusamy [Department of Chemistry, The American College, Madurai, Tamilnadu 625 002 (India); Viswanathan, Balasubramanian, E-mail: bvnathan@iitm.ac.in [National Center for Catalysis Research, Indian Institute of Technology Madras, Chennai, Tamilnadu 600 036 (India)

    2017-02-28

    Highlights: • On interaction with adsorbate CO{sub 2,} the adsorbent changes its configuration around the metal. • Electron transfer is faster in low coordinative environment of Cu. • CO formation is more favorable on Cu sites with even coordination number. • Cu at coordination number two has a over potential of −0.35 V. - Abstract: Metal cluster, at sub-nanometer level has a unique property in the activation of small molecules, in contrast to that of bulk surface. In the present work, singly exposed active site of copper metal cluster at sub-nanometer level was designed to arrive at the energy minimised configurations, binding energy, electrostatic potential map, frontier molecular orbitals and partial density of states. The ab initio molecular dynamics was carried out to probe the catalytic nature of the cluster. Further, the stability of the metal cluster and its catalytic activity in the electrochemical reduction of CO{sub 2} to CO were evaluated by means of computational hydrogen electrode via calculation of the free energy profile using DFT/B3LYP level of theory in vacuum. The activity of the cluster is ascertained from the fact that the copper atom, present in a two coordinative environment, performs a more selective conversion of CO{sub 2} to CO at an applied potential of −0.35 V which is comparatively lower than that of higher coordinative sites. The present study helps to design any sub-nano level metal catalyst for electrochemical reduction of CO{sub 2} to various value added chemicals.

  16. In-house coordination for organ donation--single-center experience in a pilot project in Germany (2006 to 2013).

    Science.gov (United States)

    Kaiser, G M; Wirges, U; Becker, S; Baier, C; Radunz, S; Kraus, H; Paul, A

    2014-01-01

    A challenge for solid organ transplantation in Germany is the shortage of organs. In an effort to increase donation rates, some federal states mandated hospitals to install transplantation officers to coordinate, evaluate, and enhance the donation and transplantation processes. In 2009 the German Foundation for Organ Transplantation (DSO) implemented the In-House Coordination Project, which includes retrospective, quarterly, information technology-based case analyses of all deceased patients with primary or secondary brain injury in regard to the organ donation process in maximum care hospitals. From 2006 to 2008 an analysis of potential organ donors was performed in our hospital using a time-consuming, complex method using questionnaires, hand-written patient files, and the hospital IT documentation system (standard method). Analyses in the In-House Coordination Project are instead carried out by a proprietary semiautomated IT tool called Transplant Check, which uses easily accessible standard data records of the hospital controlling and accounting unit. The aim of our study was to compare the results of the standard method and Transplant Check in detecting and evaluating potential donors. To do so, the same period of time (2006 to 2008) was re-evaluated using the IT tool. Transplant Check was able to record significantly more patients who fulfilled the criteria for inclusion than the standard method (641 vs 424). The methods displayed a wide overlap, apart from 22 patients who were only recorded by the standard method. In these cases, the accompanying brain injury diagnosis was not recorded in the controlling and accounting unit data records due to little relative clinical significance. None of the 22 patients fulfilled the criteria for brain death. In summary, Transplant Check is an easy-to-use, reliable, and valid tool for evaluating donor potential in a maximum care hospital. Therefore from 2010 on, analyses were performed exclusively with Transplant Check at

  17. Co(II) Coordination in Prokaryotic Zinc Finger Domains as Revealed by UV-Vis Spectroscopy.

    Science.gov (United States)

    Sivo, Valeria; D'Abrosca, Gianluca; Russo, Luigi; Iacovino, Rosa; Pedone, Paolo Vincenzo; Fattorusso, Roberto; Isernia, Carla; Malgieri, Gaetano

    2017-01-01

    Co(II) electronic configuration allows its use as a spectroscopic probe in UV-Vis experiments to characterize the metal coordination sphere that is an essential component of the functional structure of zinc-binding proteins and to evaluate the metal ion affinities of these proteins. Here, exploiting the capability of the prokaryotic zinc finger to use different combinations of residues to properly coordinate the structural metal ion, we provide the UV-Vis characterization of Co(II) addition to Ros87 and its mutant Ros87_C27D which bears an unusual CysAspHis 2 coordination sphere. Zinc finger sites containing only one cysteine have been infrequently characterized. We show for the CysAspHis 2 coordination an intense d - d transition band, blue-shifted with respect to the Cys 2 His 2 sphere. These data complemented by NMR and CD data demonstrate that the tetrahedral geometry of the metal site is retained also in the case of a single-cysteine coordination sphere.

  18. [XPS and Raman spectral analysis of nitrogenated tetrahedral amorphous carbon (ta-C : N) films with different nitrogen content].

    Science.gov (United States)

    Chen, Wang-Shou; Zhu, Jia-Qi; Han, Jie-Cai; Tian, Gui; Tan, Man-Lin

    2009-01-01

    Nitrogenated tetrahedral amorphous carbon (ta-C : N) films were prepared on the polished C--Si substrates by introducing highly pure nitrogen gas into the cathode region and the depositing chamber synchronously using filtered cathodic vacuum arc (FCVA) technology. The nitrogen content in the films was controlled by changing the flow rate of nitrogen gas. The configuration of ta-C : N films was investigated by means of X-ray photoelectron spectroscopy (XPS) and visible Raman spectroscopy. It was shown that the nitrogen content in the films increased from 0.84 at% to 5.37 at% monotonously when the nitrogen flow rate was varied from 2 seem to 20 sccm. The peak position of C (1s) core level moved towards higher binding energy with the increase in nitrogen content. The shift of C (1s) peak position could be ascribed to the chemical bonding between carbon and nitrogen atoms even though more three-fold coordinated sp2 configuration as in graphite was formed when the films were doped with more nitrogen atoms. Additionally, the half width of C(1s) peak gradually was also broadened with increasing nitrogen content. In order to discover clearly the changing regularities of the microstructure of the films, the XPS C(1s) spectra and Raman spectra were deconvoluted using a Gaussian-Lorentzian mixed lineshape. It was shown that the tetrahedral hybridization component was still dominant even though the ratio of sp2/sp3 obtained from C(1s) spectra rose with the increase in nitrogen content. The Raman measurements demonstrated that the G peak position shifted towards higher frequency from 1,561 to 1,578 cm(-1) and the ratio of ID/IG also rose with the increase in nitrogen content. Both results indicated that the graphitizing tendency could occur with the increase in nitrogen content in the films.

  19. Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.

    Science.gov (United States)

    Seco, Jose M; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio

    2016-11-07

    Detailed structural, magnetic, and photoluminescence characterization of a family of new compounds based on 5-cyanoisophthalate (CNip) ligand and several transition metal or lanthanide ions, namely, [Cu 3 (μ 3 -CNip) 2 (μ-H 2 O) 2 (μ 3 -OH) 2 ] n (1), {[Co 3 (μ 4 -CNip) 3 (DMF) 4 ]·∼2DMF} n (2), [Cd(μ 4 -CNip) (DMF)] n (3), {[Ln 2 (μ 4 -CNip)(μ 3 -CNip) 2 (DMF) 4 ]·∼DMF·H 2 O} n (4-Ln) (with Ln III = Tb, Dy, and Er), {[Gd 6 (μ 3 -CNip) 5 (μ 4 -CNip) 3 (μ-form) 2 (H 2 O) (DMF) 10 ]·∼3DMF·3H 2 O} n (5), {[Zn 32 (μ 4 -CNip) 12 (μ-CNip) 12 (μ 4 -O) 8 (H 2 O) 24 ]·∼12DMF} n (6) (where DMF = dimethylformamide, form = formate), is reported. The large structural diversity found in the system may be explained mainly in terms of the coordination characteristics that are inherent to the employed metal ions, the coordination versatility of the dicarboxylic ligand and the synthetic conditions. Interestingly, some crystal structures (three-dimensional (3D) frameworks of 4-Ln and 5 and 3D network of 6) exhibit open architectures containing large solvent-occupied void systems, among which 5 reveals permanent porosity as confirmed by N 2 adsorption measurements at 77 K. Magnetic direct current (dc) susceptibility data on compounds 1, 2, and 5 were measured. Moreover, compounds 2, 4-Dy, 4-Er, and 5 show slow magnetic relaxation, from which it is worth highlighting the effective energy barrier of 44 K at zero dc field for the dysprosium counterpart. Compound 5 also deserves to be mentioned given the few 3D Gd-organic frameworks reported examples. Photophysical properties were also accomplished at different temperatures, confirming both the fluorescent emission of 5-cyanoisophthalate ligands when coordinated to cadmium ions in 3 and their capacity to sensitize the long-lived fluorescence of the selected lanthanide ions in 4-Ln. Broken symmetry and time-dependent density functional theory computational calculations support the experimental luminescence and

  20. Magnetic properties of weakly exchange-coupled high spin Co(II) ions in pseudooctahedral coordination evaluated by single crystal X-band EPR spectroscopy and magnetic measurements.

    Science.gov (United States)

    Neuman, Nicolás I; Winkler, Elín; Peña, Octavio; Passeggi, Mario C G; Rizzi, Alberto C; Brondino, Carlos D

    2014-03-03

    We report single-crystal X-band EPR and magnetic measurements of the coordination polymer catena-(trans-(μ2-fumarato)tetraaquacobalt(II)), 1, and the Co(II)-doped Zn(II) analogue, 2, in different Zn:Co ratios. 1 presents two magnetically inequivalent high spin S = 3/2 Co(II) ions per unit cell, named A and B, in a distorted octahedral environment coordinated to four water oxygen atoms and trans coordinated to two carboxylic oxygen atoms from the fumarate anions, in which the Co(II) ions are linked by hydrogen bonds and fumarate molecules. Magnetic susceptibility and magnetization measurements of 1 indicate weak antiferromagnetic exchange interactions between the S = 3/2 spins of the Co(II) ions in the crystal lattice. Oriented single crystal EPR experiments of 1 and 2 were used to evaluate the molecular g-tensor and the different exchange coupling constants between the Co(II) ions, assuming an effective spin S′= 1/2. Unexpectedly, the eigenvectors of the molecular g-tensor were not lying along any preferential bond direction, indicating that, in high spin Co(II) ions in roughly octahedral geometry with approximately axial EPR signals, the presence of molecular pseudo axes in the metal site does not determine preferential directions for the molecular g-tensor. The EPR experiment and magnetic measurements, together with a theoretical analysis relating the coupling constants obtained from both techniques, allowed us to evaluate selectively the exchange coupling constant associated with hydrogen bonds that connect magnetically inequivalent Co(II) ions (|JAB(1/2)| = 0.055(2) cm(–1)) and the exchange coupling constant associated with a fumarate bridge connecting equivalent Co(II) ions (|JAA(1/2)| ≈ 0.25 (1) cm(–1)), in good agreement with the average J(3/2) value determined from magnetic measurements.

  1. 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

  2. Reordering between tetrahedral and octahedral sites in ultrathin magnetite films grown on MgO(001)

    Energy Technology Data Exchange (ETDEWEB)

    Bertram, F.; Deiter, C. [Hamburger Synchrotronstrahlungslabor am Deutschen Elektronen-Synchrotron, Notkestr. 85, 22607 Hamburg (Germany); Schemme, T.; Jentsch, S.; Wollschlaeger, J. [Fachbereich Physik, Universitaet Osnabrueck, Barbarastr. 7, 49069 Osnabrueck (Germany)

    2013-05-14

    Magnetite ultrathin films were grown using different deposition rates and substrate temperatures. The structure of these films was studied using (grazing incidence) x-ray diffraction, while their surface structure was characterized by low energy electron diffraction. In addition to that, we performed x-ray photoelectron spectroscopy and magneto optic Kerr effect measurements to probe the stoichiometry of the films as well as their magnetic properties. The diffraction peaks of the inverse spinel structure, which originate exclusively from Fe ions on tetrahedral sites are strongly affected by the preparation conditions, while the octahedral sites remain almost unchanged. With both decreasing deposition rate as well as decreasing substrate temperature, the integrated intensity of the diffraction peaks originating exclusively from Fe on tetrahedral sites is decreasing. We propose that the ions usually occupying tetrahedral sites in magnetite are relocated to octahedral vacancies. Ferrimagnetic behaviour is only observed for well ordered magnetite films.

  3. Mechanical unfolding of proteins: reduction to a single-reaction coordinate unfolding potential, and an application of the Jarzynski Relation

    Science.gov (United States)

    Olmsted, Peter; West, Daniel; Paci, Emanuele

    2007-03-01

    Single molecule force spectroscopy (AFM, optical tweezers, etc) has revolutionized the study of many biopolymers, including DNA, RNA, and proteins. In this talk I will discuss recent work on modelling of mechanical unfolding of proteins, as often probed by AFM. I will address two issues in obtaining a coarse-grained description of protein unfolding: how to project the entire energy landscape onto an effective one dimensional unfolding potential, and how to apply the Jarzynski Relation to extract equilibrium free energies from nonequilibrium unfolding experiments.

  4. Characterization of a detector chain using a FPGA-based time-to-digital converter to reconstruct the three-dimensional coordinates of single particles at high flux

    Energy Technology Data Exchange (ETDEWEB)

    Nogrette, F.; Chang, R.; Bouton, Q.; Westbrook, C. I.; Clément, D. [Laboratoire Charles Fabry, Institut d’Optique Graduate School, CNRS, Univ. Paris-Saclay, 91127 Palaiseau cedex (France); Heurteau, D.; Sellem, R. [Fédération de Recherche LUMAT (DTPI), CNRS, Univ. Paris-Sud, Institut d’Optique Graduate School, Univ. Paris-Saclay, F-91405 Orsay (France)

    2015-11-15

    We report on the development of a novel FPGA-based time-to-digital converter and its implementation in a detection chain that records the coordinates of single particles along three dimensions. The detector is composed of micro-channel plates mounted on top of a cross delay line and connected to fast electronics. We demonstrate continuous recording of the timing signals from the cross delay line at rates up to 4.1 × 10{sup 6} s{sup −1} and three-dimensional reconstruction of the coordinates up to 3.2 × 10{sup 6} particles per second. From the imaging of a calibrated structure we measure the in-plane resolution of the detector to be 140(20) μm at a flux of 3 × 10{sup 5} particles per second. In addition, we analyze a method to estimate the resolution without placing any structure under vacuum, a significant practical improvement. While we use UV photons here, the results of this work apply to the detection of other kinds of particles.

  5. Development of coordination system model on single-supplier multi-buyer for multi-item supply chain with probabilistic demand

    Science.gov (United States)

    Olivia, G.; Santoso, A.; Prayogo, D. N.

    2017-11-01

    Nowadays, the level of competition between supply chains is getting tighter and a good coordination system between supply chains members is very crucial in solving the issue. This paper focused on a model development of coordination system between single supplier and buyers in a supply chain as a solution. Proposed optimization model was designed to determine the optimal number of deliveries from a supplier to buyers in order to minimize the total cost over a planning horizon. Components of the total supply chain cost consist of transportation costs, handling costs of supplier and buyers and also stock out costs. In the proposed optimization model, the supplier can supply various types of items to retailers whose item demand patterns are probabilistic. Sensitivity analysis of the proposed model was conducted to test the effect of changes in transport costs, handling costs and production capacities of the supplier. The results of the sensitivity analysis showed a significant influence on the changes in the transportation cost, handling costs and production capacity to the decisions of the optimal numbers of product delivery for each item to the buyers.

  6. 2D l-Di-toluoyl-tartaric acid Lanthanide Coordination Polymers: Toward Single-component White-Light and NIR Luminescent Materials.

    Science.gov (United States)

    Niu, Wan-Ying; Sun, Jing-Wen; Yan, Peng-Fei; Li, Yu-Xin; An, Guang-Hui; Li, Guang-Ming

    2016-02-18

    A series of five l-di-p-toluoyl-tartaric acid (l-DTTA) lanthanide coordination polymers, namely {[Ln4 K(4)  L6 (H2O)x ]⋅yH2 O}n , [Ln=Dy (1), x=24, y=12; Ln=Ho (2), x=23, y=12; Ln=Er (3), x=24, y=12; Ln=Yb (4), x=24, y=11; Ln=Lu (5), x=24, y=12] have been isolated by simple reactions of H2L (H2 L= L-DTTA) with LnCl3 ⋅6 H2O at ambient temperature. X-ray crystallographic analysis reveals that complexes 1-5 feature two-dimensional (2D) network structures in which the Ln(3+) ions are bridged by carboxylate groups of ligands in two unique coordinated modes. Luminescent spectra demonstrate that complex 1 realizes single-component white-light emission, while complexes 2-4 exhibit a characteristic near-infrared (NIR) luminescence in the solid state at room temperature. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Singly protonated dehydronorcantharidin silver coordination polymer induces apoptosis of lung cancer cells via reactive oxygen species-mediated mitochondrial pathway.

    Science.gov (United States)

    Li, Senpeng; Zhang, Shuo; Jin, Xing; Tan, Xuejie; Lou, Jianfang; Zhang, Xiumei; Zhao, Yunxue

    2014-10-30

    Silver complexes have been shown to possess antimicrobial and anticancer properties. Ag-SP-DNC, a novel silver and singly protonated dehydronorcantharidin complex, was synthesized in our previous study. In this study, we offer evidence that Ag-SP-DNC elicits a reactive oxygen species (ROS)-mediated mitochondrial apoptosis in lung cancer cells. Ag-SP-DNC inhibited the growth of A549 cells by inducing G2/M phase cell cycle arrest and apoptosis. Ag-SP-DNC induced apoptosis was associated with the levels of intracellular ROS. The further study revealed that Ag-SP-DNC disrupted the mitochondrial membrane potential, induced the caspase-3 activation and led to the translocation of apoptosis inducing factor and endonucleaseG to the nucleus. These findings have important implications for the development of silver complexes for anticancer applications. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  8. A review of defects and disorder in multinary tetrahedrally bonded semiconductors

    Science.gov (United States)

    Baranowski, Lauryn L.; Zawadzki, Pawel; Lany, Stephan; Toberer, Eric S.; Zakutayev, Andriy

    2016-12-01

    Defects are critical to understanding the electronic properties of semiconducting compounds, for applications such as light-emitting diodes, transistors, photovoltaics, and thermoelectrics. In this review, we describe our work investigating defects in tetrahedrally bonded, multinary semiconductors, and discuss the place of our research within the context of publications by other groups. We applied experimental and theory techniques to understand point defects, structural disorder, and extended antisite defects in one semiconductor of interest for photovoltaic applications, Cu2SnS3. We contrast our findings on Cu2SnS3 with other chemically related Cu-Sn-S compounds, as well as structurally related compounds such as Cu2ZnSnS4 and Cu(In,Ga)Se2. We find that evaluation of point defects alone is not sufficient to understand defect behavior in multinary tetrahedrally bonded semiconductors. In the case of Cu2SnS3 and Cu2ZnSnS4, structural disorder and entropy-driven cation clustering can result in nanoscale compositional inhomogeneities which detrimentally impact the electronic transport. Therefore, it is not sufficient to assess only the point defect behavior of new multinary tetrahedrally bonded compounds; effects such as structural disorder and extended antisite defects must also be considered. Overall, this review provides a framework for evaluating tetrahedrally bonded semiconducting compounds with respect to their defect behavior for photovoltaic and other applications, and suggests new materials that may not be as prone to such imperfections.

  9. A new third order finite volume weighted essentially non-oscillatory scheme on tetrahedral meshes

    Science.gov (United States)

    Zhu, Jun; Qiu, Jianxian

    2017-11-01

    In this paper a third order finite volume weighted essentially non-oscillatory scheme is designed for solving hyperbolic conservation laws on tetrahedral meshes. Comparing with other finite volume WENO schemes designed on tetrahedral meshes, the crucial advantages of such new WENO scheme are its simplicity and compactness with the application of only six unequal size spatial stencils for reconstructing unequal degree polynomials in the WENO type spatial procedures, and easy choice of the positive linear weights without considering the topology of the meshes. The original innovation of such scheme is to use a quadratic polynomial defined on a big central spatial stencil for obtaining third order numerical approximation at any points inside the target tetrahedral cell in smooth region and switch to at least one of five linear polynomials defined on small biased/central spatial stencils for sustaining sharp shock transitions and keeping essentially non-oscillatory property simultaneously. By performing such new procedures in spatial reconstructions and adopting a third order TVD Runge-Kutta time discretization method for solving the ordinary differential equation (ODE), the new scheme's memory occupancy is decreased and the computing efficiency is increased. So it is suitable for large scale engineering requirements on tetrahedral meshes. Some numerical results are provided to illustrate the good performance of such scheme.

  10. 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

  11. What Factors Coordinate the Optimal Position of a Single Monitoring Well Down Gradient of a Hazardous Site?

    Science.gov (United States)

    Bode, F.; Nowak, W.

    2013-12-01

    Drinking-water well catchments include many sources for potential contaminations like gas stations, roads, or fields used for agriculture. Additionally, there are many contaminated sites that need to be monitored inside and outside drinking water catchments. Finding optimal positions of monitoring wells for such purposes is challenging because there are various parameters (and their uncertainties) that influence the reliability and optimality of a suggested monitoring location. For example, there may be uncertainty in the exact position of the contamination, in the source volume, in the direction of the velocity field which can vary in angle and absolute value, and in other parameters that describe, e.g., dispersion and decay. Many national regulations and UN guidelines suggest monitoring as measure of risk control, but make no statements how to asses or design monitoring under the fact of uncertainty. To obtain optimal positions of monitoring wells, a large body of recent studies uses formal optimization approaches. Our goal is to obtain a better system understanding at a fundamental process level for the one-on-one situation of a single monitoring well for a single monitoring target. This knowledge can be used for a better understanding of the optimization results in complex situations, and also to better guide and restrict optimization procedures by newly obtained export knowledge. In order to obtain fundamental statements regardless of specific simulation settings, we use an analytical model based on the 2D steady-state advection-dispersion equation to predict contaminant transport from the monitoring target. Monte Carlo simulation techniques are applied to represent parametric uncertainty. Thus, we can obtain maps of contaminant detection probability for all possible placements of the monitoring well. The optimal position is defined by the highest detection probability. First findings show that uncertainty in the spill location pushes the optimal monitoring

  12. Finite element simulation of articular contact mechanics with quadratic tetrahedral elements.

    Science.gov (United States)

    Maas, Steve A; Ellis, Benjamin J; Rawlins, David S; Weiss, Jeffrey A

    2016-03-21

    Although it is easier to generate finite element discretizations with tetrahedral elements, trilinear hexahedral (HEX8) elements are more often used in simulations of articular contact mechanics. This is due to numerical shortcomings of linear tetrahedral (TET4) elements, limited availability of quadratic tetrahedron elements in combination with effective contact algorithms, and the perceived increased computational expense of quadratic finite elements. In this study we implemented both ten-node (TET10) and fifteen-node (TET15) quadratic tetrahedral elements in FEBio (www.febio.org) and compared their accuracy, robustness in terms of convergence behavior and computational cost for simulations relevant to articular contact mechanics. Suitable volume integration and surface integration rules were determined by comparing the results of several benchmark contact problems. The results demonstrated that the surface integration rule used to evaluate the contact integrals for quadratic elements affected both convergence behavior and accuracy of predicted stresses. The computational expense and robustness of both quadratic tetrahedral formulations compared favorably to the HEX8 models. Of note, the TET15 element demonstrated superior convergence behavior and lower computational cost than both the TET10 and HEX8 elements for meshes with similar numbers of degrees of freedom in the contact problems that we examined. Finally, the excellent accuracy and relative efficiency of these quadratic tetrahedral elements was illustrated by comparing their predictions with those for a HEX8 mesh for simulation of articular contact in a fully validated model of the hip. These results demonstrate that TET10 and TET15 elements provide viable alternatives to HEX8 elements for simulation of articular contact mechanics. Copyright © 2016 Elsevier Ltd. All rights reserved.

  13. Spiral-type heteropolyhedral coordination network based on single-crystal LiSrPO4: implications for luminescent materials.

    Science.gov (United States)

    Lin, Chun Che; Shen, Chin-Chang; Liu, Ru-Shi

    2013-11-04

    Novel structures of luminescent materials, which are used as light sources for next-generation illumination, are continuously being improved for use in white-light-emitting diodes. Activator-doped known structures are reported as habitual down-conversion phosphors in solid-state lightings and displays. Consequently, the intrinsic qualities of the existent compounds produce deficiencies that limit their applications. Herein we report a spiral-network single-crystal orthophosphate (LiSrPO4) prepared in a platinum crucible with LiCl flux through crystal-growth reactions of SrCl2 and Li3PO4 in air. It crystallizes in a hexagonal system with a=5.0040(2) and c=24.6320(16) Å, V=534.15(5) Å(3), and Z=6 in the space group P6(5). The unit cell is comprised of LiO4 and PO4 tetrahedrons that form a three-dimensional LiPO4(2-) anionic framework with a helical channel structure along the c axis in which the Sr(2+) cation is accommodated. The optical band gap of this composition is about 3.65 eV, as determined by using UV/Vis absorption and diffuse reflection spectra. We used the crystal-growth method to synthesize blue- and red-emitting crystals that exhibited pure color, low reabsorption, a large Stokes shift, and efficient conversion of ultraviolet excitation light into visible light. Emphasis was placed on the development of gratifying structure-related properties of rare-earth luminescent materials and their applications. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Multi-phase Volume Segmentation with Tetrahedral Mesh

    DEFF Research Database (Denmark)

    Nguyen Trung, Tuan; Dahl, Vedrana Andersen; Bærentzen, Jakob Andreas

    Volume segmentation is efficient for reconstructing material structure, which is important for several analyses, e.g. simulation with finite element method, measurement of quantitative information like surface area, surface curvature, volume, etc. We are concerned about the representations of the 3....... In many cases, the voxel grids are converted to explicit meshes, however the conversion may reduce the accuracy of the segmentations, and the effort for meshing is also not trivial. On the other side, methods using unstructured meshes have difficulty in handling topology changes. To reduce the complexity......, previous methods only represent the surfaces, thus they only segment a single region without exterior or interior information (e.g. holes). Finally, yet importantly, previous methods of both representations have issues with multi-material segmentation, where vacuum and overlapping between surfaces occur...

  15. Single-Crystal to Single-Crystal Transformation of a Nonporous Fe(II) Metal-Organic Framework into a Porous Metal-Organic Framework via a Solid-State Reaction.

    Science.gov (United States)

    Spirkl, Sebastian; Grzywa, Maciej; Reschke, Stephan; Fischer, Jonas K H; Sippel, Pit; Demeshko, Serhiy; Krug von Nidda, Hans-Albrecht; Volkmer, Dirk

    2017-10-16

    We report the synthesis of an air-stable nonporous coordination compound based on iron(II) centers, formate anions, and a 4,4'-bipyrazole (H 2 BPZ) ligand. Upon thermal treatment, a porous metal-organic framework (MOF) formed due to decomposition of the incorporated formate anions. This decomposition step and the following structural changes constituted a single-crystal to single-crystal transformation. The resulting [Fe(BPZ)] framework contained tetrahedrally coordinated iron(II) metal centers. The framework was sensitive toward oxidation by molecular oxygen even at temperatures of 183 K, as followed by oxygen sorption measurements and a color change from colorless to metallic black. The semiconductor properties of the oxidized material were studied by diffuse reflectance UV/vis/NIR spectroscopy and dielectric spectroscopy.

  16. Electrochemical DNA Biosensor Based on a Tetrahedral Nanostructure Probe for the Detection of Avian Influenza A (H7N9) Virus.

    Science.gov (United States)

    Dong, Shibiao; Zhao, Rongtao; Zhu, Jiangong; Lu, Xiao; Li, Yang; Qiu, Shaofu; Jia, Leili; Jiao, Xiong; Song, Shiping; Fan, Chunhai; Hao, RongZhang; Song, HongBin

    2015-04-29

    A DNA tetrahedral nanostructure-based electrochemical biosensor was developed to detect avian influenza A (H7N9) virus through recognizing a fragment of the hemagglutinin gene sequence. The DNA tetrahedral probe was immobilized onto a gold electrode surface based on self-assembly between three thiolated nucleotide sequences and a longer nucleotide sequence containing complementary DNA to hybridize with the target single-stranded (ss)DNA. The captured target sequence was hybridized with a biotinylated-ssDNA oligonucleotide as a detection probe, and then avidin-horseradish peroxidase was introduced to produce an amperometric signal through the interaction with 3,3',5,5'-tetramethylbenzidine substrate. The target ssDNA was obtained by asymmetric polymerase chain reaction (PCR) of the cDNA template, reversely transcribed from the viral lysate of influenza A (H7N9) virus in throat swabs. The results showed that this electrochemical biosensor could specifically recognize the target DNA fragment of influenza A (H7N9) virus from other types of influenza viruses, such as influenza A (H1N1) and (H3N2) viruses, and even from single-base mismatches of oligonucleotides. Its detection limit could reach a magnitude of 100 fM for target nucleotide sequences. Moreover, the cycle number of the asymmetric PCR could be reduced below three with the electrochemical biosensor still distinguishing the target sequence from the negative control. To the best of our knowledge, this is the first report of the detection of target DNA from clinical samples using a tetrahedral DNA probe functionalized electrochemical biosensor. It displays that the DNA tetrahedra has a great potential application as a probe of the electrochemical biosensor to detect avian influenza A (H7N9) virus and other pathogens at the gene level, which will potentially aid the prevention and control of the disease caused by such pathogens.

  17. Local coordination of polyvalent metal ions in molten halide mixtures

    International Nuclear Information System (INIS)

    Akdeniz, Z.; Tosi, M.P.

    1989-07-01

    Ample experimental evidence is available in the literature on the geometry and the stability of local coordination for polyvalent metal ions in molten mixtures of their halides with alkali halides. Recent schemes for classifying this evidence are discussed. Dissociation of tetrahedral halocomplexes in good ionic systems can be viewed as a classical Mott problem of bound-state stability in a conducting matrix. More generally, structural coordinates can be constructed from properties of the component elements, to separate out systems with long-lived fourfold or sixfold coordination and to distinguish between these. (author). 11 refs, 1 fig

  18. Coordination chemistry of iron in glasses contributing to remote-sensed spectra of the moon

    Science.gov (United States)

    Dyar, M. D.; Burns, R. G.

    1982-01-01

    Ferric iron and tetrahedrally coordinated Fe(2+) ions are identified using Moessbauer and electronic absorption spectroscopic measurements of synthetic glasses equilibrated at P(O2) less than 10 to the -11 atm, simulating the Luna 24 brown glass and Apollo 15 green glass compositions. The presence of 10-20% ferric iron in these low Ti glasses is a result of the absence of Ti(3+) ions. In the brown glass absorption spectra, tetrahedral Fe(3+) and Fe(2+) ions induce an extension of the oxygen-metal charge transfer band into the visible region further than in the green glass containing predominantly octahedral Fe(2+) and Fe(3+) ions. Whereas the glass one-micron band originates from crystal field transitions in octahedral Fe(2+), the glass two-micron band is now positively correlated with tetrahedral Fe(2+) rather than with Fe(2+) ions in pyroxene M2-like sites in the glass structure. The tetrahedral Fe(2+) do not, however, substitute for Si(4+) in glass network-forming sites, instead occurring as network modifiers in larger tetrahedral interstices. The effect of temperature is to induce a pronounced red-shift of the oxygen-iron charge transfer absorption edge, especially for the brown glass, and to intensify significantly the tetrahedral Fe(2+) crystal field two micron band.

  19. Intraligand Charge Transfer Sensitization on Self-Assembled Europium Tetrahedral Cage Leads to Dual-Selective Luminescent Sensing toward Anion and Cation.

    Science.gov (United States)

    Liu, Cui-Lian; Zhang, Rui-Ling; Lin, Chen-Sheng; Zhou, Li-Peng; Cai, Li-Xuan; Kong, Jin-Tao; Yang, Song-Qiu; Han, Ke-Li; Sun, Qing-Fu

    2017-09-13

    Luminescent supramolecular lanthanide edifices have many potential applications in biology, environments, and materials science. However, it is still a big challenge to improve the luminescent performance of multinuclear lanthanide assemblies in contrast to their mononuclear counterparts. Herein, we demonstrate that combination of intraligand charge transfer (ILCT) sensitization and coordination-driven self-assembly gives birth to bright Eu III tetrahedral cages with a record emission quantum yield of 23.1%. The ILCT sensitization mechanism has been unambiguously confirmed by both time-dependent density functional theory calculation and femtosecond transient absorption studies. Meanwhile, dual-responsive sensing toward both anions and cations has been demonstrated making use of the ILCT transition on the ligand. Without introduction of additional recognition units, high sensitivity and selectivity are revealed for the cage in both turn-off luminescent sensing toward I - and turn-on sensing toward Cu 2+ . This study offers important design principles for the future development of luminescent lanthanide molecular materials.

  20. Single-Crystal X-Ray Diffraction of Orthoenstatite to 48 GPa: New High-Pressure Phases with 4-, 5-, and 6-Coordinated Silicon

    Science.gov (United States)

    Finkelstein, G. J.; Dera, P. K.; Duffy, T. S.

    2013-12-01

    Orthopyroxene (opx, (Mg,Fe)SiO3) is one of the major phases in Earth's upper mantle, comprising ~20% of the region by volume. At high pressures and temperatures, this phase undergoes several well-characterized phase transitions. Its behavior at low temperature is less well known, but may be important for cold subducting slabs (1, 2). Previous studies (3, 4) reported that MgSiO3 orthoenstatite persists up to ~12 GPa, and a phase transition above this pressure was recently discovered by Zhang et al. (5). This structure, which we call β-opx (designated HPCEN2 in previous studies), is related to one predicted by theory (6), and has P21/c monoclinic symmetry. It retains an opx topology despite its lower symmetry, distinguishing it from a true clinopyroxene. We conducted single-crystal X-ray diffraction experiments in a diamond anvil cell at GSECARS and HPCAT at the APS. Mg0.91Fe0.09SiO3 orthopyroxene was compressed in a neon pressure medium with a gold pressure standard. In addition to the orthopyroxene to β-opx transition, we observe two further phase changes at ~28 GPa and ~38 GPa. The transitions result in volume reductions of ~2.5% and ~3.9%, respectively. The Si layers in both new structures are intermediate between the opx structure and that of the ilmenite-structured akimotoite polymorph. Akimotoite consists of edge-sharing MgO6 and SiO6 octahedra arranged in alternating honeycomb sheets. A theoretical study suggested clinoenstatite could transform directly to akimotoite at low temperatures through a shear-based mechanism (7). Here, we observe that the path toward akimotoite-like Si layers is stepwise. In the new MgSiO3 structures, the initial chains of SiO4 tetrahedra are partially converted to the characteristic 6-coordinated honeycomb layers. This results in some 5-coordinated Si sites in both structures. Due to the increased coordination number, we are calling the new structures α- and β-post-orthopyroxene (α-popx and β-popx). The Mg layers, however, do

  1. Ultrahigh-resolution γ-ray spectroscopy of 156Gd: a test of tetrahedral symmetry.

    Science.gov (United States)

    Jentschel, M; Urban, W; Krempel, J; Tonev, D; Dudek, J; Curien, D; Lauss, B; de Angelis, G; Petkov, P

    2010-06-04

    Tetrahedral symmetry in strongly interacting systems would establish a new class of quantum effects at subatomic scale. Excited states in 156Gd that could carry the information about the tetrahedral symmetry were populated in the 155Gd(n,γ)156Gd reaction and studied using the GAMS4/5 Bragg spectrometers at the Institut Laue-Langevin. We have identified the 5(1)- → 3(1)- transition of 131.983(12) keV in 156Gd and determined its intensity to be 1.9(3)x10(-6) per neutron capture. The lifetime τ=220(-30)(+180) fs of the 5(1)- state in 156Gd has been measured using the GRID technique. The resulting B(E2)=293(-134)(+6) Weisskopf unit rate of the 131.983 keV transition provides the intrinsic quadrupole moment of the 5(1)- state in 156Gd to be Q0=7.1(-1.6)(+0.7) b. This large value, comparable to the quadrupole moment of the ground state in 156Gd, gives strong evidence against tetrahedral symmetry in the lowest odd-spin, negative-parity band of 156Gd.

  2. Synthesis, characterization, single crystal X-ray and DFT analysis of disubstituted phosphorodithioates

    Science.gov (United States)

    Kour, Mandeep; Kumar, Sandeep; Feddag, Ahmed; Andotra, Savit; Chouaih, Abdelkader; Gupta, Vivek K.; Kant, Rajni; Pandey, Sushil K.

    2018-04-01

    Disubstituted phosphorodithioates of the type [{(2,5-CH3)2C6H3O}2PS2HNEt3] (1) and [{(3,5-CH3)2C6H3O)2(PS2)}2] (2) were synthesized and characterized by IR and NMR (1H,13C and 31P) spectroscopic studies and as single crystal X-ray analysis. The compound 1 crystallizes in monoclinic space group P21/c whereas compound 2 crystallizes in triclinic space group Pbar1. The X-ray analysis reveals that in compound 1 phosphorus atom is coordinated to the two S and two O atoms to form tetrahedral geometry. The structure is stabilized by cation-anion Nsbnd H⋯S hydrogen bonded interactions. In compound 2, the two phosphorus atoms have a distorted tetrahedral geometry coordinated to two (3,5-CH3)2C6H3O groups. The molecule possesses a crystallographic center of symmetry and consists of zig-zag array of Sdbnd Psbnd Ssbnd Ssbnd Pdbnd S linkages with two diphenyldithiophosphate moieties in the trans configuration. Molecular geometries, HOMO-LUMO analysis and molecular electrostatic potential of compounds 1 and 2 are investigated by theoretical calculations using B3LYP functional with the 6-311G basis combination set in the ground state and compared with the experimental values.

  3. Aspherical-atom modeling of coordination compounds by single-crystal X-ray diffraction allows the correct metal atom to be identified.

    Science.gov (United States)

    Dittrich, Birger; Wandtke, Claudia M; Meents, Alke; Pröpper, Kevin; Mondal, Kartik Chandra; Samuel, Prinson P; Amin Sk, Nurul; Singh, Amit Pratap; Roesky, Herbert W; Sidhu, Navdeep

    2015-02-02

    Single-crystal X-ray diffraction (XRD) is often considered the gold standard in analytical chemistry, as it allows element identification as well as determination of atom connectivity and the solid-state structure of completely unknown samples. Element assignment is based on the number of electrons of an atom, so that a distinction of neighboring heavier elements in the periodic table by XRD is often difficult. A computationally efficient procedure for aspherical-atom least-squares refinement of conventional diffraction data of organometallic compounds is proposed. The iterative procedure is conceptually similar to Hirshfeld-atom refinement (Acta Crystallogr. Sect. A- 2008, 64, 383-393; IUCrJ. 2014, 1,61-79), but it relies on tabulated invariom scattering factors (Acta Crystallogr. Sect. B- 2013, 69, 91-104) and the Hansen/Coppens multipole model; disordered structures can be handled as well. Five linear-coordinate 3d metal complexes, for which the wrong element is found if standard independent-atom model scattering factors are relied upon, are studied, and it is shown that only aspherical-atom scattering factors allow a reliable assignment. The influence of anomalous dispersion in identifying the correct element is investigated and discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. A 2D Coordination Network That Detects Nitro Explosives in Water, Catalyzes Baylis-Hillman Reactions, and Undergoes Unusual 2D→3D Single-Crystal to Single-Crystal Transformation.

    Science.gov (United States)

    Sharma, Vivekanand; De, Dinesh; Pal, Sanchari; Saha, Prithwidip; Bharadwaj, Parimal K

    2017-08-07

    The solvothermal reaction of Zn(NO 3 ) 2 ·6H 2 O and a linear dicarboxylate ligand H 2 L, in the presence of urotropine in N,N'-dimethylformamide (DMF), gives rise to a new porous two-dimensional (2D) coordination network, {[Zn 3 (L) 3 (urotropine) 2 ]·2DMF·3H 2 O} n (1), with hxl topology. Interestingly, framework 1 exhibits excellent emission properties owing to the presence of naphthalene moiety in the linker H 2 L, that can be efficiently suppressed by subtle quantity of nitro explosives in aqueous medium. Furthermore, presence of urotropine molecules bound to the metal centers, 1 is found to be an excellent heterogeneous catalyst meant for atom-economical C-C bond-forming Baylis-Hillman reactions. Additionally, crystals of 1 undergo complete transmetalation with Cu(II) to afford isostructural 1 Cu . Moreover, the 2D framework of 1 allows replacement of urotropine molecules by 4,4'-azopyridine (azp) linker resulting in a three-dimensional (3D) metal-organic framework, {[Zn(L)(azp)]·4DMF 2H 2 O} n (2). The 1→2 transformation takes place in single-crystal-to-single crystal manner supported by powder X-ray diffraction, atomic force microscopy, high-resolution transmission electron microscopy, and morphological studies. Remarkably, during this 2D→3D transformation, the original trinuclear [Zn 3 (COO) 6 ] secondary building unit changes to a mononuclear node, which is unprecedented.

  5. RUN COORDINATION

    CERN Multimedia

    C. Delaere

    2013-01-01

    Since the LHC ceased operations in February, a lot has been going on at Point 5, and Run Coordination continues to monitor closely the advance of maintenance and upgrade activities. In the last months, the Pixel detector was extracted and is now stored in the pixel lab in SX5; the beam pipe has been removed and ME1/1 removal has started. We regained access to the vactank and some work on the RBX of HB has started. Since mid-June, electricity and cooling are back in S1 and S2, allowing us to turn equipment back on, at least during the day. 24/7 shifts are not foreseen in the next weeks, and safety tours are mandatory to keep equipment on overnight, but re-commissioning activities are slowly being resumed. Given the (slight) delays accumulated in LS1, it was decided to merge the two global runs initially foreseen into a single exercise during the week of 4 November 2013. The aim of the global run is to check that we can run (parts of) CMS after several months switched off, with the new VME PCs installed, th...

  6. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Biondo, Elliott D., E-mail: biondo@wisc.edu; Davis, Andrew, E-mail: davisa@engr.wisc.edu; Wilson, Paul P.H., E-mail: wilsonp@engr.wisc.edu

    2016-05-15

    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{sup 5} for problems using the FNG geometry.

  8. 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

  9. H2O-induced trigonal-to-tetrahedral transition in boron zeolites

    International Nuclear Information System (INIS)

    Fois, E.; Gamba, A.; Trudu, F.; Tabacchi, G.

    2008-01-01

    The behaviour of a protonated boron-containing zeolite at intermediate hydration degree has been investigated by means of periodic DFT approaches. Results of a combined room-temperature Car-Parrinello molecular dynamics blue-moon path sampling simulation indicate that, in the line with experimental findings, the BO 3 /Si-OH acid site typical of dry samples is converted to a hydrated H 3 O + hydrogen bonded to tetrahedral BO 4 - at moderate water content (four H 2 O per B site) with an activation free barrier of the order of few k T.

  10. 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

  11. 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.

  12. 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 .

  13. 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.

  14. 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.

  15. Maintaining tetrahedral mesh quality in response to time-dependent topological and geometrical deformation

    Energy Technology Data Exchange (ETDEWEB)

    Kuprat, A.; George, D.

    1998-12-01

    When modeling deformation of geometrically complex regions, unstructured tetrahedral meshes provide the flexibility necessary to track interfaces as they change geometrically and topologically. In the class of time-dependent simulations considered in this paper, multimaterial interfaces are represented by sets of triangular facets, and motion of the interfaces is controlled by physical considerations. The motion of interior points in the conforming tetrahedral mesh (i.e., points not on interfaces) is arbitrary and may be chosen to produce good element shapes. In the context of specified boundary motion driven by physical considerations, they have found that a rather large glossary of mesh changes is required to allow the simulation to survive all the transitions of interface geometry and topology that occur during time evolution. This paper will describe mesh changes required to maintain good element quality as the geometry evolves, as well as mesh changes required to capture changes i n topology that occur when material regions collapse or pinch off. This paper will present a detailed description of mesh changes necessary for capturing the aforementioned geometrical and topological changes, as implemented in the code GRAIN3D, and will provide examples from a metallic grain growth simulation in which the normal velocity of the grain boundary is proportional to mean curvature.

  16. 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)

  17. 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.

  18. Coordinated Transportation: Problems and Promise?

    Science.gov (United States)

    Fickes, Michael

    1998-01-01

    Examines the legal, administrative, and logistical barriers that have prevented the wide acceptance of coordinating community and school transportation services and why these barriers may be breaking down. Two examples of successful implementation of coordinated transportation are examined: employing a single system to serve all transportation…

  19. 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

  20. Relative Positioning Evaluation of a Tetrahedral Flight Formation’s Satellites

    Science.gov (United States)

    Mahler, W. F. C.; Rocco, E. M.; Santos, D. P. S.

    2017-10-01

    This paper presents a study about the tetrahedral layout of four satellites in a way that every half-orbital period this set groups together while flying in formation. The formation is calculated analyzing the problem from a geometrical perspective and disposed by precisely adjusting the orbital parameters of each satellite. The dynamic modelling considers the orbital motion equations. The results are analyzed, compared and discussed. A detection algorithm is used as flag to signal the regular tetrahedron’s exact moments of occurrence. To do so, the volume calculated during the simulation is compared to the real volume, based on the initial conditions of the exact moment of formation and respecting a tolerance. This tolerance value is stablished arbitrarily depending on the mission and the formation’s geometrical parameters. The simulations will run on a computational environment.

  1. 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.

  2. Tetrahedral symmetry in nuclei: Search for its fingerprints in the Actinide and Rare-Earth regions

    Energy Technology Data Exchange (ETDEWEB)

    Curien, D; Dudek, J [Institut Pluridisciplinaire Hubert Curien, UMR7178, IN2P3-CNRS and Universite de Strasbourg 23 rue du Loess BP 28 - 67037 Strasbourg Cedex 2 (France); Mazurek, K, E-mail: Dominique.Curien@ires.in2p3.f [Niewodniczanski Institut of Nuclear Physics, Polish Academy of Sciences, ul. Radzikowskiego 152, Pl-31-342 Krakow, Poland and Grand Accelerateur National d' Ions Lourds Bd Henri Becquerel BP 55027 - 14076 CAEN Cedex 05 (France)

    2010-01-01

    In series of recent theory articles, predictions have been formulated suggesting the existence of nuclear states whose mean-field Hamiltonians and thus the implied geometrical shapes, are characterized by tetrahedral symmetry. Following these publications, series of experiments for the Rare-Earth region have been proposed and performed. In this article, we shortly summarize the theory evolution developed in the original articles and discuss the status of the issue in light of the preliminary results of the ongoing experimental analyses. More recent theoretical results cross checked with extended literature investigations, suggest that the Actinide region might contain the best experimental candidates to investigate the fingerprints of the symmetry. A proposition is made to prove it via lifetime measurements with the so-called {sup m}icrowave method{sup .}

  3. Theoretical study of the O₂ interaction with a tetrahedral Al₄ cluster.

    Science.gov (United States)

    Bacalis, N C; Metropoulos, A; Gross, A

    2010-11-04

    Employing both multireference configuration interaction (MRCI) and density functional theory (DFT) methods, we have studied the interaction of O₂ with a tetrahedral Al₄ cluster in the total spin triplet state. For a parallel to the base approach of O₂ facing an apex of the pyramid, the O₂ adsorption is hindered by a barrier. Both the MRCI and the DFT calculations show that after a small barrier, there are two local energy minima: a shallow one just above the apex atom and another deeper one below the apex atom. The latter corresponds to dissociative O₂ adsorption. We discuss the implications of these findings for the understanding of O₂ adsorption on defect sites of Al surfaces.

  4. Coordination cycles

    Czech Academy of Sciences Publication Activity Database

    Steiner, Jakub

    2008-01-01

    Roč. 63, č. 1 (2008), s. 308-327 ISSN 0899-8256 Institutional research plan: CEZ:AV0Z70850503 Keywords : global games * coordination * crises * cycles and fluctuations Subject RIV: AH - Economics Impact factor: 1.333, year: 2008

  5. Coordination cycles

    Czech Academy of Sciences Publication Activity Database

    Steiner, Jakub

    -, č. 274 (2005), s. 1-26 ISSN 1211-3298 Institutional research plan: CEZ:AV0Z70850503 Keywords : coordination * crises * cycles and fluctuations Subject RIV: AH - Economics http://www.cerge-ei.cz/pdf/wp/Wp274.pdf

  6. 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.

  7. 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.

  8. Low coordinated mononuclear erbium(iii) single-molecule magnets with C3v symmetry: a method for altering single-molecule magnet properties by incorporating hard and soft donors.

    Science.gov (United States)

    Zhang, Haitao; Nakanishi, Ryo; Katoh, Keiichi; Breedlove, Brian K; Kitagawa, Yasutaka; Yamashita, Masahiro

    2018-01-02

    Structures and magnetic characteristics of two three-coordinate erbium(iii) compounds with C 3v geometry, tris(2,6-di-tert-butyl-p-cresolate)erbium, Er(dbpc) 3 (1) and tris(bis(trimethylsilyl)methyl)erbium, Er(btmsm) 3 (2), were determined. Both underwent temperature-dependent slow magnetic relaxation processes in the absence of an external magnetic field. As a result of the differences in the coordination environment, they exhibit different energy barriers and quantum tunneling of magnetization (QTM) constants.

  9. TECHNICAL COORDINATION

    CERN Multimedia

    A. Ball

    Overview From a technical perspective, CMS has been in “beam operation” state since 6th November. The detector is fully closed with all components operational and the magnetic field is normally at the nominal 3.8T. The UXC cavern is normally closed with the radiation veto set. Access to UXC is now only possible during downtimes of LHC. Such accesses must be carefully planned, documented and carried out in agreement with CMS Technical Coordination, Experimental Area Management, LHC programme coordination and the CCC. Material flow in and out of UXC is now strictly controlled. Access to USC remains possible at any time, although, for safety reasons, it is necessary to register with the shift crew in the control room before going down.It is obligatory for all material leaving UXC to pass through the underground buffer zone for RP scanning, database entry and appropriate labeling for traceability. Technical coordination (notably Stephane Bally and Christoph Schaefer), the shift crew and run ...

  10. Lithium tetrachloridoaluminate, LiAlCl4: a new polymorph (oP12, Pmn21 with Li+ in tetrahedral interstices

    Directory of Open Access Journals (Sweden)

    Stephan W. Prömper

    2017-10-01

    Full Text Available Dissolving lithium chloride and aluminium chloride in boiling para- or meta-xylene and keeping the colourless solution at room temperature led to crystal growth of a new modification of lithium tetrachloridoaluminate, LiAlCl4, which represents a second modification (oP12, Pmn21 of the ternary salt besides the long known monoclinic form [LiAlCl4(mP24, P21/c; Mairesse et al. (1977. Cryst. Struct. Commun. 6, 15–18]. The crystal structures of both modifications can be described as slightly distorted hexagonal closest packings of chloride anions. While the lithium cations in LiAlCl4(mP24 are in octahedral coordination and the aluminium and lithium ions in the solid of orthorhombic LiAlCl4 occupy tetrahedral interstices with site symmetries m and 1, respectively, the lithium cation site being half-occupied (defect wurtz-stannite-type structure. From differential scanning calorimetry (DSC measurements, no evidence for a phase transition of the orthorhombic modification is found until the material melts at 148 °C (Tpeak = 152 °C. The melting point is nearly identical to the literature data for LiAlCl4(mP24 [146 °C; Weppner & Huggins (1976. J. Electrochem. Soc. 124, 35–38]. From the melts of both polymorphs, the monoclinic modification recrystallizes.

  11. Coordinated unbundling

    DEFF Research Database (Denmark)

    Timmermans, Bram; Zabala-Iturriagagoitia, Jon Mikel

    2013-01-01

    Public procurement for innovation is a matter of using public demand to trigger innovation. Empirical studies have demonstrated that demand-based policy instruments can be considered to be a powerful tool in stimulating innovative processes among existing firms; however, the existing literature has...... not focused on the role this policy instrument can play in the promotion of (knowledge-intensive) entrepreneurship. This paper investigates this link in more detail and introduces the concept of coordinated unbundling as a strategy that can facilitate this purpose. We also present a framework on how...... to organise public procurement for innovation around this unbundling strategy and provide a set of challenges that need to be addressed....

  12. Chemical insights into the synthesis and properties of polycrystalline and single crystal iron scandium sulfide (FeSc2S4)

    Science.gov (United States)

    Morey, Jennifer R.; Plumb, Kemp W.; Koohpayeh, Seyed M.; Broholm, Collin L.; McQueen, Tyrel M.

    Iron scandium sulfide, FeSc2S4, has recently attracted significant theoretical and experimental interest as a candidate spin-orbital liquid. An AB2X4 spinel, FeSc2S4 (space group Fd-3m, No. 227) features a high degree of frustration associated with the Fe2+, which occupies the A-site diamond sublattice and is tetrahedrally coordinated by sulfur. The Fe2+ ion is in a high spin (S =2) state, resulting in orbital degeneracy due to a single hole on the e orbitals. We report the strides we have made to produce material in powder and single crystal form, and the relationship between the chemistry and the structural, magnetic, and thermodynamic properties of FeSc2S4. This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Material Sciences and Engineering, under Grant No. DEFG02-08ER46544.

  13. TECHNICAL COORDINATION

    CERN Multimedia

    A. Ball

    2010-01-01

    Operational Experience At the end of the first full-year running period of LHC, CMS is established as a reliable, robust and mature experiment. In particular common systems and infrastructure faults accounted for <0.6 % CMS downtime during LHC pp physics. Technical operation throughout the entire year was rather smooth, the main faults requiring UXC access being sub-detector power systems and rack-cooling turbines. All such problems were corrected during scheduled technical stops, in the shadow of tunnel access needed by the LHC, or in negotiated accesses or access extensions. Nevertheless, the number of necessary accesses to the UXC averaged more than one per week and the technical stops were inevitably packed with work packages, typically 30 being executed within a few days, placing a high load on the coordination and area management teams. It is an appropriate moment for CMS Technical Coordination to thank all those in many CERN departments and in the Collaboration, who were involved in CMS techni...

  14. 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

  15. Diffuse scattering on the tetrahedral interstitials and Frenkel pairs in a fcc lattice

    International Nuclear Information System (INIS)

    Augst, G.R.; Vladislavskij, Yu.I.

    1988-01-01

    On the example of tetrahedral interstitial in AHC it is shown,that the presence of interstitial, producing lattice unsymmetrical distortions, in fcc-lattice in diffuse near-Bragg scattering leads to the appearance of the member, which does not depend on the momentum transmitted, apart from normal Huang scattering. Lattice distortion is considered on the basis of lattice statics method. Calculations of distortion field, produced by U 1 -centre in KCl crystal, are carried out. Diffuse scattering on Frankel pairs is considered. It is shown, that near-Bragg diffuse scattering cross-section, averaged by Frenkel pairs configurations, where the vacancy and interstitial are placed at small distances, behaves as q -2 , while averaging by pair configurations, which components are divided at distance of 10 inter-ion intervals, leads to q -4 cross-section dependence. Besides, in this case oscillations in scattering cross-section are obtained. Calculation of diffuse inter-Bragg scattering for KCl crystal with U 1 -centre and impure Frenkel pair is carried out

  16. Vibrational spectra of four-coordinated random networks with periodic boundary conditions

    International Nuclear Information System (INIS)

    Guttman, L.

    1976-01-01

    Examples of perfectly four-coordinated networks satisfying periodic boundary conditions are constructed by a pseudo-random process, starting from a crystalline region. The unphysical features (high density, large deviations from the tetrahedral bond-angle) are removed by systematic modification of the bonding scheme. The vibrational spectra are calculated, using a valence-force potential, and the neutron scattering is computed by a phonon-expansion approximation

  17. Influence of Steam Activation on Pore Structure and Acidity of Zeolite Beta: An Al K Edge XANES Study of Aluminum Coordination

    NARCIS (Netherlands)

    Koningsberger, D.C.; Bokhoven, J.A. van; Kunkeler, P.J.; Bekkum, H. van

    2002-01-01

    The effect of steam activation on the aluminum coordination in zeolite NH{4}-beta was investigated by means of quantitative analysis of Al K edge XANES spectra. Framework tetrahedral aluminum is converted to octahedral aluminum after calcination and steaming, a process that, at the same time,

  18. Growth, structural and magnetic characterization of Al-substituted barium hexaferrite single crystals

    International Nuclear Information System (INIS)

    Vinnik, D.A.; Zherebtsov, D.A.; Mashkovtseva, L.S.; Nemrava, S.; Bischoff, M.; Perov, N.S.; Semisalova, A.S.; Krivtsov, I.V.; Isaenko, L.I.; Mikhailov, G.G.; Niewa, R.

    2014-01-01

    Highlights: • Growth of large Al-substituted crystals BaFe 12−x Al x O 19. • Al-content controllable by flux composition. • Crystallographic site preference of Al unraveled. • Magnetic characterization depending on Al-content. - Abstract: Large single crystals of aluminum-substituted M-type barium hexaferrite BaFe 12−x Al x O 19 were obtained from carbonate flux. The Al content in the crystals can be controlled via the Al content of the flux up to x = 1.1 according to single crystal X-ray structure refinements. Al shows a distinct preference to substitute Fe on crystallographic sites with high coordination numbers by oxygen atoms, whereas no significant amounts of Al can be found on a tetrahedrally coordinated site. An increasing amount of the aluminum dopant results in a monotonous reduction of the Curie temperature from 440 to 415 °C and the saturation magnetization at room temperature from 68 to 57 emu/g for single crystal and from 61 to 53 emu/g for powder samples

  19. Molecular [(Fe3)–(Fe3)] and [(Fe4)–(Fe4)] coordination cluster pairs as single or composite arrays.

    Science.gov (United States)

    Sañudo, E Carolina; Uber, Jorge Salinas; Pons Balagué, Alba; Roubeau, Olivier; Aromí, Guillem

    2012-08-06

    The synthesis of molecular cluster pairs is a challenge for coordination chemists due to the potential applications of these species in molecular spintronics or quantum computing. The ligand H(4)L, 1,3-bis-(3-oxo-3-(2-hydroxyphenyl)-propionyl)-2-methoxybenzene, has been successfully used to obtain a series of such complexes using the basic Fe(III) trinuclear carboxylates as starting materials. Synthetic control has allowed the isolation of the two molecular cluster pairs that form the composite [Fe(4)O(2)(PhCO(2))(6)(H(2)L)(pz)](2)[Fe(3)O(PhCO(2))(5)(py)(H(2)L)](2) (1). The dimers of trinuclear units, [Fe(3)O(PhCO(2))(5)(H(2)O)(H(2)L)](2) (2) and [Fe(3)O(o-MePhCO(2))(5)(H(2)L)(py)](2) (3), and the dimers of tetranuclear units, [Fe(4)O(2)(PhCO(2))(6)(H(2)L)(pz)](2) (4) and [Fe(4)O(2)(o-MePhCO(2))(6)(H(2)L)(pz)](2) (5), are presented here. The magnetic properties of the reported aggregates show that they are pairs of semi-independent clusters weakly interacting magnetically as required for two-qubit quantum gates.

  20. Myxococcus xanthus DK1622 Coordinates Expressions of the Duplicate groEL and Single groES Genes for Synergistic Functions of GroELs and GroES

    Directory of Open Access Journals (Sweden)

    Yue-zhong Li

    2017-04-01

    Full Text Available Chaperonin GroEL (Cpn60 requires cofactor GroES (Cpn10 for protein refolding in bacteria that possess single groEL and groES genes in a bicistronic groESL operon. Among 4,861 completely-sequenced prokaryotic genomes, 884 possess duplicate groEL genes and 770 possess groEL genes with no neighboring groES. It is unclear whether stand-alone groEL requires groES in order to function and, if required, how duplicate groEL genes and unequal groES genes balance their expressions. In Myxococcus xanthus DK1622, we determined that, while duplicate groELs were alternatively deletable, the single groES that clusters with groEL1 was essential for cell survival. Either GroEL1 or GroEL2 required interactions with GroES for in vitro and in vivo functions. Deletion of groEL1 or groEL2 resulted in decreased expressions of both groEL and groES; and ectopic complementation of groEL recovered not only the groEL but also groES expressions. The addition of an extra groES gene upstream groEL2 to form a bicistronic operon had almost no influence on groES expression and the cell survival rate, whereas over-expression of groES using a self-replicating plasmid simultaneously increased the groEL expressions. The results indicated that M. xanthus DK1622 cells coordinate expressions of the duplicate groEL and single groES genes for synergistic functions of GroELs and GroES. We proposed a potential regulation mechanism for the expression coordination.

  1. Co-ordinate single-cell expression of LEE4- and LEE5-encoded proteins of Escherichia coli O157:H7.

    Science.gov (United States)

    Roe, Andrew J; Naylor, Stuart W; Spears, Kevin J; Yull, Helen M; Dransfield, Tracy A; Oxford, Matthew; McKendrick, Iain J; Porter, Megan; Woodward, Martin J; Smith, David G E; Gally, David L

    2004-10-01

    Escherichia coli O157:H7 is a zoonotic pathogen that can express a type III secretion system (TTSS) considered important for colonization and persistence in ruminants. E. coli O157:H7 strains have been shown to vary markedly in levels of protein secreted using the TTSS and this study has confirmed that a high secretion phenotype is more prevalent among isolates associated with human disease than isolates shed by healthy cattle. The variation in secretion levels is a consequence of heterogeneous expression, being dependent on the proportion of bacteria in a population that are actively engaged in protein secretion. This was demonstrated by indirect immunofluorescence and eGFP fusions that examined the expression of locus of enterocyte effacement (LEE)-encoded factors in individual bacteria. In liquid media, the expression of EspA, tir::egfp, intimin, but not map::egfp were co-ordinated in a subpopulation of bacteria. In contrast to E. coli O157:H7, expression of tir::egfp in EPEC E2348/69 was equivalent in all bacteria although the same fusion exhibited variable expression when transformed into an E. coli O157:H7 background. An E. coli O157:H7 strain deleted for the LEE demonstrated weak but variable expression of tir::egfp indicating that the elements controlling the heterogeneous expression lie outside the LEE. The research also demonstrated the rapid induction of tir::egfp and map::egfp on contact with bovine epithelial cells. This control in E. coli O157:H7 may be required to limit exposure of key surface antigens, EspA, Tir and intimin during colonization of cattle but allow their rapid production on contact with bovine gastrointestinal epithelium at the terminal rectum.

  2. 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)

  3. 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.

  4. Electroanalytical performance of nitrogen-containing tetrahedral amorphous carbon thin-film electrodes.

    Science.gov (United States)

    Yang, Xingyi; Haubold, Lars; DeVivo, Gabriel; Swain, Greg M

    2012-07-17

    Tetrahedral amorphous carbon (ta-C) consists of a mixture of sp(3)- and sp(2)-bonded carbon ranging from 60 to 40% (sp(3)/sp(3)+sp(2)) depending on the deposition conditions. The physical, chemical, and electrochemical properties depend on the sp(2)/sp(3) bonding ratio as well as the presence of incorporated impurities, such as hydrogen or nitrogen. The ability to grow ta-C at lower temperatures (25-100 °C) on a wider variety of substrates as compared to CVD diamond is an advantage of this material. Herein, we report on the structural and electrochemical properties of nitrogen-incorporated ta-C thin films (ta-C:N). The incorporation of nitrogen into the films decreases the electrical resistivity from 613 ± 60 (0 sccm N(2)) to 1.10 ± 0.07 Ω-cm (50 sccm N(2)), presumably by increasing the sp(2)-bonded carbon content and the connectedness of these domains. Similar to boron-doped diamond, these materials are characterized by a low background voltammetric current, a wide working potential window (~ 3 V), and relatively rapid electron-transfer kinetics for aqueous redox systems, including Fe(CN)(6)(-3/-4) and Ru(NH(3))(6)(+3/+2), without conventional pretreatment. Additionally, there is weak molecular adsorption of polar molecules (methylene blue) on the ta-C surface. Overall, the properties of the ta-C and ta-C:N electrodes are such that they could be excellent new choices for electroanalytical measurements.

  5. RUN COORDINATION

    CERN Multimedia

    Christophe Delaere

    2013-01-01

    The focus of Run Coordination during LS1 is to monitor closely the advance of maintenance and upgrade activities, to smooth interactions between subsystems and to ensure that all are ready in time to resume operations in 2015 with a fully calibrated and understood detector. After electricity and cooling were restored to all equipment, at about the time of the last CMS week, recommissioning activities were resumed for all subsystems. On 7 October, DCS shifts began 24/7 to allow subsystems to remain on to facilitate operations. That culminated with the Global Run in November (GriN), which   took place as scheduled during the week of 4 November. The GriN has been the first centrally managed operation since the beginning of LS1, and involved all subdetectors but the Pixel Tracker presently in a lab upstairs. All nights were therefore dedicated to long stable runs with as many subdetectors as possible. Among the many achievements in that week, three items may be highlighted. First, the Strip...

  6. Field-Induced Single-Ion Magnet Behaviour in Two New Cobalt(II Coordination Polymers with 2,4,6-Tris(4-pyridyl-1,3,5-triazine

    Directory of Open Access Journals (Sweden)

    Dong Shao

    2017-12-01

    Full Text Available We herein reported the syntheses, crystal structures, and magnetic properties of a two-dimensional coordination polymer {[CoII(TPT2/3(H2O4][CH3COO]2·(H2O4}n (1 and a chain compound {[CoII(TPT2(CHOO2(H2O2]}n (2 based on the 2,4,6-Tris(4-pyridyl-1,3,5-triazine (TPT ligand. Structure analyses showed that complex 1 had a cationic hexagonal framework structure, while 2 was a neutral zig-zag chain structure with different distorted octahedral coordination environments. Magnetic measurements revealed that both complexes exhibit large easy-plane magnetic anisotropy with the zero-field splitting parameter D = 47.7 and 62.1 cm−1 for 1 and 2, respectively. This magnetic anisotropy leads to the field-induced slow magnetic relaxation behaviour. However, their magnetic dynamics are quite different; while complex 1 experienced a dominating thermally activated Orbach relaxation at the whole measured temperature region, 2 exhibited multiple relaxation pathways involving direct, Raman, and quantum tunneling (QTM processes at low temperatures and Orbach relaxation at high temperatures. The present complexes enlarge the family of framework-based single-ion magnets (SIMs and highlight the significance of the structural dimensionality to the final magnetic properties.

  7. Acceptor-oxygen vacancy defect dipoles and fully coordinated defect centers in a ferroelectric perovskite lattice: Electron paramagnetic resonance analysis of Mn2+ in single crystal BaTiO3

    Science.gov (United States)

    Maier, R. A.; Pomorski, T. A.; Lenahan, P. M.; Randall, C. A.

    2015-10-01

    Defect dipoles are significant point defects in perovskite oxides as a result of their impact on oxygen vacancy dynamics. Electron paramagnetic resonance (EPR) was used to investigate the local defect structure of single crystal BaTiO3 doped with manganese. These results, along with a re-analysis of literature data, do not support the conclusion that transition metal-oxygen vacancy nearest neighbor defect dipoles ( M nT i ″ - VO • • ) × in ferroelectric BaTiO3 are majority defect centers as previously reported. Local symmetry analysis of the zero-field splitting term of the spin Hamiltonian supports the assignment of fully coordinated defect centers as opposed to defect dipoles for resonance signals at geff ˜ 2. A newly discovered defect center with g⊥ ˜ 6 is observed in the manganese doped system, and it is argued that this defect center belongs to an associated defect complex or defect dipole. This newly reported strong axial defect center, however, is present in small, minor concentrations compared to the well-known Mn2+ center with zero-field splitting of D ˜ 645 MHz. In regard to relative concentration, it is concluded that the dominant point defect related to the Mn2+ ion doped in BaTiO3 corresponds to B-site substitution with six nearest neighbor anions in octahedral coordination.

  8. Co-ordinate expression of glycine betaine synthesis genes linked by the FMDV 2A region in a single open reading frame in Pichia pastoris.

    Science.gov (United States)

    Wang, Sanhong; Yao, Quanhong; Tao, Jianmin; Qiao, Yushan; Zhang, Zhen

    2007-12-01

    The genes encoding the two enzymes choline monooxygenase (CMO) and betaine aldehyde dehydrogenase (BADH) of glycine betaine synthesis in Suaeda salsa were cloned and fused with the 2A region of foot-and-mouth disease virus in a single open reading frame. The fused genes were placed under the control of the alcohol oxidase (AOX1) promoter in pPIC3B and transformed into P. pastoris GS115. The expression of the fused genes in P. pastoris and the ability of recombinant yeasts to tolerate environmental stresses were studied. The results showed that induced with 0.5% methanol for 96 h, the maximal activities of CMO and BADH in the tested recombinant yeasts were 45- and 44-fold higher than those in the control yeast transformed empty vector only, respectively; the content of glycine betaine in the recombinant yeasts was 28- to 35-fold higher than that in the control. The fused genes linked by 2A region of foot-and-mouth disease virus were expressed in P. pastoris successfully and the polyprotein was 'cleaved' to each functional protein. The yeasts transformed the fused genes, which were more resistant to salt, methanol, and high temperature stresses than the control as result of glycine betaine synthesis genes introduced.

  9. In vitro and in vivo anticancer effects of singly protonated dehydronorcantharidin silver coordination polymer in CT-26 murine colon carcinoma model.

    Science.gov (United States)

    Jin, Xing; Tan, Xuejie; Zhang, Xiumei; Han, Mingyong; Zhao, Yunxue

    2015-10-15

    Silver complexes are active constituents of the metal-based compounds; several studies suggest that silver complexes possess antimicrobial and anticancer properties. We have recently reported that Ag-SP-DNC, a novel silver and singly protonated dehydronorcantharidin complex, triggers oxidative stress-mediated apoptosis of lung cancer cells. In this study, we investigated the anticancer effects of Ag-SP-DNC in CT-26 murine colon carcinoma model. Ag-SP-DNC induced apoptosis of CT-26 cells, together with inhibition of cell proliferation; treatment of CT-26 tumor-bearing mice with Ag-SP-DNC delayed tumor growth. We also explored the mechanism of action of Ag-SP-DNC and found that Ag-SP-DNC treatment of CT-26 cells was associated with high levels of intracellular reactive oxygen species. The further experiments revealed that Ag-SP-DNC-treated cells underwent loss of mitochondrial membrane potential concomitant with intracellular calcium overload and caspase-3 activation. Taken together, our study demonstrates the potent anticancer effects of Ag-SP-DNC to colorectal cancer. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. TECHNICAL COORDINATION

    CERN Multimedia

    A. Ball

    2011-01-01

    1 Operational experience 2011 1.1 Overview Starting on a positive note, it is encouraging that, for the period of this report, the operation of CMS and its entire infrastructure at Point 5 was remarkably stable and efficient. No luminosity was lost due to failures of common systems or infrastructure. The major faults were two failures of rack ventilation turbines, a leak in a water pump in the endcap circuit and the first fast dump of the magnet since underground commissioning. As the rack ventilation units have two turbines, these single turbine failures were tolerated until the next possible access. The water pump survived until the end of the fill after which the circuit was switched to a reserve pump (which in principle is also possible “on the fly”). A faulty position controller of a cryo-valve serving the cryo-power leads caused a spontaneous closure of the valve leading to the fast dump of the magnet. In this case, CMS was lucky once again, since the incident happened on the first ...

  11. 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......, 064422 (2006)]. The calculated excitation spectra show many similarities with the experimental neutron-scattering results. Close to a magnetic Bragg point at 2 K, the theory predicts the presence of a quasielastic phason mode and an inelastic amplitude mode at about 0.6 meV. This is in qualitative...

  12. Vibrational spectroscopy and analysis of pseudo-tetrahedral complexes with metal imido bonds.

    Science.gov (United States)

    Mehn, Mark P; Brown, Steven D; Jenkins, David M; Peters, Jonas C; Que, Lawrence

    2006-09-04

    A number of assignments have been previously posited for the metal-nitrogen stretch (nu(M-NR)), the N-R stretch (nu(MN-R)), and possible ligand deformation modes associated with terminally bound imides. Here we examine mononuclear iron(III) and cobalt(III) imido complexes of the monoanionic tridentate ligand [PhBP3] ([PhBP3] = [PhB(CH2PPh2)3]-) to clarify the vibrational features for these trivalent metal imides. We report the structures of [PhBP3]FeNtBu and [PhBP3]CoNtBu. Pseudo-tetrahedral metal imides of these types exhibit short bond lengths (ca. 1.65 A) and nearly linear angles about the M-N-C linkages, indicative of multiple bond character. Furthermore, these compounds give rise to intense, low-energy visible absorptions. Both the position and the intensity of the optical bands in the [PhBP3]MNR complexes depend on whether the substituent is an alkyl or aryl group. Excitation into the low-energy bands of [PhBP3]FeNtBu gives rise to two Raman features at 1104 and 1233 cm(-1), both of which are sensitive to 15N and 2H labeling. The isotope labeling suggests the 1104 cm(-1) mode has the greatest Fe-N stretching character, while the 1233 cm(-1) mode is affected to a lesser extent by (15)N substitution. The spectra of the deuterium-labeled imides further support this assertion. The data demonstrate that the observed peaks are not simple diatomic stretching modes but are extensively coupled to the vibrations of the ancillary organic group. Therefore, describing these complexes as simple diatomic or even triatomic oscillators is an oversimplification. Analogous studies of the corresponding cobalt(III) complex lead to a similar set of isotopically sensitive resonances at 1103 and 1238 cm(-1), corroborating the assignments made in the iron imides. Very minimal changes in the vibrational frequencies are observed upon replacement of cobalt(III) for iron(III), suggesting similar force constants for the two compounds. This is consistent with the previously proposed

  13. Design of Semiconducting Tetrahedral Mn_{1−x}Zn_{x}O Alloys and Their Application to Solar Water Splitting

    Directory of Open Access Journals (Sweden)

    Haowei Peng

    2015-05-01

    Full Text Available Transition metal oxides play important roles as contact and electrode materials, but their use as active layers in solar energy conversion requires achieving semiconducting properties akin to those of conventional semiconductors like Si or GaAs. In particular, efficient bipolar carrier transport is a challenge in these materials. Based on the prediction that a tetrahedral polymorph of MnO should have such desirable semiconducting properties, and the possibility to overcome thermodynamic solubility limits by nonequilibrium thin-film growth, we exploit both structure-property and composition-structure relationships to design and realize novel wurtzite-structure Mn_{1−x}Zn_{x}O alloys. At Zn compositions above x≈0.3, thin films of these alloys assume the tetrahedral wurtzite structure instead of the octahedral rocksalt structure of MnO, thereby enabling semiconductor properties that are unique among transition metal oxides, i.e., a band gap within the visible spectrum, a band-transport mechanism for both electron and hole carriers, electron doping, and a band lineup suitable for solar hydrogen generation. A proof of principle is provided by initial photo-electrocatalytic device measurements, corroborating, in particular, the predicted favorable hole-transport properties of these alloys.

  14. 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.

  15. Hydrothermal synthesis and crystal Structure of a new coordination polymer: [Zn1(deta(btec(H2O2]n

    Directory of Open Access Journals (Sweden)

    Manel Halouani

    2013-05-01

    Full Text Available A new metal–organic compound [Zn1(deta(btec(H2O2]n where (deta= Diethylenetriamine and (btec= benzenetetracarboxylic acid (I was hydrothermally synthesized from an aqueous solution of Zn(NO32 6H2O, (deta and (btec. Compound I crystallizes in the monoclinic system with the P21/c space group. The unit cell parameters are a= 9.6716(5Å, b= 14.3776(8Å, c= 13.5306(8Å, β= 105.311(3°, Z= 4, V= 1814.71(18 Å3 and Dx= 1.657 g/cm3. The refinement converged into R= 0.045, Rw= 0.048. The structure, determined by single crystal X-ray diffraction, consists of a network of ZnO4 centers, tetrahedrally coordinated by pyromellitate anions giving rise to a two-dimensional sheet structure. The connectivity resembles a 4-connected network in which each Zn atom is connected to four btec anions and each btec anion is linked to four Zn2+ ions.

  16. Ba3GeS5 and Ba3InS4Cl: Interesting size effects originated from the tetrahedral anions

    International Nuclear Information System (INIS)

    Pan, Ming-Yan; Xia, Sheng-Qing; Liu, Xiao-Cun; Tao, Xu-Tang

    2014-01-01

    Two new barium chalcogenides, Ba 3 GeS 5 and Ba 3 InS 4 Cl, were synthesized by using high temperature solid-state reactions and their structures were determined by single-crystal X-ray diffraction technique. Despite the similar chemical formula, the structures of Ba 3 GeS 5 and Ba 3 InS 4 Cl are subtly different due to the size effects originated from the tetrahedral anions. Ba 3 GeS 5 crystallizes in the orthorhombic space group Pnma (no. 62) with cell parameters of a=12.0528(9) Å, b=9.5497(7) Å and c=8.5979(6) Å, while Ba 3 InS 4 Cl adopts a different tetragonal system (space group: I4/mcm, no. 140, a=b=8.3613(6) Å, c=14.3806(18) Å). The measured optical band gap of Ba 3 GeS 5 is 3.0 eV, a little smaller than the value of 3.42 eV in Ba 3 InS 4 Cl. Theoretical calculations by Wien2k are provided as well in order to better understand these results. - Graphical abstract: The polyhedral structure view for Ba 3 GeS 5 and Ba 3 InS 4 Cl in which Ba, S and Cl atoms are plotted in purple, red and green spheres. - Highlights: • Two new barium chalcogenides, Ba 3 GeS 5 and Ba 3 InS 4 Cl, were synthesized from the BaCl 2 -flux reactions. • Their crystal structures feature discrete [MS 4 ] tetrahedra which embody interesting size effects. • Both compounds exhibit a band gap around 3.0 eV. • They are thermally stable up to 1073 K

  17. Coordinators in Safaliba

    OpenAIRE

    Bodua-Mango, Kenneth

    2012-01-01

    This study examines the Safaliba coordinators „ní‟ / „aní‟, „á‟, „ka‟, „chɛ‟ and „bíí‟ in their naturally occurring environments. Safaliba is a Gur language spoken by some 5000 -7000 people in the north-western part of Ghana. The main areas of study include the syntactic categories that each coordinator can coordinate, the semantic properties of each of the coordinators and the pragmatic effect that the use of theses coordinators can have. Combinations of the individual coordinators calle...

  18. Tetrahedral percolation model and energy spectra in proton-nucleus collisions at high energies (300 GeV)

    International Nuclear Information System (INIS)

    Rosa Faulhaber, Jose Carlos da.

    1989-02-01

    We study the mass, isotopic and energy spectrum of fragments arising from a high-energy proton-nucleus collision using the tetrahedrical percolation model. The purpose is to verify whether the model above can reproduce the existing experimental data and to draw, from the deviations observed between the predictions of the model and the experimental results, conclusions which can help us to clarify the essential physical features of multifragmentation. We have determined that the only experimental result that possesses relevant physical information is the high-energy part of the energy spectrum. This is an important point, since many existing models are based on hypothesis suitable to reproduce the mass and isotopic spectrum. This analysis constitutes the original contribution of this work. (author). 44 refs., 30 figs

  19. 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

  20. Symmetry-Directed Self-Assembly of a Tetrahedral Protein Cage Mediated by de Novo-Designed Coiled Coils.

    Science.gov (United States)

    Badieyan, Somayesadat; Sciore, Aaron; Eschweiler, Joseph D; Koldewey, Philipp; Cristie-David, Ajitha S; Ruotolo, Brandon T; Bardwell, James C A; Su, Min; Marsh, E Neil G

    2017-10-05

    The organization of proteins into new hierarchical forms is an important challenge in synthetic biology. However, engineering new interactions between protein subunits is technically challenging and typically requires extensive redesign of protein-protein interfaces. We have developed a conceptually simple approach, based on symmetry principles, that uses short coiled-coil domains to assemble proteins into higher-order structures. Here, we demonstrate the assembly of a trimeric enzyme into a well-defined tetrahedral cage. This was achieved by genetically fusing a trimeric coiled-coil domain to its C terminus through a flexible polyglycine linker sequence. The linker length and coiled-coil strength were the only parameters that needed to be optimized to obtain a high yield of correctly assembled protein cages. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Structure and charge control in metal-organic frameworks based on the tetrahedral ligand tetrakis(4-tetrazolylphenyl)methane.

    Science.gov (United States)

    Dinca, Mircea; Dailly, Anne; Long, Jeffrey R

    2008-01-01

    Use of the tetrahedral ligand tetrakis(4-tetrazolylphenyl)methane enabled isolation of two three-dimensional metal-organic frameworks featuring 4,6- and 4,8-connected nets related to the structures of garnet and fluorite with the formulae Mn(6)(ttpm)(3)5 DMF3 H(2)O (1) and Cu[(Cu(4)Cl)(ttpm)(2)](2)CuCl(2)5 DMF11 H(2)O (2) (H(4)ttpm=tetrakis(4-tetrazolylphenyl)methane). The fluorite-type solid 2 displays an unprecedented post-synthetic transformation in which the negative charge of the framework is reduced by extraction of copper(II) chloride. Desolvation of this compound generates Cu(4)(ttpm)(2)0.7 CuCl(2) (2 d), a microporous material exhibiting a high surface area and significant hydrogen uptake.

  2. Mesostructured Metal Germanium Sulfide and Selenide Materials Based on the Tetrahedral [Ge 4S 10] 4- and [Ge 4Se 10] 4- Units: Surfactant Templated Three-Dimensional Disordered Frameworks Perforated with Worm Holes

    Science.gov (United States)

    Wachhold, Michael; Kasthuri Rangan, K.; Lei, Ming; Thorpe, M. F.; Billinge, Simon J. L.; Petkov, Valeri; Heising, Joy; Kanatzidis, Mercouri G.

    2000-06-01

    The polymerization of [Ge4S10]4- and [Ge4Se10]4- unit clusters with the divalent metal ions Zn2+, Cd2+, Hg2+, Ni2+, and Co2+ in the presence of various surfactant cations leads to novel mesostructured phases. The surfactants are the quaternary ammonium salts C12H25NMe3Br, C14H29NMe3Br, C16H33NMe3Br, and C18H37NMe3Br, which play the role of templates, helping to assemble a three-dimensional mesostructured metal-germanium chalcogenide framework. These materials are stoichiometric in nature and have the formula of (R-NMe3)2[MGe4Q10] (Q=S, Se). The local atomic structure was probed by X-ray diffuse scattering and pair distribution function analysis methods and indicates that the adamantane clusters stay intact while the linking metal atoms possess a tetrahedral coordination environment. A model can be derived, from the comparison of measured and simulated X-ray powder diffraction patterns, describing the structure as an amorphous three-dimensional framework consisting of adamantane [Ge4Q10]4- units that are bridged by tetrahedral coordinated M2+ cations. The network structures used in the simulations were derived from corresponding disordered structures developed for amorphous silicon. The frameworks in (R-NMe3)2[MGe4Q10] are perforated with worm hole-like tunnels, occupied by the surfactant cations, which show no long-range order. This motif is supported by transmission electron microscopy images of these materials. The pore sizes of these channels were estimated to lie in the range of 20-30 Å, depending on the appointed surfactant cation length. The framework wall thickness of ca. 10 Å is thereby independent from the surfactant molecules used. Up to 80% of the surfactant molecules can be removed by thermal degradation under vacuum without loss of mesostructural integrity. Physical, chemical, and spectroscopic properties of these materials are discussed.

  3. Coordinated hybrid automatic repeat request

    KAUST Repository

    Makki, Behrooz

    2014-11-01

    We develop a coordinated hybrid automatic repeat request (HARQ) approach. With the proposed scheme, if a user message is correctly decoded in the first HARQ rounds, its spectrum is allocated to other users, to improve the network outage probability and the users\\' fairness. The results, which are obtained for single- and multiple-antenna setups, demonstrate the efficiency of the proposed approach in different conditions. For instance, with a maximum of M retransmissions and single transmit/receive antennas, the diversity gain of a user increases from M to (J+1)(M-1)+1 where J is the number of users helping that user.

  4. Motivic amplitudes and cluster coordinates

    International Nuclear Information System (INIS)

    Golden, J.K.; Goncharov, A.B.; Spradlin, M.; Vergu, C.; Volovich, A.

    2014-01-01

    In this paper we study motivic amplitudes — objects which contain all of the essential mathematical content of scattering amplitudes in planar SYM theory in a completely canonical way, free from the ambiguities inherent in any attempt to choose particular functional representatives. We find that the cluster structure on the kinematic configuration space Conf n (ℙ 3 ) underlies the structure of motivic amplitudes. Specifically, we compute explicitly the coproduct of the two-loop seven-particle MHV motivic amplitude A 7,2 M and find that like the previously known six-particle amplitude, it depends only on certain preferred coordinates known in the mathematics literature as cluster X-coordinates on Conf n (ℙ 3 ). We also find intriguing relations between motivic amplitudes and the geometry of generalized associahedrons, to which cluster coordinates have a natural combinatoric connection. For example, the obstruction to A 7,2 M being expressible in terms of classical polylogarithms is most naturally represented by certain quadrilateral faces of the appropriate associahedron. We also find and prove the first known functional equation for the trilogarithm in which all 40 arguments are cluster X-coordinates of a single algebra. In this respect it is similar to Abel’s 5-term dilogarithm identity

  5. Isotropic Single Negative Metamaterials

    Directory of Open Access Journals (Sweden)

    P. Protiva

    2008-09-01

    Full Text Available This paper presents the application of simple, and therefore cheap, planar resonators for building 3D isotropic metamaterials. These resonators are: a broadside-coupled split ring resonator with a magnetic response providing negative permeability; an electric dipole terminated by a loop inductor together with a double H-shaped resonator with an electric response providing negative permittivity. Two kinds of 3D isotropic single negative metamaterials are reported. The first material consists of unit cells in the form of a cube bearing on its faces six equal planar resonators with tetrahedral symmetry. In the second material, the planar resonators boxed into spherical plastic shells and randomly distributed in a hosting material compose a real 3D volumetric metamaterial with an isotropic response. In both cases the metamaterial shows negative permittivity or permeability, according to the type of resonators that are used. The experiments prove the isotropic behavior of the cells and of the metamaterial specimens.

  6. 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.

  7. High pressure effect on MoS2 and MoSe2 single crystals grown by ...

    Indian Academy of Sciences (India)

    Unknown

    tetrahedral anvil apparatus up to 5 GPa. In this paper we report room temperature resistance mea- surements as a function of pressure on MoS2 and MoSe2 single crystals. In each case the resistance decreases un- der pressure due to an increase in the carrier concentration. 2. Experimental. Single crystals of MoS2 and ...

  8. Polymeric coordination compounds

    Indian Academy of Sciences (India)

    Administrator

    Ce(dipic)3Sr(dipicH2)(OH2)3·5H2O (4) (dipicH2 – dipicolinic acid) exhibits 1-D polymeric chain structure, built up of alternating nine coordinate Ce and eight coordinate. Sr polyhedra. The analogous Ce–Ba compound (5) exhibits a polymeric chain built up of nine coordinate Ba units only, arranged in a hexagonal lattice.

  9. TURNAROUND COORDINATOR. YES OR NOT?

    Directory of Open Access Journals (Sweden)

    Martin HROMÁDKA

    2013-12-01

    Full Text Available Both low cost carriers ‘fresh wind’ and liberalisation of ground handling market makes airlines to be cost-wise in every single field. Thus, ground handling contract are cutting down in terms of their costs. Handling companies struggle with pressure being put from the market environment, they rush 25 minutes turnaround with couple of people. This can be potentially dangerous from the safety point of view. One of possible solutions seems to be introducing turnaround coordinator, person who would supervise the ramp handling procedures. This paper discusses the role of turnaround coordinator within the aircraft turnaround process. Duties and responsibilities of this person are described. However, not every airport is staffing this position. The survey shows that smaller airports pay much more attention to this issue than the big ones.

  10. An efficient method for energy levels calculation using full symmetry and exact kinetic energy operator: Tetrahedral molecules

    Science.gov (United States)

    Nikitin, A. V.; Rey, M.; Tyuterev, Vl. G.

    2015-03-01

    A simultaneous use of the full molecular symmetry and of an exact kinetic energy operator (KEO) is of key importance for accurate predictions of vibrational levels at a high energy range from a potential energy surface (PES). An efficient method that permits a fast convergence of variational calculations would allow iterative optimization of the PES parameters using experimental data. In this work, we propose such a method applied to tetrahedral AB4 molecules for which a use of high symmetry is crucial for vibrational calculations. A symmetry-adapted contracted angular basis set for six redundant angles is introduced. Simple formulas using this basis set for explicit calculation of the angular matrix elements of KEO and PES are reported. The symmetric form (six redundant angles) of vibrational KEO without the sin(q)-2 type singularity is derived. The efficient recursive algorithm based on the tensorial formalism is used for the calculation of vibrational matrix elements. A good basis set convergence for the calculations of vibrational levels of the CH4 molecule is demonstrated.

  11. Final Report - High-Order Spectral Volume Method for the Navier-Stokes Equations On Unstructured Tetrahedral Grids

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Z J

    2012-12-06

    The overriding objective for this project is to develop an efficient and accurate method for capturing strong discontinuities and fine smooth flow structures of disparate length scales with unstructured grids, and demonstrate its potentials for problems relevant to DOE. More specifically, we plan to achieve the following objectives: 1. Extend the SV method to three dimensions, and develop a fourth-order accurate SV scheme for tetrahedral grids. Optimize the SV partition by minimizing a form of the Lebesgue constant. Verify the order of accuracy using the scalar conservation laws with an analytical solution; 2. Extend the SV method to Navier-Stokes equations for the simulation of viscous flow problems. Two promising approaches to compute the viscous fluxes will be tested and analyzed; 3. Parallelize the 3D viscous SV flow solver using domain decomposition and message passing. Optimize the cache performance of the flow solver by designing data structures minimizing data access times; 4. Demonstrate the SV method with a wide range of flow problems including both discontinuities and complex smooth structures. The objectives remain the same as those outlines in the original proposal. We anticipate no technical obstacles in meeting these objectives.

  12. Superfocussing in a metal-coated tetrahedral tip by dimensional reduction of surface-to edge-plasmon modes

    Science.gov (United States)

    Tanaka, K.; Burr, G. W.; Grosjean, T.; Maletzky, T.; Fischer, U. C.

    2008-10-01

    Metal-coated dielectric tetrahedral tips (T-tip) have long been considered to be interesting structures for the confinement of light to nanoscopic dimensions, and in particular as probes for scanning near-field optical microscopy. Numerical investigations using the Finite-Difference Time-Domain (FDTD) method are used to explore the operation of a T-tip in extraction mode. A dipole source in close proximity to the apex excites the tip, revealing the field evolution in the tip, the resulting edge and face modes on the metal-coated surfaces, and the coupling from these modes into highly directional radiation into the dielectric interior of the tip. These results are the starting point for illumination-mode numerical investigations by a Volume Integral equation method, which compute the field distribution that develops in a T-tip when a Gaussian beam is incident into the tip, and which show that a highly confined electric field is produced at the apex of the tip. The process of light confinement can be considered as a superfocussing effect, because the intensity of the tightly confined light spot is significantly higher than that of the focussed yet much wider incident beam. The mechanism of superfocussing can be considered as a dimensional reduction of surface plasmon modes, where an edge plasmon is the most important link between the waveguide-modes inside the tip and the confined near field at the apex.

  13. 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%.

  14. Three-Dimensional Cadmium(II Cyanide Coordination Polymers with Ethoxy-, Butoxy- and Hexyloxy-ethanol

    Directory of Open Access Journals (Sweden)

    Takeshi Kawasaki

    2016-08-01

    Full Text Available The three novel cadmium(II cyanide coordination polymers with alkoxyethanols, [Cd(CN2(C2H5OCH2CH2OH]n (I, [{Cd(CN2(C4H9OCH2CH2OH}3{Cd(CN2}]n (II and [{Cd(CN2(H2O2}{Cd(CN2}3·2(C6H13OCH2CH2OH]n (III, were synthesized and charcterized by structural determination. Three complexes have three-dimensional Cd(CN2 frameworks; I has distorted tridymite-like structure, and, II and III have zeolite-like structures. The cavities of Cd(CN2 frameworks of the complexes are occupied by the alkoxyethanol molecules. In I and II, hydroxyl oxygen atoms of alkoxyethanol molecules coordinate to the Cd(II ions, and the Cd(II ions exhibit slightly distort trigonal-bipyramidal coordination geometry. In II, there is also tetrahedral Cd(II ion which is coordinated by only the four cyanides. The hydroxyl oxygen atoms of alkoxyethanol connects etheric oxygen atoms of the neighboring alkoxyethanol by hydrogen bond in I and II. In III, hexyloxyethanol molecules do not coordinate to the Cd(II ions, and two water molecules coordnate to the octahedral Cd(II ions. The framework in III contains octahedral Cd(II and tetrahedral Cd(II in a 1:3 ratio. The Cd(CN2 framework structures depended on the difference of alkyl chain for alkoxyethanol molecules.

  15. Coordination failure caused by sunspots

    DEFF Research Database (Denmark)

    Beugnot, Julie; Gürgüç, Zeynep; Øvlisen, Frederik Roose

    2012-01-01

    In a coordination game with Pareto-ranked equilibria, we study whether a sunspot can lead to either coordination on an inferior equilibrium (mis-coordination) or to out-of equilibrium behavior (dis-coordination). While much of the literature searches for mechanisms to attain coordination on the e......In a coordination game with Pareto-ranked equilibria, we study whether a sunspot can lead to either coordination on an inferior equilibrium (mis-coordination) or to out-of equilibrium behavior (dis-coordination). While much of the literature searches for mechanisms to attain coordination...

  16. Coordinate measuring machines

    DEFF Research Database (Denmark)

    De Chiffre, Leonardo

    This document is used in connection with three exercises of 2 hours duration as a part of the course GEOMETRICAL METROLOGY AND MACHINE TESTING. The exercises concern three aspects of coordinate measuring: 1) Measuring and verification of tolerances on coordinate measuring machines, 2) Traceability...

  17. Synthesis and Single Crystal X-Ray Structure Determination of 3,3',5 ...

    African Journals Online (AJOL)

    Single crystal structure determination at 100 K revealed needle-like crystals in an orthorhombic crystal system. The asymmetric unit of the cell consists of an isolated chloride ion, one half of a tetrahedral [MnCl4]2- anion, a [H2Me4bpz]2+ dication and one half of a molecule of water. Keywords: Crystal Engineering, Hydrogen ...

  18. A fully tetrahedral and highly corner-sharing network model of ZnCl2 glass and its comparison to SiO2 glass.

    Science.gov (United States)

    Swansbury, Laura A; Mountjoy, Gavin

    2017-07-28

    Zinc chloride, ZnCl 2 , is intermediate between a strong and a fragile glass former. During computational simulations, it is therefore important to account for ion polarizability. This, together with the lack of suitable interatomic potential parameters, is the likely cause for the lack of modeling studies on ZnCl 2 glass which contain a high degree of ZnCl 4 tetrahedral units. Through using accurate interatomic potential parameters and applying the adiabatic core-shell model, the first fully tetrahedral model of ZnCl 2 glass was obtained. The Cl-Zn-Cl bond angle of 109° reproduced the ideal tetrahedral bond angle, and the calculated total neutron and x-ray structure factors closely replicated experimental findings. While 86% of the ZnCl 4 tetrahedral units were corner-sharing, 14% were found to be edge-sharing. This led to two distinct contributions in both the Zn-Cl-Zn bond angle distribution and in the Zn⋯Zn nearest neighbour peaks being seen. These are not apparent in studies based on neutron diffraction. By comparing the intermediate glass former ZnCl 2 to the strong glass former SiO 2 , marked differences in ring statistics became apparent. The Zn-Cl-Zn bond angle of around 110° enabled 3-membered rings to form in significant proportions. In contrast, 3-membered rings were only present in SiO 2 glass as defects. By calculating the ZnCl 2 and SiO 2 partial structure factors, strong similarities became visible after scaling according to nearest neighbour distances. Although it was apparent that the main contributions to the first sharp diffraction peak (FSDP) came from cation-anion correlations, the relative scaling of the FSDP positions in ZnCl 2 and SiO 2 glass was not understood.

  19. Coordinating Interactions: The Event Coordination Notation

    DEFF Research Database (Denmark)

    Kindler, Ekkart

    on a much more technical level. The Event Coordination Notation (ECNO) allows modelling the behaviour of an application on a high level of abstraction that is closer to the application’s domain than to the software realizing it. Still, these models contain all necessary details for actually executing...... the models and for generating code from them. In order to be able to model the behaviour of a domain, the ECNO makes the events in which the different elements of the domain could engage explicit. The local behaviour of an element defines at which time an element can engage or participate in an event....... The global behaviour of the application results from different elements jointly engaging in such events, which is called an interaction. Which events are supposed to be jointly executed and which elements need to join in is defined by so-called coordination diagrams of the ECNO. Together, the models...

  20. Rare earth niobate coordination polymers

    Science.gov (United States)

    Muniz, Collin N.; Patel, Hiral; Fast, Dylan B.; Rohwer, Lauren E. S.; Reinheimer, Eric W.; Dolgos, Michelle; Graham, Matt W.; Nyman, May

    2018-03-01

    Rare-earth (RE) coordination polymers are infinitely tailorable to yield luminescent materials for various applications. Here we described the synthesis of a heterometallic rare-earth coordination compound ((CH3)2SO)3(RE)NbO(C2O4)3((CH3)2SO) = dimethylsulfoxide, DMSO, (C2O2= oxalate), (RE=La, Ce, Pr, Nd, Sm, Eu, Gd, Tb). The structure was obtained from single crystal X-ray diffraction of the La analogue. The Nb˭O and DMSO terminal-bonding character guides assembly of an open framework structure with noncentrosymmetric RE-coordination geometry, and large spacing between the RE centers. A second structure was observed by PXRD for the smaller rare earths (Dy, Ho, Er, Yb); this structure has not yet been determined. The materials were further characterized using FTIR, and photoluminescence measurements. Characteristic excitation and emission transitions were observed for RE = Nd, Sm, Eu, and Tb. Quantum yield (QY) measurements were performed by exciting Eu and Tb analoges at 394 nm (QY 66%) and 464 nm (QY 71%) for Eu; and 370 nm (QY=40%) for Tb. We attribute the high QY and bright luminescence to two main structure-function properties of the system; namely the absence of water in the structure, and absence of concentration quenching.

  1. 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.

  2. Synthesis and Molecular Structures of Two [1,4-bis(3-pyridyl)-2,3-diazo-1,3-butadiene]-dichloro-Zn(II) Coordination Polymers

    OpenAIRE

    Lee, Gene-Hsiang; Wang, Hsin-Ta

    2006-01-01

    Two novel coordination polymers with 3D metal-organic frameworks (MOFs) have been synthesized by reacting 1,4-bis(3-pyridyl)-2,3-diazo-1,3-butadiene (L) with zinc dichloride. Both compounds have the same repeating unit consisting of a distorted tetrahedral Zn(II) center coordinated by two chlorides and two pyridyl nitrogen atoms of two bridging bismonodentate L ligands, however, different structural conformations have been found, one forming a helical chain and the other producing a square-wa...

  3. 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.

  4. Modeling, Control and Coordination of Helicopter Systems

    CERN Document Server

    Ren, Beibei; Chen, Chang; Fua, Cheng-Heng; Lee, Tong Heng

    2012-01-01

    Modeling, Control and Coordination of Helicopter Systems provides a comprehensive treatment of helicopter systems, ranging from related nonlinear flight dynamic modeling and stability analysis to advanced control design for single helicopter systems, and also covers issues related to the coordination and formation control of multiple helicopter systems to achieve high performance tasks. Ensuring stability in helicopter flight is a challenging problem for nonlinear control design and development. This book is a valuable reference on modeling, control and coordination of helicopter systems,providing readers with practical solutions for the problems that still plague helicopter system design and implementation. Readers will gain a complete picture of helicopters at the systems level, as well as a better understanding of the technical intricacies involved. This book also: Presents a complete picture of modeling, control and coordination for helicopter systems Provides a modeling platform for a general class of ro...

  5. Dynamics of expertise level: Coordination in handstand.

    Science.gov (United States)

    Gautier, Geoffroy; Marin, Ludovic; Leroy, David; Thouvarecq, Régis

    2009-02-01

    The aim of the present study was to investigate the effect of expertise on coordination patterns. We thus tested the coordination dynamics of two groups: experts in the handstand also having high expertise in gymnastics and experts in the handstand but only intermediate expertise in gymnastics. All participants were instructed to track a target with their ankles while maintaining the handstand. The target moved on the anterior-posterior axis according to three frequency conditions: 0.2, 0.4 and 0.6 Hz. The results showed that the suprapostural task was performed better by the group with high gymnastics expertise. Moreover, the spontaneous coordination was specific to the level of gymnastics expertise. We concluded that (i) the dynamics of coordination progress with the overall level of expertise in a sport discipline, independently of the mastery of a single skill, (ii) persistence and change are seen in related movement properties, and (iii) high expertise offers greater adaptability relative to the task.

  6. Developmental coordination disorder

    Science.gov (United States)

    Developmental coordination disorder can lead to: Learning problems Low self-esteem resulting from poor ability at sports and teasing by other children Repeated injuries Weight gain as a result of not wanting to participate ...

  7. Supercritical Airfoil Coordinates

    Data.gov (United States)

    National Aeronautics and Space Administration — Rectangular Supercritical Wing (Ricketts) - design and measured locations are provided in an Excel file RSW_airfoil_coordinates_ricketts.xls . One sheet is with Non...

  8. Regional transit coordination guidebook.

    Science.gov (United States)

    2009-01-01

    Constant growth in rural areas and extensive suburban development have contributed to increasingly more people needing seamless and adequate public transportation into and from nearby cities. Coordinating existing services or determining the need for...

  9. Environmental Compliance Issue Coordination

    Science.gov (United States)

    An order to establish the Department of Energy (DOE) requirements for coordination of significant environmental compliance issues to ensure timely development and consistent application of Departmental environmental policy and guidance

  10. Haskell_#: Coordinating Functional Processes

    OpenAIRE

    Junior, Francisco Heron de Carvalho; Lins, Rafael Dueire

    2012-01-01

    This paper presents Haskell#, a coordination language targeted at the efficient implementation of parallel scientific applications on loosely coupled parallel architectures, using the functional language Haskell. Examples of applications, their implementation details and performance figures are presented.

  11. Understanding social motor coordination.

    Science.gov (United States)

    Schmidt, R C; Fitzpatrick, Paula; Caron, Robert; Mergeche, Joanna

    2011-10-01

    Recently there has been much interest in social coordination of motor movements, or as it is referred to by some researchers, joint action. This paper reviews the cognitive perspective's common coding/mirror neuron theory of joint action, describes some of its limitations and then presents the behavioral dynamics perspective as an alternative way of understanding social motor coordination. In particular, behavioral dynamics' ability to explain the temporal coordination of interacting individuals is detailed. Two experiments are then described that demonstrate how dynamical processes of synchronization are apparent in the coordination underlying everyday joint actions such as martial art exercises, hand-clapping games, and conversations. The import of this evidence is that emergent dynamic patterns such as synchronization are the behavioral order that any neural substrate supporting joint action (e.g., mirror systems) would have to sustain. Copyright © 2010 Elsevier B.V. All rights reserved.

  12. Pressure-induced drastic collapse of a high oxygen coordination shell in quartz-like α-GeO2

    International Nuclear Information System (INIS)

    Dong, Juncai; Zhang, Xiaoli; Wu, Ziyu; Chen, Dongliang; Zhang, Qian; Wu, Ye; Wu, Xiang

    2014-01-01

    With the combination of a single crystal diamond anvil cell and a polycapillary half-lens, the local structural evolution around germanium in tetrahedrally networked quartz-like α-GeO 2 has been investigated using extended x-ray absorption fine structure spectroscopy of up to 14 GPa by multiple-scattering analysis method. While the first shell Ge–O bond distances show a slight contraction with increasing pressure, the third shell Ge–O bond distances are found to decrease dramatically. The sluggish lengthening of the first shell Ge–O bond distances, initiated by coordination increase from fourfold to sixfold, occurs in the 7–14 GPa range just when the third shell Ge–O bond distances fall in the region of the second shell Ge–Ge bond distances. Moreover, these features are accompanied by the closing of intertetrahedral Ge–O–Ge angles and the opening of two intratetrahedral O–Ge–O angles, whose topological configuration surprisingly exhibits a helical chirality along the c axis that is opposite to the double helices of the corner-linked GeO 4 tetrahedra. These results suggest that the high-pressure phase transitions in quartz and quartz-like materials could be associated with a structural instability that is driven by the drastic collapse of the next-nearest-neighbour anion shell, which is consistent with the emergence of high-symmetry anion sublattice. Our findings provide crucial insights into the densification mechanisms of quartz-like oxides, which would have broad implications for our understanding of the metastability of various post-quartz crystalline phases and pressure-induced amorphization. (paper)

  13. Coordinated Displays to Assist Cyber Defenders

    Science.gov (United States)

    2016-09-23

    checks: Detecting satisficing to increase statistical power. Journal of Experimental Social Psychology , 45, 867-872. Scarfone, K., & Mell, P. (2007...regardless of display condition (coordinated or uncoordinated). METHOD Participants & Experimental Design In this experiment, 46 people (19...previous experience in cyber defense. Experimental Design This study featured a single experimental factor, display condition, and a control

  14. Ab initio coordination chemistry for nickel chelation motifs.

    Science.gov (United States)

    Sudan, R Jesu Jaya; Kumari, J Lesitha Jeeva; Sudandiradoss, C

    2015-01-01

    Chelation therapy is one of the most appreciated methods in the treatment of metal induced disease predisposition. Coordination chemistry provides a way to understand metal association in biological structures. In this work we have implemented coordination chemistry to study nickel coordination due to its high impact in industrial usage and thereby health consequences. This paper reports the analysis of nickel coordination from a large dataset of nickel bound structures and sequences. Coordination patterns predicted from the structures are reported in terms of donors, chelate length, coordination number, chelate geometry, structural fold and architecture. The analysis revealed histidine as the most favored residue in nickel coordination. The most common chelates identified were histidine based namely HHH, HDH, HEH and HH spaced at specific intervals. Though a maximum coordination number of 8 was observed, the presence of a single protein donor was noted to be mandatory in nickel coordination. The coordination pattern did not reveal any specific fold, nevertheless we report preferable residue spacing for specific structural architecture. In contrast, the analysis of nickel binding proteins from bacterial and archeal species revealed no common coordination patterns. Nickel binding sequence motifs were noted to be organism specific and protein class specific. As a result we identified about 13 signatures derived from 13 classes of nickel binding proteins. The specifications on nickel coordination presented in this paper will prove beneficial for developing better chelation strategies.

  15. Distributed optimal coordination for distributed energy resources in power systems

    DEFF Research Database (Denmark)

    Wu, Di; Yang, Tao; Stoorvogel, A.

    2017-01-01

    Driven by smart grid technologies, distributed energy resources (DERs) have been rapidly developing in recent years for improving reliability and efficiency of distribution systems. Emerging DERs require effective and efficient coordination in order to reap their potential benefits. In this paper......, we consider an optimal DER coordination problem over multiple time periods subject to constraints at both system and device levels. Fully distributed algorithms are proposed to dynamically and automatically coordinate distributed generators with multiple/single storages. With the proposed algorithms...

  16. Extended structures of two coordination polymers based on 1,10 ...

    Indian Academy of Sciences (India)

    quinoxaline) by hydrothermal processing and structural characterization by ele- mental analysis, thermogravimetric analysis and single-crystal X-ray diffraction. The coordination polymers 1 and 2 have 1D chains formed via coordination bonds ...

  17. Porous phosphorescent coordination polymers for oxygen sensing.

    Science.gov (United States)

    Xie, Zhigang; Ma, Liqing; deKrafft, Kathryn E; Jin, Athena; Lin, Wenbin

    2010-01-27

    Phosphorescent cyclometalated iridium tris(2-phenylpyridine) derivatives were designed and incorporated into coordination polymers as tricarboxylate bridging ligands. Three different crystalline coordination polymers were synthesized using a solvothermal technique and were characterized using a variety of methods, including single-crystal X-ray diffraction, PXRD, TGA, IR spectroscopy, gas adsorption measurements, and luminescence measurements. The coordination polymer built from Ir[3-(2-pyridyl)benzoate](3), 1, was found to be highly porous with a nitrogen BET surface area of 764 m(2)/g, whereas the coordination polymers built from Ir[4-(2-pyridyl)benzoate](3), 2 and 3, were nonporous. The (3)MLCT phosphorescence of each of the three coordination polymers was quenched in the presence of O(2). However, only 1 showed quick and reversible luminescence quenching by oxygen, whereas 2 and 3 exhibited gradual and irreversible luminescence quenching by oxygen. The high permanent porosity of 1 allows for rapid diffusion of oxygen through the open channels, leading to efficient and reversible quenching of the (3)MLCT phosphorescence. This work highlights the opportunity of designing highly porous and luminescent coordination polymers for sensing other important analytes.

  18. Structural variability in Cu(I) and Ag(I) coordination polymers with a flexible dithione ligand: Synthesis, crystal structure, microbiological and theoretical studies

    Energy Technology Data Exchange (ETDEWEB)

    Beheshti, Azizolla, E-mail: a.beheshti@scu.ac.ir [Department of Chemistry, Faculty of Sciences, Shahid Chamran University of Ahvaz, Ahvaz (Iran, Islamic Republic of); Nozarian, Kimia; Babadi, Susan Soleymani; Noorizadeh, Siamak [Department of Chemistry, Faculty of Sciences, Shahid Chamran University of Ahvaz, Ahvaz (Iran, Islamic Republic of); Motamedi, Hossein [Department of Biology, Faculty of Sciences, Shahid Chamran University of Ahvaz, Ahvaz (Iran, Islamic Republic of); Mayer, Peter [LMU München Department Chemie, Butenandtstr 5-13, D-81377 München (Germany); Bruno, Giuseppe [Dipartimento di Chimica Inorganica, Università di Messina, Vill. S. Agata, Salita Sperone 31, 98166 Messina (Italy); Rudbari, Hadi Amiri [Faculty of Chemistry, University of Isfahan, Isfahan 81746-73441 (Iran, Islamic Republic of)

    2017-05-15

    Two new compounds namely [Cu(SCN)(µ-L)]{sub n} (1) and ([Ag (µ{sub 2}-L)](ClO{sub 4})){sub n} (2) have been synthesized at room temperature by one-pot reactions between the 1,1-(1,4-butanediyl)bis(1,3-dihydro-3-methyl-1H-imidazole- 2-thione) (L) and appropriate copper(I) and silver(I) salts. These polymers have been characterized by single crystal X-ray diffraction, XRPD, TGA, elemental analysis, infrared spectroscopy, antibacterial activity and scanning probe microscopy studies. In the crystal structure of 1, copper atoms have a distorted trigonal planar geometry with a CuS{sub 2}N coordination environment. Each of the ligands in the structure of 1 acting as a bidentate S-bridging ligand to form a 1D chain structure. Additionally, the adjacent 1D chains are interconnected by the intermolecular C-H…S interactions to create a 2D network structure. In contrast to 1, in the cationic 3D structure of 2 each of the silver atoms exhibits an AgS{sub 4} tetrahedral geometry with 4-membered Ag{sub 2}S{sub 2} rings. In the structure of 2, the flexible ligand adopts two different conformations; gauche-anti-gauche and anti-anti-anti. The antibacterial studies of these polymers showed that polymer 2 is more potent antibacterial agent than 1. Scanning probe microscopy (SPM) study of the treated bacteria was carried out to investigate the structural changes cause by the interactions between the polymers and target bacteria. Theoretical study of polymer 1 investigated by the DFT calculations indicates that observed transitions at 266 nm and 302 nm in the UV–vis spectrum could be attributed to the π→π* and MLCT transitions, respectively. - Graphical abstract: Two new Cu(I) and Ag(I) coordination polymers have been have been synthesized by one-pot reactions. Copper complex has a 2D non-covalent structure, but silver compound is a 3D coordination compound. These compounds have effective antibacterial activity. - Highlights: • Cu(I) and Ag(I) based coordination polymers

  19. [Binocular coordination during reading].

    Science.gov (United States)

    Bassou, L; Granié, M; Pugh, A K; Morucci, J P

    1992-01-01

    Is there an effect on binocular coordination during reading of oculomotor imbalance (heterophoria, strabismus and inadequate convergence) and of functional lateral characteristics (eye preference and perceptually privileged visual laterality)? Recordings of the binocular eye-movements of ten-year-old children show that oculomotor imbalances occur most often among children whose left visual perceptual channel is privileged, and that these subjects can present optomotor dissociation and manifest lack of motor coordination. Close binocular motor coordination is far from being the norm in reading. The faster reader displays saccades of differing spatial amplitude and the slower reader an oculomotor hyperactivity, especially during fixations. The recording of binocular movements in reading appears to be an excellent means of diagnosing difficulties related to visual laterality and to problems associated with oculomotor imbalance.

  20. Introduction to Coordination Chemistry

    CERN Document Server

    Lawrance, Geoffrey Alan

    2010-01-01

    Introduction to Coordination Chemistry examines and explains how metals and molecules that bind as ligands interact, and the consequences of this assembly process. This book describes the chemical and physical properties and behavior of the complex assemblies that form, and applications that may arise as a result of these properties. Coordination complexes are an important but often hidden part of our world?even part of us?and what they do is probed in this book. This book distills the essence of this topic for undergraduate students and for research scientists.

  1. Quantifying linguistic coordination

    DEFF Research Database (Denmark)

    Fusaroli, Riccardo; Tylén, Kristian

    task (Bahrami et al 2010, Fusaroli et al. 2012) we extend to linguistic coordination dynamical measures of recurrence employed in the analysis of sensorimotor coordination (such as heart-rate (Konvalinka et al 2011), postural sway (Shockley 2005) and eye-movements (Dale, Richardson and Kirkham 2012......). We employ nominal recurrence analysis (Orsucci et al 2005, Dale et al 2011) on the decision-making conversations between the participants. We report strong correlations between various indexes of recurrence and collective performance. We argue this method allows us to quantify the qualities...

  2. Coordinate Standard Measurement Development

    Energy Technology Data Exchange (ETDEWEB)

    Hanshaw, R.A.

    2000-02-18

    A Shelton Precision Interferometer Base, which is used for calibration of coordinate standards, was improved through hardware replacement, software geometry error correction, and reduction of vibration effects. Substantial increases in resolution and reliability, as well as reduction in sampling time, were achieved through hardware replacement; vibration effects were reduced substantially through modification of the machine component dampening and software routines; and the majority of the machine's geometry error was corrected through software geometry error correction. Because of these modifications, the uncertainty of coordinate standards calibrated on this device has been reduced dramatically.

  3. Recursive Advice for Coordination

    DEFF Research Database (Denmark)

    Terepeta, Michal Tomasz; Nielson, Hanne Riis; Nielson, Flemming

    2012-01-01

    Aspect-oriented programming is a programming paradigm that is often praised for the ability to create modular software and separate cross-cutting concerns. Recently aspects have been also considered in the context of coordination languages, offering similar advantages. However, introducing aspect...... systems. Even though primarily used for analysis of recursive programs, we are able to adapt them to fit this new context.......Aspect-oriented programming is a programming paradigm that is often praised for the ability to create modular software and separate cross-cutting concerns. Recently aspects have been also considered in the context of coordination languages, offering similar advantages. However, introducing aspects...

  4. Cantilever torque magnetometry on coordination compounds

    DEFF Research Database (Denmark)

    Perfetti, Mauro

    2017-01-01

    Cantilever Torque Magnetometry (CTM) is one of the leading techniques to deeply understand magnetic anisotropy of coordination compounds. The knowledge of magnetic anisotropy is a mandatory requirement before proceeding with any future application related to the magnetic properties of coordination...... quantum phenomena such as magnetization steps and molecular hysteresis curves. Moreover, it can also provide the energy levels splitting and avefunctions composition, especially if coupled with microwave radiation....... compounds, such as quantum computation or information storage. This review enlightens that CTM offers a unique combination of accuracy and precision to disentangle noncollinear contributions inside Single Crystals as well as the sensitivity to detect molecular order of thin films. CTM can also detect...

  5. Coordination failure caused by sunspots

    DEFF Research Database (Denmark)

    Beugnot, Julie; Gürgüç, Zeynep; Øvlisen, Frederik Roose

    2012-01-01

    on the efficient equilibrium, we consider sunspots as a potential reason for coordination failure. We conduct an experiment with a three player 2x2x2 game in which coordination on the efficient equilibrium is easy and should normally occur. In the control session, we find almost perfect coordination on the payoff......-dominant equilibrium, but in the sunspot treatment, dis-coordination is frequent. Sunspots lead to significant inefficiency, and we conclude that sunspots can indeed cause coordination failure....

  6. Coordination Compounds in Biology

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 6. Coordination Compounds in Biology - The Chemistry of Vitamin B12 and Model Compounds. K Hussian Reddy. General Article Volume 4 Issue 6 June 1999 pp 67-77 ...

  7. Coordination Compounds in Biology

    Indian Academy of Sciences (India)

    Coordination Compounds in Biology equatorial ligand, there are two axial ligands in most B. 12 derivatives. Derivatives of B12. The various derivatives of B. 12 result most commonly from changes in the axial ligands bound to cobalt. Often it is convenient to draw a greatly abbreviated structure for a B. 12 molecule using a ...

  8. Polymeric coordination compounds

    Indian Academy of Sciences (India)

    Administrator

    Metal coordination polymers with one- and two-dimensional structures are of current interest due to their possible relevance to material science 1. In continuation of our previous studies 2,3, several new polymeric compounds are reported here. Among the complexes of silver with aminomethyl pyridine (amp) ...

  9. Coordination of mobile labor

    Czech Academy of Sciences Publication Activity Database

    Steiner, Jakub

    2008-01-01

    Roč. 139, č. 1 (2008), s. 25-46 ISSN 0022-0531 R&D Projects: GA MŠk LC542 Institutional research plan: CEZ:AV0Z70850503 Keywords : coordination * general equilibrium * global games Subject RIV: AH - Economics Impact factor: 1.224, year: 2008

  10. Block coordination copolymers

    Energy Technology Data Exchange (ETDEWEB)

    Koh, Kyoung Moo; Wong-Foy, Antek G.; Matzger, Adam J.; Benin, Annabelle I.; Willis, Richard R.

    2012-12-04

    The present invention provides compositions of crystalline coordination copolymers wherein multiple organic molecules are assembled to produce porous framework materials with layered or core-shell structures. These materials are synthesized by sequential growth techniques such as the seed growth technique. In addition, the invention provides a simple procedure for controlling functionality.

  11. Block coordination copolymers

    Energy Technology Data Exchange (ETDEWEB)

    Koh, Kyoung Moo; Wong-Foy, Antek G; Matzger, Adam J; Benin, Annabelle I; Willis, Richard R

    2014-11-11

    The present invention provides compositions of crystalline coordination copolymers wherein multiple organic molecules are assembled to produce porous framework materials with layered or core-shell structures. These materials are synthesized by sequential growth techniques such as the seed growth technique. In addition, the invention provides a simple procedure for controlling functionality.

  12. Block coordination copolymers

    Energy Technology Data Exchange (ETDEWEB)

    Koh, Kyoung Moo; Wong-Foy, Antek G; Matzger, Adam J; Benin, Annabelle I; Willis, Richard R

    2012-11-13

    The present invention provides compositions of crystalline coordination copolymers wherein multiple organic molecules are assembled to produce porous framework materials with layered or core-shell structures. These materials are synthesized by sequential growth techniques such as the seed growth technique. In addition, the invention provides a simple procedure for controlling functionality.

  13. Reusability of coordination programs

    NARCIS (Netherlands)

    F. Arbab (Farhad); C.L. Blom (Kees); F.J. Burger (Freek); C.T.H. Everaars (Kees)

    1996-01-01

    textabstractIsolating computation and communication concerns into separate pure computation and pure coordination modules enhances modularity, understandability, and reusability of parallel and/or distributed software. This can be achieved by moving communication primitives (such as SendMessage and

  14. [Civilian-military coordination].

    Science.gov (United States)

    de Montravel, G

    2002-01-01

    Current humanitarian emergencies create complex, mutidimensional situations that stimulate simultaneous responses from a wide variety of sources including governments, non-governmental organizations (NGO), United Nations agencies, and private individuals. As a result, it has become essential to establish a coherent framework in which each actor can contribute promptly and effectively to the overall effort. This is the role of the United Nations Office for the Coordination of Humanitarian Affairs. Regardless of the circumstances and level of coordination, cooperation and collaboration between humanitarian and military personnel, it is necessary to bear in mind their objectives. The purpose of humanitarian action is to reduce human suffering. The purpose of military intervention is to stop warfare. The author of this article will discuss the three major obstacles to civilian-military coordination (strategic, tactical, and operational). Operations cannot be conducted smoothly and differences cannot be ironed out without mutual respect between the two parties, an explicit definition of their respective duties and responsibilities, a clear understanding of their cultural differences, and the presence of an organization and facilities for coordination and arbitrage by a neutral referee.

  15. Exploring the aryl esterase catalysis of paraoxonase-1 through solvent kinetic isotope effects and phosphonate-based isosteric analogues of the tetrahedral reaction intermediate.

    Science.gov (United States)

    Bavec, Aljoša; Knez, Damijan; Makovec, Tomaž; Stojan, Jure; Gobec, Stanislav; Goličnik, Marko

    2014-11-01

    Although a recent study of Debord et al. in Biochimie (2014; 97:72-77) described the thermodynamics of the catalysed hydrolysis of phenyl acetate by human paraoxonase-1, the mechanistic details along the reaction route of this enzyme remain unclear. Therefore, we briefly present the solvent kinetic isotope effects on the phenyl acetate esterase activity of paraoxonase-1 and its inhibition with the phenyl methylphosphonate anion, which is a stable isosteric analogue that mimics the high-energy tetrahedral intermediate on the hydroxide-promoted hydrolysis pathway. The data show normal isotope effects, while proton inventory analysis indicates that two protons contribute to the kinetic isotope effect. Coherently, moderate competitive inhibition with the phenyl methylphosphonate anion reveals that the rate-limiting transition state suboptimally resembles the tetrahedral intermediate. The implications of these findings can be attributed to two possible reaction mechanisms that might occur during the paraoxonase-1-catalysed hydrolysis of phenyl acetate. Copyright © 2014 Elsevier B.V. and Société française de biochimie et biologie Moléculaire (SFBBM). All rights reserved.

  16. Multi-phase arrival tracking using tetrahedral cells within a 3D layered titled transversely isotropic anisotropic model involving undulating topography and irregular interfaces

    Science.gov (United States)

    Li, Xing-Wang; Bai, Chao-Ying; Yue, Xiao-Peng; Greenhalgh, Stewart

    2018-02-01

    To overcome a major problem in current ray tracing methods, which are only capable of tracing first arrivals, and occasionally primary reflections (or mode conversions) in regular cell models, we extend in this paper the multistage triangular shortest-path method (SPM) into 3D titled transversely isotropic (TTI) anisotropic media. The proposed method is capable of tracking multi-phase arrivals composed of any kind of combinations of transmissions, mode conversions and reflections. In model parameterization, five elastic parameters, plus two angles defining the titled axis of symmetry of TTI media are sampled at the primary nodes of the tetrahedral cell, and velocity value at secondary node positions are linked by a tri-linear velocity interpolation function to the primary node velocity value of that of a tetrahedral cell, from which the group velocities of the three wave modes (qP, qSV and qSH) are computed. The multistage triangular SPM is used to track multi-phase arrivals. The uniform anisotropic test indicates that the numerical solution agrees well with the analytic solution, thus verifying the accuracy of the methodology. Several simulations and comparison results for heterogeneous models show that the proposed algorithm is able to efficiently and accurately approximate undulating surface topography and irregular subsurface velocity discontinuities. It is suitable for any combination of multi-phase arrival tracking in arbitrary tilt angle TTI media and can accommodate any magnitude of anisotropy.

  17. 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.

  18. Coordination chemistry of technetium

    International Nuclear Information System (INIS)

    Together with development of chemistry of radiopharmaceuticals, coordination chemistry of technetium has recently progressed. The synthetic procedures of technetium complexes have also been established in a various oxidation states. Especially, technetium(V) complexes which possess a Tc=0 or 0=Tc = 0 core are interested from a view point kinetic stability. In the present paper, substitution reaction mechanisms of Tc(V), Tc(IV) and Tc(III) complexes coordinated with a β-diketone as ligand are discussed in connection with the structural chemistry of technetium complexes. The base hydrolysis of halobis(β-diketonato)oxotechnetium(V) and dihalobis (β-diketonato)technetium(IV) complexes liberate halide ion by the attack of hydroxide ion, followed by the liberation of β-diketones. Technetium is found to be pertechnetate as a final product

  19. Coordinating Work with Groupware

    DEFF Research Database (Denmark)

    Pors, Jens Kaaber; Simonsen, Jesper

    2003-01-01

    One important goal of employing groupware is to make possible complex collaboration between geographically distributed groups. This requires a dual transformation of both technology and work practice. The challenge is to re­duce the complexity of the coordination work by successfully inte......­grating the protocol stipulating the collaboration and the ar­te­fact, in form of the groupware application, mediating the col­laboration. This paper analyses a generic groupware application that was deployed in a large financial organisation in order to support working groups distributed throughout four countries....... Using the CSCW frame­work of coordination mechanisms, we have elicited six general factors influencing the integration of the groupware application in two situations....

  20. Improving Project Manufacturing Coordination

    Directory of Open Access Journals (Sweden)

    Korpivaara Ville

    2014-09-01

    Full Text Available The objective of this research is to develop firms’ project manufacturing coordination. The development will be made by centralizing the manufacturing information flows in one system. To be able to centralize information, a deep user need assessment is required. After user needs have been identified, the existing system will be developed to match these needs. The theoretical background is achieved through exploring the literature of project manufacturing, development project success factors and different frameworks and tools for development project execution. The focus of this research is rather in customer need assessment than in system’s technical expertise. To ensure the deep understanding of customer needs this study is executed by action research method. As a result of this research the information system for project manufacturing coordination was developed to respond revealed needs of the stakeholders. The new system improves the quality of the manufacturing information, eliminates waste in manufacturing coordination processes and offers a better visibility to the project manufacturing. Hence it provides a solid base for the further development of project manufacturing.

  1. Universal mechatronics coordinator

    Science.gov (United States)

    Muir, Patrick F.

    1999-11-01

    Mechatronic systems incorporate multiple actuators and sensor which must be properly coordinated to achieve the desired system functionality. Many mechatronic systems are designed as one-of-a-kind custom projects without consideration for facilitating future system or alterations and extensions to the current syste. Thus, subsequent changes to the system are slow, different, and costly. It has become apparent that manufacturing processes, and thus the mechatronics which embody them, need to be agile in order to more quickly and easily respond to changing customer demands or market pressures. To achieve agility, both the hardware and software of the system need to be designed such that the creation of new system and the alteration and extension of current system is fast and easy. This paper describes the design of a Universal Mechatronics Coordinator (UMC) which facilitates agile setup and changeover of coordination software for mechatronic systems. The UMC is capable of sequencing continuous and discrete actions that are programmed as stimulus-response pairs, as state machines, or a combination of the two. It facilitates the modular, reusable programing of continuous actions such as servo control algorithms, data collection code, and safety checking routines; and discrete actions such as reporting achieved states, and turning on/off binary devices. The UMC has been applied to the control of a z- theta assembly robot for the Minifactory project and is applicable to a spectrum of widely differing mechatronic systems.

  2. Coordinating Shared Activities

    Science.gov (United States)

    Clement, Bradley

    2004-01-01

    Shared Activity Coordination (ShAC) is a computer program for planning and scheduling the activities of an autonomous team of interacting spacecraft and exploratory robots. ShAC could also be adapted to such terrestrial uses as helping multiple factory managers work toward competing goals while sharing such common resources as floor space, raw materials, and transports. ShAC iteratively invokes the Continuous Activity Scheduling Planning Execution and Replanning (CASPER) program to replan and propagate changes to other planning programs in an effort to resolve conflicts. A domain-expert specifies which activities and parameters thereof are shared and reports the expected conditions and effects of these activities on the environment. By specifying these conditions and effects differently for each planning program, the domain-expert subprogram defines roles that each spacecraft plays in a coordinated activity. The domain-expert subprogram also specifies which planning program has scheduling control over each shared activity. ShAC enables sharing of information, consensus over the scheduling of collaborative activities, and distributed conflict resolution. As the other planning programs incorporate new goals and alter their schedules in the changing environment, ShAC continually coordinates to respond to unexpected events.

  3. Global coordination: weighted voting

    Directory of Open Access Journals (Sweden)

    Jan-Erik Lane

    2014-03-01

    Full Text Available In order to halt the depletion of global ecological capital, a number of different kinds of meetings between Governments of countries in the world has been scheduled. The need for global coordination of environmental policies has become ever more obvious, supported by more and more evidence of the running down of ecological capital. But there are no formal or binding arrangements in sight, as global environmental coordination suffers from high transaction costs (qualitative voting. The CO2 equivalent emissions, resulting in global warming, are driven by the unstoppable economic expansion in the global market economy, employing mainly fossil fuel generated energy, although at the same time lifting sharply the GDP per capita of several emerging countries. Only global environmental coordination on the successful model of the World Band and the IMF (quantitative voting can stem the rising emissions numbers and stop further environmental degradation. However, the system of weighted voting in the WB and the IMF must be reformed by reducing the excessive voting power disparities, for instance by reducing all member country votes by the cube root expression.

  4. Modular construction of oxide structures--compositional control of transition metal coordination environments.

    Science.gov (United States)

    Tenailleau, Christophe; Allix, Mathieu; Claridge, John B; Hervieu, Maryvonne; Thomas, Michael F; Hirst, James P; Rosseinsky, Matthew J

    2008-06-18

    The effects of reaction temperature and pO2 were investigated on a series of (Ba,Ca,Nd)FeO3-delta perovskite systems in order to isolate phases containing ordered arrangements of the distinct vacancy and cation ordering patterns identified in less compositionally complex iron oxide systems. Initial synthesis in air at high temperature yields cubic perovskite phases (I) with average iron oxidation states higher than 3; selected area electron diffraction together with diffuse features observed in the synchrotron X-ray diffraction (SXRD) patterns of these materials show evidence of small domains of short-range cation and vacancy order. Annealing these materials in nitrogen or in a sealed tube in the presence of an NiO/Ni buffer yielded the Fe(3+) phase Ca2Ba2Nd2Fe6O16 (II), closely related to Sr2LaFe3O8 but with partial cation order as well as anion order present the larger Ba cations are largely present in the 12-coordinate site between the octahedral iron layers, and Ca is largely present in 10-coordinate sites between octahedral and tetrahedral sites. Further reduction of Ca2Ba2Nd2Fe6O16 using a Zr getter yields the mixed-valence phase Ca2Ba2Nd2Fe6O15.6 (III). The structure of III was solved by maximum entropy analysis of XRD data coupled with analysis of high-temperature neutron diffraction data and refined against combined SXRD and high-Q ambient-temperature neutron data. This material crystallizes in a 20-fold perovskite super cell (Imma, a approximately square root(2 x a(p), b approximately 10 x a(p), c approximately square root(x 2a(p)) and can be visualized as an intergrowth between brownmillerite (Ca2Fe2O5) and the YBa2Fe3O8 structure. There are three distinct iron coordination environments, octahedral (O), square-pyramidal (Sp), and trigonal planar (Tp, formed by distorting the tetrahedral site in brownmillerite), which form a Sp-O-Tp-O-Sp repeat. Bond valence calculations indicate that Tp is an Fe(2+) site, while the O and Sp sites are Fe(3+). The A

  5. Symmetric two-coordinate photodiode

    Directory of Open Access Journals (Sweden)

    Dobrovolskiy Yu. G.

    2008-12-01

    Full Text Available The two-coordinate photodiode is developed and explored on the longitudinal photoeffect, which allows to get the coordinate descriptions symmetric on the steepness and longitudinal resistance great exactness. It was shown, that the best type of the coordinate description is observed in the case of scanning by the optical probe on the central part of the photosensitive element. The ways of improvement of steepness and linear of its coordinate description were analyzed.

  6. Isolation of a hexanuclear chromium cluster with a tetrahedral hydridic core and its catalytic behavior for ethylene oligomerization.

    Science.gov (United States)

    Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia; Murugesu, Muralee; Le Roy, Jennifer J H; Budzelaar, Peter H M

    2014-06-16

    A chromium complex [2-(NHCH2PPh2)C5H4N]CrCl3·THF2 (1) of the ligand PyNHCH2PPh2 has been synthesized, characterized, and examined for its catalytic behavior toward ethylene oligomerization. When complex 1 was treated with (i-Bu)3Al, an unprecedented divalent polyhydride chromium cluster μ,κ(1),κ(2),κ(3)-N,N,P-{[2-(NCH2PPh2)C5H4N]Cr(μ-H)}4[(μ-Cl)Cr(μ-Cl)Al(i-Bu)2Cl]2 (2) was obtained. The complex contains a Cr4H4 core, which is expected to be diamagnetic, and which remains coordinated to two additional divalent high-spin Cr atoms via bridging interactions. Two aluminate residues remain bonded to the peripheral chromium atoms. The structure, magnetism, and electronic configuration are herein discussed.

  7. Work Coordination Engine

    Science.gov (United States)

    Zendejas, Silvino; Bui, Tung; Bui, Bach; Malhotra, Shantanu; Chen, Fannie; Kim, Rachel; Allen, Christopher; Luong, Ivy; Chang, George; Sadaqathulla, Syed

    2009-01-01

    The Work Coordination Engine (WCE) is a Java application integrated into the Service Management Database (SMDB), which coordinates the dispatching and monitoring of a work order system. WCE de-queues work orders from SMDB and orchestrates the dispatching of work to a registered set of software worker applications distributed over a set of local, or remote, heterogeneous computing systems. WCE monitors the execution of work orders once dispatched, and accepts the results of the work order by storing to the SMDB persistent store. The software leverages the use of a relational database, Java Messaging System (JMS), and Web Services using Simple Object Access Protocol (SOAP) technologies to implement an efficient work-order dispatching mechanism capable of coordinating the work of multiple computer servers on various platforms working concurrently on different, or similar, types of data or algorithmic processing. Existing (legacy) applications can be wrapped with a proxy object so that no changes to the application are needed to make them available for integration into the work order system as "workers." WCE automatically reschedules work orders that fail to be executed by one server to a different server if available. From initiation to completion, the system manages the execution state of work orders and workers via a well-defined set of events, states, and actions. It allows for configurable work-order execution timeouts by work-order type. This innovation eliminates a current processing bottleneck by providing a highly scalable, distributed work-order system used to quickly generate products needed by the Deep Space Network (DSN) to support space flight operations. WCE is driven by asynchronous messages delivered via JMS indicating the availability of new work or workers. It runs completely unattended in support of the lights-out operations concept in the DSN.

  8. Anion effect on the retention of recoil atom of coordination crystalline compounds

    International Nuclear Information System (INIS)

    Dimotakis, P.N.; Papadopoulos, B.P.

    1980-01-01

    The anion effect of various cobaltic crystalline compounds - having the same cation and differing in anion -on the retention of neutron activated central cobalt atom has been studied. The cation was trans-dichloro(bis)ethylenediamine cobalt(III) and the anions were simple spherical anions (Cl - , Br - , I - ), planar anions (NO 3 - ), trigonal pyramidal anions (ClO 3 - , BrO 3 - ), tetrahedral anions (SO 4 2- , CrO 4 2- , MnO 4 - ) and linear anions (SCN - ). The cobalt-60 activity after reactor irradiation either in simple Co 2+ cation or in cobaltic complex cation determined the retention values. In all irradiations at ordinary temperature and at liquid nitrogen temperature the results showed an effect of the different anions, depending on the geometry, volume and charge, on the recombination of the recoil cobalt with the ligands in the coordination sphere. (author)

  9. Cobalt Coordination and Clustering in α-Co(OH)2 Revealed by Synchrotron X-ray Total Scattering

    International Nuclear Information System (INIS)

    Neilson, James R.; Kurzman, Joshua A.; Seshadri, Ram; Morse, Daniel E.

    2010-01-01

    Structures of layered metal hydroxides are not well described by traditional crystallography. Total scattering from a synthesis-controlled subset of these materials, as described here, reveals that different cobalt coordination polyhedra cluster within each layer on short length scales, offering new insights and approaches for understanding the properties of these and related layered materials. Structures related to that of brucite (Mg(OH) 2 ) are ubiquitous in the mineral world and offer a variety of useful functions ranging from catalysis and ion-exchange to sequestration and energy transduction, including applications in batteries. However, it has been difficult to resolve the atomic structure of these layered compounds because interlayer disorder disrupts the long-range periodicity necessary for diffraction-based structure determination. For this reason, traditional unit-cell-based descriptions have remained inaccurate. Here we apply, for the first time to such layered hydroxides, synchrotron X-ray total scattering methods - analyzing both the Bragg and diffuse components - to resolve the intralayer structure of three different α-cobalt hydroxides, revealing the nature and distribution of metal site coordination. The different compounds with incorporated chloride ions have been prepared with kinetic control of hydrolysis to yield different ratios of octahedrally and tetrahedrally coordinated cobalt ions within the layers, as confirmed by total scattering. Real-space analyses indicate local clustering of polyhedra within the layers, manifested in the weighted average of different ordered phases with fixed fractions of tetrahedrally coordinated cobalt sites. These results, hidden from an averaged unit-cell description, reveal new structural characteristics that are essential to understanding the origin of fundamental material properties such as color, anion exchange capacity, and magnetic behavior. Our results also provide further insights into the detailed

  10. Kinetic Control of Intralayer Cobalt Coordination in Layered Hydroxides: CoxoctCoxtet(OH)2(Cl)x(H2O)n

    International Nuclear Information System (INIS)

    Neilson, James R.; Schwenzer, Birgit; Seshadri, Ram; Morse, Daniel E.

    2009-01-01

    We report the synthesis and characterization of new structural variants of the isotypic compound with the generic chemical formula, Co 1-0.5x oct Co x tet (OH) 2 (Cl) x (H 2 O) n , all modifications of an α-Co(OH) 2 lattice. We show that the occupancy of tetrahedrally coordinated cobalt sites and associated chloride ligands, x, is modulated by the rate of formation of the respective layered hydroxide salts from kinetically controlled aqueous hydrolysis at an air-water interface. This new level of structural control is uniquely enabled by the slow diffusion of a hydrolytic catalyst, a simple technique. Independent structural characterizations of the compounds separately describe various attributes of the materials on different length scales, revealing details hidden by the disordered average structures. The precise control over the population of distinct octahedrally and tetrahedrally coordinated cobalt ions in the lattice provides a gentle, generic method for modulating the coordination geometry of cobalt in the material without disturbing the lattice or using additional reagents. A mechanism is proposed to reconcile the observation of the kinetic control of the structure with competing interactions during the initial stages of hydrolysis and condensation.

  11. Coordination Environments of Highly Charged Cations (Ti, Cr, and Light REE's) in Borosilicate Glass/Melts to 1120C

    Energy Technology Data Exchange (ETDEWEB)

    Farges, Francois; /Museum Natl. Hist. Natur. /Stanford U., Geo. Environ. Sci.; Brown, Gordon E., Jr.; /Stanford U., Geo. Environ Sci. /SLAC, SSRL

    2007-01-02

    The local environments around Ti, Cr, and several light rare-earth elements (La, Ce, and Nd) were investigated by in-situ XANES spectroscopy in a number of complex borosilicate glasses and melts (to 1120 C) that are used for nuclear waste storage. Examination of the high-resolution XANES spectra at the Ti K-edge shows that the average coordination of Ti changes from {approx}5 to {approx}4.5. Cr is dominantly trivalent in the melts studied. However, its average coordination is probably lower in the melt (tetrahedral ?) as revealed by the more intense Cr-K pre-edge feature. Ce also changes its average valence from dominantly +4 to +3.5 upon glass melting. These changes are reversible at T{sub g}, the glass transition temperature ({approx}500-550 C for these glasses). In contrast, the local environments of Nd, Pr, and La are unaffected by melting. Therefore, structural reorganization of these borosilicate glass/melts above T{sub g} is variable, not only in terms of valence (as for Ce) but also speciation (Ti and Cr). Both the ability of B to adopt various coordination geometries (triangular and tetrahedral) and the chemical complexity of the glass/melts explain these changes.

  12. Effect of tetrahedral DNA nanostructures on proliferation and osteo/odontogenic differentiation of dental pulp stem cells via activation of the notch signaling pathway.

    Science.gov (United States)

    Zhou, Mi; Liu, Nan-Xin; Shi, Si-Rong; Li, Yong; Zhang, Qi; Ma, Quan-Quan; Tian, Tao-Ran; Ma, Wen-Juan; Cai, Xiao-Xiao; Lin, Yun-Feng

    2018-02-17

    Dental pulp stem cells (DPSCs) derived from the human dental pulp tissue have multiple differentiation capabilities, such as osteo/odontogenic differentiation. Therefore, DPSCs are deemed as ideal stem cell sources for tissue regeneration. As new nanomaterials based on DNA, tetrahedral DNA nanostructures (TDNs) have tremendous potential for biomedical applications. Here, the authors aimed to explore the part played by TDNs in proliferation and osteo/odontogenic differentiation of DPSCs, and attempted to investigate if these cellular responses could be driven by activating the canonical Notch signaling pathway. Upon exposure to TDNs, proliferation and osteo/odontogenic differentiation of DPSCs were dramatically enhanced, accompanied by up regulation of Notch signaling. In general, our study suggested that TDNs can significantly promote proliferation and osteo/odontogenic differentiation of DPSCs, and this remarkable discovery can be applied in tissue engineering and regenerative medicine to develop a significant and novel method for bone and dental tissue regeneration. Copyright © 2018. Published by Elsevier Inc.

  13. Magnetization plateau as a result of the uniform and gradual electron doping in a coupled spin-electron double-tetrahedral chain

    Science.gov (United States)

    Gálisová, Lucia

    2017-11-01

    The double-tetrahedral chain in a longitudinal magnetic field, whose nodal lattice sites occupied by the localized Ising spins regularly alternate with triangular plaquettes with the dynamics described by the Hubbard model, is rigorously investigated. It is demonstrated that the uniform change of electron concentration controlled by the chemical potential in a combination with the competition between model parameters and the external magnetic field leads to the formation of one chiral and seven nonchiral phases at the absolute zero temperature. Rational plateaux at one-third and one-half of the saturation magnetization can also be identified in the low-temperature magnetization curves. On the other hand, the gradual electron doping results in 11 different ground-state regions that distinguish from each other by the evolution of the electron distribution during this process. Several doping-dependent magnetization plateaux are observed in the magnetization process as a result of the continuous change of electron content in the model.

  14. 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.

  15. Modeling of the self-organization processes in crystal-forming systems. Tetrahedral metal clusters and the self-assembly of crystal structures of intermetallic compounds

    Science.gov (United States)

    Ilyushin, G. D.

    2017-09-01

    A combinatorial and topological modeling of 1D, 2D, and 3D packings of symmetrically linked A4 tetrahedra has been performed. Three types of 1D chains with tetrahedra connectivities of 4, 6, and 8 were used to model 2D layers L-1, L-2, and L-3 and 3D frameworks FR-1, FR-2, FR-3, and FR-4. A family of tetrahedral structures with FR-1, FR-2, and FR-3 frameworks has been selected among the intermetallic compounds with chemical compositions of A 3 B, A 2 B 2, AB 3, A 2 BC, AB 2 C, and ABCD; this family includes more than 1900 compounds (TOPOS program package). It is found that the topological models of tetrahedral 3D frameworks are in correspondence with all types of the crystal structures formed in Au-Cu binary systems (FR-1 for Cu3Au (auricupride), Cu2Au2 (tetraauricupride), and CuAu3 (bogdanovite)), in the Mg-Cd system (FR-3 for Mg3Cd, Mg2Cd2, and MgCd3), in the Li-Hg system (FR-2 for Li3Hg and Li2Hg2 and FR-3 for LiHg3), in the Li-Ag-Al ternary system (FR-2 for LiAg2Al and Li2AgAl), and in the Li-Mg-Pd-Sn quaternary system (FR-2 for LiMgPdSn). Framework FR-4 has been established in ternary intermetallic compounds A(Li2Sn2); A = Cu, Ag, Au.

  16. Coordinating Group report

    International Nuclear Information System (INIS)

    1994-01-01

    In December 1992, western governors and four federal agencies established a Federal Advisory Committee to Develop On-site Innovative Technologies for Environmental Restoration and Waste Management (the DOIT Committee). The purpose of the Committee is to advise the federal government on ways to improve waste cleanup technology development and the cleanup of federal sites in the West. The Committee directed in January 1993 that information be collected from a wide range of potential stakeholders and that innovative technology candidate projects be identified, organized, set in motion, and evaluated to test new partnerships, regulatory approaches, and technologies which will lead to improve site cleanup. Five working groups were organized, one to develop broad project selection and evaluation criteria and four to focus on specific contaminant problems. A Coordinating Group comprised of working group spokesmen and federal and state representatives, was set up to plan and organize the routine functioning of these working groups. The working groups were charged with defining particular contaminant problems; identifying shortcomings in technology development, stakeholder involvement, regulatory review, and commercialization which impede the resolution of these problems; and identifying candidate sites or technologies which could serve as regional innovative demonstration projects to test new approaches to overcome the shortcomings. This report from the Coordinating Group to the DOIT Committee highlights the key findings and opportunities uncovered by these fact-finding working groups. It provides a basis from which recommendations from the DOIT Committee to the federal government can be made. It also includes observations from two public roundtables, one on commercialization and another on regulatory and institutional barriers impeding technology development and cleanup

  17. Synthesis, characterization and magnetism of metal-organic compounds: role of the positions of the coordinating groups of a meso-flexible ligand in placing anisotropy to exhibit spin-canting behaviour.

    Science.gov (United States)

    Manna, Paulami; Tripuramallu, Bharat Kumar; Bommakanti, Suresh; Das, Samar K

    2015-02-14

    In continuation of our recent investigation on flexible ligands, three new metal-organic coordination framework containing compounds, formulated as {Co(2)(L2)2(px3ampy)(2)}(n)·npx3ampy (1), {Co(L2)(px3ampy)(0.5)}(n) (2) and {Co(2)(L3) (px3ampy)(2)(H(2)O)}(n)·3nH(2)O (3) have been synthesized using three structurally different meso-flexible polycarboxylate ligands, H(2)L1(4,4'-methylenebis-(oxy)dibenzoic acid), H(2)L2 (3,3'-methylenebis-(oxy)dibenzoic acid) and H(4)L3 (5,5'-methylene-bis(oxy)diisophthalic acid) bearing the flexible spacer in the middle of the skeleton, along with a long flexible pyridyl ligand px3ampy (1,4-bis(3-pyridylaminomethyl)benzene). Compounds 1-3 have been characterized by single crystal X-ray diffraction analysis, IR spectroscopy and thermogravimetric (TG) studies including elemental analysis. The crystal structure determinations reveal that compound 1 has a 1D ladder-like structure and compounds 2and 3 are characterized by 3D frameworks. Compound 2 possesses a tiling of a snz net and compound 3 has a 3D interpenetrated motif with a (4,4) connecting 2-nodal net. The variable temperature magnetic susceptibility measurements demonstrate the dominating antiferromagnetic nature of all three title compounds; interestingly, however, compounds 2 and 3 exhibit ferromagnetic interactions due to the uncompensated magnetic moment of the system at low temperatures. Compound 2 illustrates the occurrence of spin canted antiferromagnetic ordering at T(c) ≈ 25 K with a coercive field (H(c)) of 900 Oe at 10 K due to the inclusion of magnetic anisotropy caused by the twisting of the concerned ligand skeleton. Compound shows comparatively weak ferromagnetic ordering with T(c) ≈ 9.5 K, for which weak magnetic anisotropy is present because of two different coordination environments (octahedral and tetrahedral) between two cobalt centers. A structure-function relationship has been described based on the position of the coordinating groups with respect to

  18. Developmental coordination disorder - literature review

    OpenAIRE

    Kosová, Blanka

    2015-01-01

    Title: Developmental coordination disorder - literature review Objectives: The theoretical part talks about developmental coordination disorder, its diagnosis, investigations, etiology and division during the different ages of the child. The practical part compares the studies relating to atypical development of motor skills in children with developmental coordination disorder. In diploma thesis was often used shortcut CKP and DCD, depending on the source from which it was drawn. DCD is the E...

  19. Synchronization matters for motor coordination.

    Science.gov (United States)

    Pesce Ibarra, Luigi S

    2018-03-01

    Using electroencephalography and electromyography recordings from healthy participants during a visual-depended bimanual coordination task, de Vries and colleagues showed that functional synchronization is important in motor coordination. The authors reported that higher coordination correlated positively with intermuscular synchrony, but correlated negatively with corticomuscular synchrony. They proposed that these two diverse motor systems operate differently depending on task demands. Similar experimental paradigms could identify motor mechanisms in patients with neurological disorders to design novel rehabilitation strategies.

  20. Pull Promotions and Channel Coordination

    OpenAIRE

    Eitan Gerstner; James D. Hess

    1995-01-01

    This paper recommends that manufacturers consider a pull price promotion as a coordination device in an independent channel of distribution. Uncoordinated decisions of both manufacturer and retailer to charge high prices can break down the effort to expand the market, resulting in losses to the channel as a whole. We show that manufacturers can enhance channel price coordination by designing pull price discounts that target price-conscious consumers. The increased price coordination improves ...

  1. Non covalent assembly of coordination superstructures

    CERN Document Server

    Khlobystov, A N

    2002-01-01

    The main topic of this work is the design of discrete and polymeric multi-component coordination structures using non-covalent interactions between organic and inorganic molecular components. All of the structures described herein are based on transition metal cations and N-donor heterocyclic bis-exodentate ligands with different geometries and various spacer functionalities. The predominant method used for the structural characterisation of the complexes was single crystal X-ray crystallography. X-ray powder diffraction, IR and NMR spectroscopies and TEM and AFM imaging were used to characterise the bulk products from the reactions. Chapter 1 is a comparative review of non-covalent interactions relevant to coordination superstructures and covers the latest developments in the area of crystal engineering and supramolecular chemistry. The nature, geometry and relative energy of the non-covalent interactions are considered in detail in order to reveal their influence on the structure and properties of complexes...

  2. Flexoelectricity via coordinate transformations

    Science.gov (United States)

    Stengel, Massimiliano

    2014-03-01

    Flexoelectricity describes the electric polarization that is linearly induced by a strain gradient, and is being intensely investigated as a tantalizing new route to converting mechanical stimulation into electrical signals and vice versa. While several breakthough experiments have been reported in the past few years, progress on the theoretical front has been comparatively slow, especially in the context of first-principles electronic-structure theory. The main difficulty with calculating the flexoelectric response of a material is the inherent breakdown of translational periodicity that a strain gradient entails, which at first sight questions the very applicability of traditional plane-wave pseudopotential methods. In this talk I will show how these obstacles can be overcome by combining density-functional perturbation theory with generalized coordinate transformations, gaining access to the full microscopic response (in terms of electronic charge density, polarization and atomic displacements) of a crystal or nanostructure to an arbitrary deformation field. As a practical demonstration, I will present results on the full flexoelectric response of a SrTiO3 film, including atomic relaxations and surface effects.

  3. Drug policy coordination: identifying and assessing dimensions of coordination.

    Science.gov (United States)

    Hughes, Caitlin Elizabeth; Ritter, Alison; Mabbitt, Nicholas

    2013-05-01

    Coordination has been recognised as a critical ingredient for successful drug policy governance. Yet what coordination means and how we assess the processes, outputs and outcomes of drug policy coordination is seldom defined. In this article we explore the utility of internationally recognised principles of good governance for examining aspects of drug policy coordination. We describe the development of an assessment tool, and pilot it in one context that has been both praised and criticised for its approach to drug policy coordination: Australia. Eight good governance principles of the United Nations Economic and Social Commission for Asia and the Pacific (which specify the need for policy processes to be participatory, responsive, equitable etc.), were adapted to drug policy coordination. A pilot survey was created to enable assessment of their perceived importance and perceived application and administered to 36 stakeholders from peak Australian advisory bodies. The instrument was shown to have high internal reliability and high face validity. Application to the Australian context suggested that the eight principles differed in importance, and that the most important principles were 'accountability' and 'participation'. Application also revealed perceived strengths and weaknesses in coordination, most notably, an apparent need to increase 'accountability' for stakeholder actions. The instrument requires further assessment of reliability and validity. Yet, at least within the Australian context, it starts to unpack normative statements about coordination to show perceptions of what coordination is, areas where improvement may be warranted and the degree of contestation amongst different players. Further application of the good governance lens within this and other contexts will progress the assessment of a fundamental yet neglected policy process and foster a more nuanced consideration of the possibilities for coordination in the drug policy "soup". Copyright

  4. Coordination of Conditional Poisson Samples

    Directory of Open Access Journals (Sweden)

    Grafström Anton

    2015-12-01

    Full Text Available Sample coordination seeks to maximize or to minimize the overlap of two or more samples. The former is known as positive coordination, and the latter as negative coordination. Positive coordination is mainly used for estimation purposes and to reduce data collection costs. Negative coordination is mainly performed to diminish the response burden of the sampled units. Poisson sampling design with permanent random numbers provides an optimum coordination degree of two or more samples. The size of a Poisson sample is, however, random. Conditional Poisson (CP sampling is a modification of the classical Poisson sampling that produces a fixed-size πps sample. We introduce two methods to coordinate Conditional Poisson samples over time or simultaneously. The first one uses permanent random numbers and the list-sequential implementation of CP sampling. The second method uses a CP sample in the first selection and provides an approximate one in the second selection because the prescribed inclusion probabilities are not respected exactly. The methods are evaluated using the size of the expected sample overlap, and are compared with their competitors using Monte Carlo simulation. The new methods provide a good coordination degree of two samples, close to the performance of Poisson sampling with permanent random numbers.

  5. Coordinate-Free Rotation Operator.

    Science.gov (United States)

    Leubner, C.

    1979-01-01

    Suggests the use of a coordinate-free rotation operator for the teaching of rotations in Euclidean three space because of its twofold didactic advantage. Illustrates the potentialities of the coordinate-free rotation operator approach by a number of examples. (Author/GA)

  6. Introduction to coordinated linear systems

    NARCIS (Netherlands)

    Kempker, P.L.

    2014-01-01

    This chapter serves as an introduction to the concepts of coordinated linear systems, in formal as well as intuitive terms. The concept of a coordinated linear system is introduced and formulated, and some basic properties are derived, providing both a motivaton and a formal basis for the following

  7. Transformation optics in orthogonal coordinates

    OpenAIRE

    Chen, Huanyang

    2008-01-01

    The author proposes the methodology of transformation optics in orthogonal coordinates to obtain the material parameters of the transformation media from the mapping in orthogonal coordinates. Several examples are given to show the applications of such a methodology by using the full-wave simulations.

  8. Bare coordination: the semantic shift

    NARCIS (Netherlands)

    de Swart, Henriette|info:eu-repo/dai/nl/074764187; Le Bruyn, Bert|info:eu-repo/dai/nl/30484912X

    2014-01-01

    This paper develops an analysis of the syntax-semantics interface of two types of split coordination structures. In the first type, two bare singular count nouns appear as arguments in a coordinated structure, as in bride and groom were happy. We call this the N&N construction. In the second type,

  9. Increased coordination in public transport – which mechanisms are available?

    DEFF Research Database (Denmark)

    Sørensen, Claus Hedegaard; Longva, Frode

    2011-01-01

    and suggested to increase coordination between core stakeholders within passenger railway services and bus services. Four distinctive mechanisms of coordination are suggested, namely organisational coordination, contractual coordination, partnership coordination and discursive coordination. Each coordination...

  10. Archimedes' principle in general coordinates

    International Nuclear Information System (INIS)

    Ridgely, Charles T

    2010-01-01

    Archimedes' principle is well known to state that a body submerged in a fluid is buoyed up by a force equal to the weight of the fluid displaced by the body. Herein, Archimedes' principle is derived from first principles by using conservation of the stress-energy-momentum tensor in general coordinates. The resulting expression for the force is applied in Schwarzschild coordinates and in rotating coordinates. Using Schwarzschild coordinates for the case of a spherical mass suspended within a perfect fluid leads to the familiar expression of Archimedes' principle. Using rotating coordinates produces an expression for a centrifugal buoyancy force that agrees with accepted theory. It is then argued that Archimedes' principle ought to be applicable to non-gravitational phenomena, as well. Conservation of the energy-momentum tensor is then applied to electromagnetic phenomena. It is shown that a charged body submerged in a charged medium experiences a buoyancy force in accordance with an electromagnetic analogue of Archimedes' principle.

  11. Archimedes' principle in general coordinates

    Science.gov (United States)

    Ridgely, Charles T.

    2010-05-01

    Archimedes' principle is well known to state that a body submerged in a fluid is buoyed up by a force equal to the weight of the fluid displaced by the body. Herein, Archimedes' principle is derived from first principles by using conservation of the stress-energy-momentum tensor in general coordinates. The resulting expression for the force is applied in Schwarzschild coordinates and in rotating coordinates. Using Schwarzschild coordinates for the case of a spherical mass suspended within a perfect fluid leads to the familiar expression of Archimedes' principle. Using rotating coordinates produces an expression for a centrifugal buoyancy force that agrees with accepted theory. It is then argued that Archimedes' principle ought to be applicable to non-gravitational phenomena, as well. Conservation of the energy-momentum tensor is then applied to electromagnetic phenomena. It is shown that a charged body submerged in a charged medium experiences a buoyancy force in accordance with an electromagnetic analogue of Archimedes' principle.

  12. Enterprise Coordination on the Internet

    Directory of Open Access Journals (Sweden)

    Charles Petrie

    2011-02-01

    Full Text Available Enterprises are now connected internally and externally to other Enterprises via the Internet in ways that are increasingly difficult to manage, especially as these interconnections become more dynamic. Current methods of coordinating the effects of change as they propagate through these networks of connections are not likely to scale. What is needed is a new paradigm for how the Internet supports such coordination. Indeed, the Internet should and could provide fundamental coordination functions that are missing today. In this paper, we describe how such a “Coordinated Internet” would work (this paper is an expanded version of [1]. The key functionality of a Coordinated Internet would be that the Internet actively watches what people do (analogous to search completion on desktops today, correlates these activities, and actively notifies people when and how their current tasks affect and are affected by the activities of other people. This would be accomplished by standard coordination functions implemented as a common Internet layer that can be used as a utility by more specialized applications. Such a Coordinated Internet would revolutionize enterprise management, for all enterprises, large and small, corporate and personal. For example, static workflows would become obsolete for all but the the most routine processes. Some solutions provide existence proofs of such a coordination substrate, such as the Redux solution in concurrent engineering, which we describe herein. However, foundational research remains to be done in the new field of Coordination Engineering in order to reach the goal of a future Internet in which coordination functions are fundamental.

  13. Coordination and control inside simple biomolecular machines.

    Science.gov (United States)

    Yu, Jin

    2014-01-01

    Biomolecular machines can achieve physiological functions precisely and efficiently, though they always operate under fluctuations and noises. We review two types of simple machinery that we have recently studied. The machinery can be regarded as molecular motors. They transform chemical free energy from NTP hydrolysis to mechanical work. One type belongs to small monomeric helicases that move directionally along single-stranded nucleic acid, and may further unwind the duplex part for gene replication or repair. The other type belongs to ring-shaped NTPase motors that also move or transport nucleic acid or protein substrate in a directional manner, such as for genome packaging or protein degradation. The central issue in this review is on how the machinery coordinates essential degrees of freedom during the mechanochemical coupling process. Further concerns include how the coordination and control are manifested in experiments, and how they can be captured well in modeling and computational research. We employed atomistic molecular dynamics simulations, coarse-grained analyses, and stochastic modeling techniques to examine the molecular machines at multiple resolutions and timescales. Detailed descriptions on how the protein interacts with its substrate at interface, as well as how multiple protein subunits are coordinated are summarized.

  14. Keep Meaning in Conversational Coordination

    Directory of Open Access Journals (Sweden)

    Elena Clare Cuffari

    2014-12-01

    Full Text Available Coordination is a widely employed term across recent quantitative and qualitative approaches to intersubjectivity, particularly approaches that give embodiment and enaction central explanatory roles. With a focus on linguistic and bodily coordination in conversational contexts, I review the operational meaning of coordination in recent empirical research and related theorizing of embodied intersubjectivity. This discussion articulates what must be involved in treating linguistic meaning as dynamic processes of coordination. The coordination approach presents languaging as a set of dynamic self-organizing processes and actions on multiple timescales and across multiple modalities that come about and work in certain domains (those jointly constructed in social, interactive, high-order sense-making. These processes go beyond meaning at the level that is available to first-person experience. I take one crucial consequence of this to be the ubiquitously moral nature of languaging with others. Languaging coordinates experience, among other levels of behavior and event. Ethical effort is called for by the automatic autonomy-influencing forces of languaging as coordination.

  15. 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 (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.

  16. DNA Tetrahedral Nanostructure-Based Electrochemical miRNA Biosensor for Simultaneous Detection of Multiple miRNAs in Pancreatic Carcinoma.

    Science.gov (United States)

    Zeng, Dongdong; Wang, Zehua; Meng, Zhiqiang; Wang, Peng; San, Lili; Wang, Wei; Aldalbahi, Ali; Li, Li; Shen, Juwen; Mi, Xianqiang

    2017-07-19

    Specific and sensitive biomarker detection is essential to early cancer diagnosis. In this study, we demonstrate an ultrasensitive electrochemical biosensor with the ability to detect multiple pancreatic carcinoma (PC)-related microRNA biomarkers. By employing DNA tetrahedral nanostructure capture probes to enhance the detection sensitivity as well as a disposable 16-channel screen-printed gold electrode (SPGE) detection platform to enhance the detection efficiency, we were able to simultaneously detect four PC-related miRNAs: miRNA21, miRNA155, miRNA196a, and miRNA210. The detection sensitivity reached to as low as 10 fM. We then profiled the serum levels of the four miRNAs for PC patients and healthy individuals with our multiplexing electrochemical biosensor. Through the combined analyses of the four miRNAs, our results showed that PC patients could be discriminated from healthy controls with fairly high sensitivity. This multiplexing PCR-free miRNA detection sensor shows promising applications in early diagnosis of PC disease.

  17. Porous coordination polymer with flexibility imparted by coordinatively changeable lithium ions on the pore surface.

    Science.gov (United States)

    Xie, Lin-Hua; Lin, Jian-Bin; Liu, Xiao-Min; Wang, Yu; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming

    2010-02-01

    Solvothermal reactions of equimolar zinc acetate, lithium acetate, and 1,3,5-benzenetricarboxylic acid (H(3)btc) in different mixed solvents yielded isostructural three-dimensional frameworks [LiZn(btc)(cG)].lG [cG and lG denote coordinated and lattice guests, respectively; cG = (nmp)(0.5)(H(2)O)(0.5), lG = (EtOH)(0.5) (1a); cG = H(2)O, lG = EtOH (1b); nmp = N-methyl-2-pyrrolidone] with one-dimensional channels occupied by guest molecules and solvent-coordinated, extrusive Li(+) ions. Thermogravimetry analyses and powder X-ray diffraction measurements revealed that both 1a and 1b can lose all lattice and coordinated guests to form a desolvated phase [LiZn(btc)] (MCF-27, 1) and almost retains the original framework structure. Gas adsorption measurements on 1 confirmed its permanent porosity but suggested a structural transformation from 1a/1b to 1. It is noteworthy that only 1a can undergo a single-crystal to single-crystal (SCSC) transformation into 1 upon desolvation. The crystal structure of 1 revealed that the Li(+) ions were retracted into the channel walls via complementary coordination to the carboxylate oxygen atoms in the framework rather than being exposed on the pore surface. Single-crystal X-ray diffraction analyses were also performed for N(2)- and CO(2)-loaded samples of 1, revealing that the framework remained unchanged when the gases were adsorbed. Although the gas molecules could not be modeled, the residue electrons inside the channels demonstrated that the retracted Li(+) ions still behave as the primary interacting site for CO(2) molecules. Nevertheless, solvent molecules such as H(2)O can readily compete with the framework oxygen atom to retrieve the extrusive Li(+) ions, accompanying the reverse structural transformation, i.e., from 1 to 1a/1b.

  18. Workshop for Coordinators/Assistants/Alternate Coordinators of IAEA Projects

    International Nuclear Information System (INIS)

    2009-01-01

    The objectives of the workshop was to discuss the roles and responsibilities of IAEA projects co-coordinators and the challenges they encounter in the implementation of such projects. Solutions were suggested.(Lead Record)

  19. Coordinating distributed work : Exploring situated coordination with gaming-simulation

    NARCIS (Netherlands)

    van Laere, J.

    2003-01-01

    Organizational work has become more and more distributed nowadays. Information and communication technologies (ICT) provide opportunities to improve coordination of distributed work, but in practice many organizations struggle with integrating new organizational structures, new work practices and

  20. Coordinate Mastering Using Optical Coupling

    Science.gov (United States)

    Bieman, Leonard H.

    1989-01-01

    For a multi-sensor machine vision system, relating each sensor's measurement to a master gage coordinate system has been a difficult task. This is especially true for sheet metal gaging in the automotive industry where sensors may be separated by four or five meters. The current approach used to establish this master coordinate system, which is difficult at best, has been the following. First, the part is placed in the gage. The exact location, that is being measured by each sensor, is marked on the part. Then the marked part is transported to a coordinate measuring machine (CMM), where the location of each of the marked points is measured. These CMM measurements establish a master coordinate system. The procedure just described has major drawbacks including: the accuracy of marking the exact location being measured; the sensors orientation must be known with respect to the master coordinate system; and deformation of the sheet metal part when it is transported to the CMM. The mastering process can be significantly improved by optical coupling a theodolite pair with each machine vision sensor. This optical coupling is established by locating a target in a position that can be accurately measured by both a sensor and the theodolite system. First, the theodolite system is calibrated in gage coordinates by sighting on reference points placed on the machine vision gage. Then, for each sensor, the target location is measured by both the sensor and theodolite pair at three or more positions (or alternately one target may have three or more points that can be measured). From this data, the transforms from sensor coordinates to gage coordinates can be calculated. This report will present the configuration and calculations for coordinate mastering using optical coupling.

  1. Modelación en coordenadas de fase del transformador monofásico con derivación central en el secundario; Modeling in phase-coordinates of the single-phase transformer with center tap in the secondary winding

    Directory of Open Access Journals (Sweden)

    Ignacio - Pérez Abril

    2013-10-01

    Full Text Available Existe un modelo en la literatura para representar el transformador monofásico con derivación central en el secundario. No obstante, dicho modelo representa toda la impedancia del transformador en el secundario, lo que difiere de la realidad. La distribución de la impedancia del transformador entre el primario y ambas secciones del secundario tiene una gran influencia en la magnitud de la corriente de cortocircuito de una fase a la derivación central del secundario. Esta corriente supera ampliamente la corriente de cortocircuito de fase a fase en transformadores con devanados entrelazados. El presente trabajo desarrolla el modelo en coordenadas de fase del transformador monofásico con derivación central en el secundario. El modelo desarrollado se prueba con varios ejemplos que demuestran la conveniencia de emplear el modelo presentado para analizar la carga desigual de ambas secciones del devanado secundario o el cortocircuito de una fase a la derivación central del secundario.There exists a model in the literature to representing the single-phase transformer with center tap in the secondary winding. However, this model represents all the impedance of the transformer in the secondary winding, which differs from practice. The distribution of the impedance between primary and the both sections of the secondary winding has a great influence over the magnitude of the short circuit current from a phase to the center tap. This current is much greater than the phase to phase short circuit current in transformers with interlaced windings. The present paper develops a model in phase coordinates for the single-phase transformer with center tap in the secondary winding. The developed model is tested with several examples that shown the convenience of the use of the presented model to analyze the unequal load in both sections of the secondary or the short circuit from a phase to the center tap of the secondary.

  2. Evaluating the Relational Coordination instrument

    DEFF Research Database (Denmark)

    Edwards, Kasper; Lundstrøm, Sanne Lykke

    2014-01-01

    and surgical performance. This has prompted the attention of both practitioners and politicians some of who perceive relational coordination as a means to attain better performance. The relational coordination instrument has been validated as a measure of teamwork from the following perspectives: internal...... consistency, interrater agreement and reliability, structural validity, content validity. However as relational coordination is being used as a diagnostics tool it is important to examine further if the instrument can measure changes. Indeed we need to know how precise and sensitive the instrument is when...

  3. Towards Coordination and Control of Multi-robot Systems

    DEFF Research Database (Denmark)

    Quottrup, Michael Melholt

    This thesis focuses on control and coordination of mobile multi-robot systems (MRS). MRS can often deal with tasks that are difficult to be accomplished by a single robot. One of the challenges is the need to control, coordinate and synchronize the operation of several robots to perform some...... specified task. This calls for new strategies and methods which allow the desired system behavior to be specified in a formal and succinct way. Two different frameworks for the coordination and control of MRS have been investigated. Framework I - A network of robots is modeled as a network of multi......-modal hybrid automata. The notion of bisimulations is used to abstract robots in the network. The result is a network of interacting timed automata which allows coordination among the robots and timing constraints to be considered. The model checker UPPAAL is used for formal symbolic model checking against...

  4. Construction of Six Coordination Polymers Based on a 5,5′-(1,2-Ethynyl)bis-1,3-benzenedicarboxylic Ligand: Synthesis, Structure, Gas Sorption, and Magnetic Properties

    KAUST Repository

    Zheng, Bing

    2013-03-06

    Six novel coordination polymers based on a multifunctional ligand, 5,5\\'-(1,2-ethynyl)bis-1,3-benzenedicarboxylic (H4EBDC), namely, |(C3H7NO)2(H2O)7(C 2H5OH)3| [Zn2(C18H 6O8)(C10H8N2) 2] (1), |(C3H7NO)3(H2O)30- (CH3CN)2|[Zn 6(C18H6O8)3(C 6H12N2O2)2] (2), |(C 3H7NO)2- (H2O)2(H 3O)2|[Cd3(C18H6O 8)2] (3), |(C3H7NO)|[Mn- (C 18H8O8)(C3H7NO) 2] (4), |(C3H7NO)2(H2O)(C 2H7N)3| [Mn6(C18H 7O8)4(H2O)8] (5), and [Mn2(C18H6O8)(C3H 7NO)2] (6), have been constructed under solvothermal conditions and structurally characterized by single-crystal X-ray diffraction. In these compounds, the ligand, H4EBDC, exhibits different coordination modes and conformations, constructing various architectures by bridging a variety of metal ions or polynuclear clusters. Compound 1 forms a three-dimensional (3D) FSC network constructed from two-dimensional (2D) layer motifs joined by EBDC4- and 4,4\\'-bipyridine bridges. Compound 2 possesses an NbO topology by linking Zn2(CO2)4 units with the ligand, coordinated amine molecules fill the pores, while compound 3 exhibits a 3D FLU network with Cd2+ as the cation and features an infinite framework built from tricadmium clusters. Compound 4 is based on PtS net, constructed of 4-connected rectangular H4EBDC units with tetrahedral monometallic Mn(CO2)4 nodes. Compound 5 is composed of 2D layers with (3,6)-connected KGD topology, and compound 6 consists of a 3D PtS-X network, built by bridging a metal chain with the ligand. The structures of these compounds have been discussed together with their corresponding properties, such as gas storage, separation, and magnetic properties. © 2013 American Chemical Society.

  5. Cr1/3Zr2P3O12 with unusual tetrahedral coordination of Cr(III): peculiarities of the formation, thermal stability and application as a pigment

    Czech Academy of Sciences Publication Activity Database

    Gorodylova, N.; Kosinová, V.; Šulcová, P.; Bělina, P.; Vlček, Milan

    2014-01-01

    Roč. 43, č. 41 (2014), s. 15439-15449 ISSN 1477-9226 Institutional support: RVO:61389013 Keywords : magnetic properties * crystal structure * cation distibution Subject RIV: CA - Inorganic Chemistry Impact factor: 4.197, year: 2014

  6. Coordinating a successful discharge plan.

    Science.gov (United States)

    Hester, L E

    1996-06-01

    Whether you're working with a team or serving as liaison to a specially designated home care coordinator, your role is crucial in paving the way home for your patient. Here are the essential steps to take.

  7. Who matters in coordination problems?

    Czech Academy of Sciences Publication Activity Database

    Sákovics, J.; Steiner, Jakub

    2012-01-01

    Roč. 102, č. 7 (2012), s. 3439-3461 ISSN 0002-8282 Institutional support: RVO:67985998 Keywords : coordination problem s * heterogeneous agents Subject RIV: AH - Economics Impact factor: 2.792, year: 2012

  8. Coordination theory and collaboration technology

    CERN Document Server

    Olson, Gary M; Smith, John B

    2001-01-01

    The National Science Foundation funded the first Coordination Theory and Collaboration Technology initiative to look at systems that support collaborations in business and elsewhere. This book explores the global revolution in human interconnectedness. It will discuss the various collaborative workgroups and their use in technology. The initiative focuses on processes of coordination and cooperation among autonomous units in human systems, in computer and communication systems, and in hybrid organizations of both systems. This initiative is motivated by three scientific issues which have been

  9. Muscle Activation and Movement Coordination.

    OpenAIRE

    Ljung, Carl

    2014-01-01

    The purpose of this project was to empirically develop a method of using electromyography to identify how humans coordinate their muscles during certain sequences of movement and the effect of an injured anterior cruciate ligament to muscle coordination. In this study, more simple movements of the lower extremities are examined and relatively accurate hypothesizes can be made solely based on anatomical theory. However, a general method for electromyographic studies would open up the possibili...

  10. DEVELOPMENTAL COORDINATION DISORDER IN CHILDREN

    OpenAIRE

    Saeideh MIRAFKHAMI; Seyyed Hossein FAKHRAEE; Sina MIRAFKHAMI; Mojtaba YOUSEFI; Mona VARZANDEH FAR

    2010-01-01

    ObjectiveIn this article, a motor skill disorder called developmental coordination disorder (DCD), that is usually first diagnosed during childhood, is explained and discussed. In the year 1987, DCD was formally recognized as a distinct disorder in children by the American Psychiatric Association  (APA). DCD is a generalized term for the children who have some degrees of impairment in the development of motor coordination and therefore have difficulties with physical skills which significantl...

  11. Path integrals in curvilinear coordinates

    International Nuclear Information System (INIS)

    Prokhorov, L.V.

    1984-01-01

    Integration limits are studied for presenting the path integral curvilinear coordinates. For spherical (and topoloqically equivalent) coordinates it is shown that in formulas involving classical action in the exponent integration over all variables should be carried out within infinite limits. Another peculiarity is associated with appearance of the operator q which provides a complete definition of the wave functions out of the physical region. arguments are given upporting the validity of the cited statament in the general case

  12. Temporal coordination between performing musicians.

    Science.gov (United States)

    Loehr, Janeen D; Palmer, Caroline

    2011-11-01

    Many common behaviours require people to coordinate the timing of their actions with the timing of others' actions. We examined whether representations of musicians' actions are activated in coperformers with whom they must coordinate their actions in time and whether coperformers simulate each other's actions using their own motor systems during temporal coordination. Pianists performed right-hand melodies along with simple or complex left-hand accompaniments produced by themselves or by another pianist. Individual performers' preferred performance rates were measured in solo performance of the right-hand melody. The complexity of the left-hand accompaniment influenced the temporal grouping structure of the right-hand melody in the same way when it was performed by the self or by the duet partner, providing some support for the action corepresentation hypothesis. In contrast, accompaniment complexity had little influence on temporal coordination measures (asynchronies and cross-correlations between parts). Temporal coordination measures were influenced by a priori similarities between partners' preferred rates; partners who had similar preferred rates in solo performance were better synchronized and showed mutual adaptation to each other's timing during duet performances. These findings extend previous findings of action corepresentation and action simulation to a task that requires precise temporal coordination of independent yet simultaneous actions.

  13. Hamiltonian Cycles on a Random Three-coordinate Lattice

    DEFF Research Database (Denmark)

    Eynard, B.; Guitter, E.; Kristjansen, C.

    1998-01-01

    Consider a random three-coordinate lattice of spherical topology having 2v vertices and being densely covered by a single closed, self-avoiding walk, i.e. being equipped with a Hamiltonian cycle. We determine the number of such objects as a function of v. Furthermore we express the partition...

  14. Managing interteam coordination within and between organizations

    NARCIS (Netherlands)

    de Vries, Thomas Arend

    2015-01-01

    To accomplish complex tasks and effectively respond to environmental contingencies, teams must coordinate task-related issues with other teams (i.e., interteam coordination). Regrettably, interteam coordination is often complicated by misunderstandings that can arise from differences in teams’

  15. Coordination diversity of new mononucleating hydrazone in 3d metal complexes: Synthesis, characterization and structural studies

    Directory of Open Access Journals (Sweden)

    RAJESH S. BALIGAR

    2006-12-01

    Full Text Available The mononucleating hydrazone ligand LH3, a condensation product of salicyloylhydrazine and (2-formylphenoxyacetic acid, was synthesized and its coordination behavior with first row transition metal(II ions was investigated by isolating and elucidating the structure of the complexes using elemental analysis, conductivity and magnetic susceptibility measurements, as well as IR, 1H-NMR, electronic and EPR spectral techniques. The ligand forms mononuclear metal(II complexes of the type [CoLH(H2O2], [NiLH(H2O2, [CuLH] and [ZnLH]. The ligand field parameters, Dq, B and b values, in the case of the cobalt and nickel complexes support not only the octahedral geometry around the metal ion, but also imply the covalent nature of the bonding in the complexes. The EPR study revealed the presence of a spin exchange interaction in the solid copper complex and the covalent nature of the bonding. The 1H-NMR study of the zinc(II complex indicated the non-involvement of the COOH group in the coordination. The physico-chemical study supports for the presence of octahedral geometry around cobalt(II, nickel(II and tetrahedral geometry around copper(II and zinc(II ions.

  16. Motor coordination uses external spatial coordinates independent of developmental vision.

    Science.gov (United States)

    Heed, Tobias; Röder, Brigitte

    2014-07-01

    The constraints that guide bimanual movement coordination are informative about the processing principles underlying movement planning in humans. For example, symmetry relative to the body midline benefits finger and hand movements independent of hand posture. This symmetry constraint has been interpreted to indicate that movement coordination is guided by a perceptual code. Although it has been assumed implicitly that the perceptual system at the heart of this constraint is vision, this relationship has not been tested. Here, congenitally blind and sighted participants made symmetrical and non-symmetrical (that is, parallel) bimanual tapping and finger oscillation movements. For both groups, symmetrical movements were executed more correctly than parallel movements, independent of anatomical constraints like finger homology and hand posture. For the blind, the reliance on external spatial factors in movement coordination stands in stark contrast to their use of an anatomical reference frame in perceptual processing. Thus, the externally coded symmetry constraint evident in bimanual coordination can develop in the absence of the visual system, suggesting that the visual system is not critical for the establishment of an external-spatial reference frame in movement coordination. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. Caught in the Act: The 1.5 Å Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate

    Energy Technology Data Exchange (ETDEWEB)

    Kovalevsky, Andrey Y.; Chumanevich, Alexander A.; Liu, Fengling; Louis, John M.; Weber, Irene T. (GSU)

    2008-03-21

    HIV-1 protease (PR) is the target for several important antiviral drugs used in AIDS therapy. The drugs bind inside the active site cavity of PR where normally the viral polyprotein substrate is bound and hydrolyzed. We report two high-resolution crystal structures of wild-type PR (PR{sub WT}) and the multi-drug-resistant variant with the I54V mutation (PR{sub I54V}) in complex with a peptide at 1.46 and 1.50 {angstrom} resolution, respectively. The peptide forms a gem-diol tetrahedral reaction intermediate (TI) in the crystal structures. Distinctive interactions are observed for the TI binding in the active site cavity of PR{sub WT} and PR{sub I54V}. The mutant PR{sub I54V}/TI complex has lost water-mediated hydrogen bond interactions with the amides of Ile50 and Ile50{prime} in the flap. Hence, the structures provide insight into the mechanism of drug resistance arising from this mutation. The structures also illustrate an intermediate state in the hydrolysis reaction. One of the gem-diol hydroxide groups in the PR{sub WT} complex forms a very short (2.3 {angstrom}) hydrogen bond with the outer carboxylate oxygen of Asp25. Quantum chemical calculations based on this TI structure are consistent with protonation of the inner carboxylate oxygen of Asp25{prime}, in contrast to several theoretical studies. These TI complexes and quantum calculations are discussed in relation to the chemical mechanism of the peptide bond hydrolysis catalyzed by PR.

  18. Evaluation of a nitrogen-incorporated tetrahedral amorphous carbon thin film for the detection of tryptophan and tyrosine using flow injection analysis with amperometric detection.

    Science.gov (United States)

    Jarošová, Romana; Rutherford, Joy; Swain, Greg M

    2016-10-17

    We report on the analytical performance of a tetrahedral amorphous carbon (ta-C:N) thin-film electrode in flow injection analysis with amperometric detection. Two model redox analytes were used to evaluate the electrode response because of their positive detection potentials and propensity (i.e., reaction products) to adsorb and foul sp 2 carbon electrodes: tyrosine and tryptophan. ta-C:N electrodes are attractive for electroanalytical applications because they possesses many of the excellent properties of boron-doped nanocrystalline diamond (BDD) and they can be deposited at or near room temperature. The results show that the ta-C:N electrode exhibits lower background current and noise than glassy carbon (GC). The electrode was stable microstructurally at the positive potentials used for detection, ∼1.1 V, of these two amino acids and it exhibited superior analytical detection figures of merit as compared to GC and as good or superior to BDD. The linear dynamic range for both analytes at ta-C:N was from 0.1 to 100 μmol L -1 , the sensitivity was 8-12 mA L mol -1 , the short-term response variability was 1-2%, and the minimum detectable concentration was 89.7 ± 0.9 nM (18.3 μg L -1 or 0.46 ng) for tryptophan and 120 ± 11 nM (21.7 μg L -1 or 0.54 ng) for tyrosine. The analytical detection figures of merit for these amino acids at GC and BDD are also presented for comparison as is characterization data for the chemical composition and microstructure of the ta-C:N film.

  19. A comparison of mechanical properties of three MEMS materials - silicon carbide, ultrananocrystalline diamond, and hydrogen-free tetrahedral amorphous carbon (Ta-C)

    Energy Technology Data Exchange (ETDEWEB)

    Carlisle, John A. (Argonne National Laboratory, Argonne, IL); Moldovan, N. (Northwestern University, Evanston, IL); Xiao, Xingcheng (Argonne National Laboratory, Argonne, IL); Zorman, C. A. (Case Western Reserve University, Cleveland, OH); Mancini, D. C. (Argonne National Laboratory, Argonne, IL); Peng, B. (Northwestern University, Evanston, IL); Espinosa, H. D. (Northwestern University, Evanston, IL); Friedmann, Thomas Aquinas; Auciello, Orlando, (Argonne National Laboratory, Argonne, IL)

    2004-06-01

    Many MEMS devices are based on polysilicon because of the current availability of surface micromachining technology. However, polysilicon is not the best choice for devices where extensive sliding and/or thermal fields are applied due to its chemical, mechanical and tribological properties. In this work, we investigated the mechanical properties of three new materials for MEMS/NEMS devices: silicon carbide (SiC) from Case Western Reserve University (CWRU), ultrananocrystalline diamond (UNCD) from Argonne National Laboratory (ANL), and hydrogen-free tetrahedral amorphous carbon (ta-C) from Sandia National Laboratories (SNL). Young's modulus, characteristic strength, fracture toughness, and theoretical strength were measured for these three materials using only one testing methodology - the Membrane Deflection Experiment (MDE) developed at Northwestern University. The measured values of Young's modulus were 430GPa, 960GPa, and 800GPa for SiC, UNCD, and ta-C, repectively. Fracture toughness measurments resulted in values of 3.2, 4.5, and 6.2 MPa x m{sup 1/2}, respectively. The strengths were found to follow a Weibull distribution but their scaling was found to be controlled by different specimen size parameters. Therefore, a cross comparison of the strengths is not fully meaningful. We instead propose to compare their theoretical strengths as determined by employing Novozhilov fracture criterion. The estimated theoretical strength for SiC is 10.6GPa at a characteristic length of 58nm, for UNCD is 18.6GPa at a characteristic length of 37nm, and for ta-C is 25.4GPa at a characteristic length of 38nm. The techniques used to obtained these results as well as microscopic fractographic analyses are summarized in the article. We also highlight the importance of characterizing mechanical properties of MEMS materials by means of only one simple and accurate experimental technique.

  20. Adaptive protection coordination scheme for distribution network with distributed generation using ABC

    Directory of Open Access Journals (Sweden)

    A.M. Ibrahim

    2016-09-01

    Full Text Available This paper presents an adaptive protection coordination scheme for optimal coordination of DOCRs in interconnected power networks with the impact of DG, the used coordination technique is the Artificial Bee Colony (ABC. The scheme adapts to system changes; new relays settings are obtained as generation-level or system-topology changes. The developed adaptive scheme is applied on the IEEE 30-bus test system for both single- and multi-DG existence where results are shown and discussed.

  1. Optimal Coordinated Strategy Analysis for the Procurement Logistics of a Steel Group

    Directory of Open Access Journals (Sweden)

    Lianbo Deng

    2014-01-01

    Full Text Available This paper focuses on the optimization of an internal coordinated procurement logistics system in a steel group and the decision on the coordinated procurement strategy by minimizing the logistics costs. Considering the coordinated procurement strategy and the procurement logistics costs, the aim of the optimization model was to maximize the degree of quality satisfaction and to minimize the procurement logistics costs. The model was transformed into a single-objective model and solved using a simulated annealing algorithm. In the algorithm, the supplier of each subsidiary was selected according to the evaluation result for independent procurement. Finally, the effect of different parameters on the coordinated procurement strategy was analysed. The results showed that the coordinated strategy can clearly save procurement costs; that the strategy appears to be more cooperative when the quality requirement is not stricter; and that the coordinated costs have a strong effect on the coordinated procurement strategy.

  2. Werner coordination chemistry and neurodegeneration.

    Science.gov (United States)

    Telpoukhovskaia, Maria A; Orvig, Chris

    2013-02-21

    Neurodegenerative diseases are capturing the world's attention as being the next set of diseases we must tackle collectively. Not only are the patients experiencing gradual cognitive and physical decline in most cases, but these diseases are fatal with no prevention currently available. As these diseases are progressive, providing care and symptom treatment for the ageing population is becoming both a medical and a financial challenge. This review discusses how Werner coordination chemistry plays a role in three diseases - those of Alzheimer's, Parkinson's, and prions. Metal ions are considered to be involved in these diseases in part via their propensity to cause toxic aggregation of proteins. First, the coordination of metal ions, with emphasis on copper(II), to metalloproteins that are hallmarks of these diseases - amyloid β, α-synuclein, and prion, respectively - will be discussed. We will present the current understanding of the metal coordination environments created by the amino acids of these proteins, as well as metal binding affinity. Second, a diverse set of examples of rationally designed metal chelators to outcompete this deleterious binding will be examined based on coordination mode and affinity toward bio-relevant metal ions. Overall, this review will give a general overview of protein and metal chelator coordination environments in neurodegenerative diseases.

  3. Federal interagency radiation policy coordination

    International Nuclear Information System (INIS)

    Young, A.L.

    1984-01-01

    The author discusses Federal interagency radiation policy coordination. The Committee on Interagency Radiation Research and Policy Coordination (CIRRPC) is explained as being dedicated to the success and forward motion of enhanced radiation research and policy coordination. Both CIRRPC and the Science Panel are staffed with Federal employees. Their expertise includes many and various radiation disciplines including cytogenetics, dosimetry, epidemiology, genetics, health physics, nuclear medicine, radiology, radiation carcinogenesis, and risk assessment. Ten scientific and technical issues in their preliminary order are presented: radioepidemiological tables; de minimis radiation levels; radon progeny health effects; occupational exposure registry; measurement, recording, and control of radiation; food irradiation; use of radiation in science, industry, and medicine; nonionizing radiation; and remedial actions

  4. High-pressure transformation of SiO₂ glass from a tetrahedral to an octahedral network: a joint approach using neutron diffraction and molecular dynamics.

    Science.gov (United States)

    Zeidler, Anita; Wezka, Kamil; Rowlands, Ruth F; Whittaker, Dean A J; Salmon, Philip S; Polidori, Annalisa; Drewitt, James W E; Klotz, Stefan; Fischer, Henry E; Wilding, Martin C; Bull, Craig L; Tucker, Matthew G; Wilson, Mark

    2014-09-26

    A combination of in situ high-pressure neutron diffraction at pressures up to 17.5(5) GPa and molecular dynamics simulations employing a many-body interatomic potential model is used to investigate the structure of cold-compressed silica glass. The simulations give a good account of the neutron diffraction results and of existing x-ray diffraction results at pressures up to ~60  GPa. On the basis of the molecular dynamics results, an atomistic model for densification is proposed in which rings are "zipped" by a pairing of five- and/or sixfold coordinated Si sites. The model gives an accurate description for the dependence of the mean primitive ring size ⟨n⟩ on the mean Si-O coordination number, thereby linking a parameter that is sensitive to ordering on multiple length scales to a readily measurable parameter that describes the local coordination environment.

  5. An argument for VP coordination: scene-setting coordination and ...

    African Journals Online (AJOL)

    This article demonstrates the properties of this curious construction type and proposes the first analysis to date. It is argued that this is an instance of VP coordination and that this configuration allows the possibility of high merger of direct objects in a constrained fashion. Southern African Linguistics and Applied Language ...

  6. A coordination language for databases

    DEFF Research Database (Denmark)

    Li, Ximeng; Wu, Xi; Lluch Lafuente, Alberto

    2017-01-01

    We present a coordination language for the modeling of distributed database applications. The language, baptized Klaim-DB, borrows the concepts of localities and nets of the coordination language Klaim but re-incarnates the tuple spaces of Klaim as databases. It provides high-level abstractions...... in the semantics. The use of the language is illustrated in a scenario where the sales from different branches of a chain of department stores are aggregated from their local databases. Raising the abstraction level and encapsulating integrity checks in the language primitives have benefited the modeling task...

  7. Coordination Processes in International Organisations

    DEFF Research Database (Denmark)

    Nedergaard, Peter

    2008-01-01

    -à-vis their principals, the Member States. The Commission is the leading agent in the phase leading up to the Conference; the Presidency then takes over. On the one hand, due to the Treaty obligations and their interpretations by the Court of Justice, both the Presidency and the Commission are kept within tight limits...... by the principals. On the other hand, both before and during the Conference, the Member States accept the so-called discursive coordination of the Commission, which seems to be of great (but often neglected) importance. Owing to the organisational set-up in which coordination takes place, the EU is able...

  8. Secure alignment of coordinate systems using quantum correlation

    Science.gov (United States)

    Rezazadeh, F.; Mani, A.; Karimipour, V.

    2017-08-01

    We show that two parties far apart can use shared entangled states and classical communication to align their coordinate systems with a very high fidelity. Moreover, compared with previous methods proposed for such a task, i.e., sending parallel or antiparallel pairs or groups of spin states, our method has the extra advantages of using single-qubit measurements and also being secure, so that third parties do not extract any information about the aligned coordinate system established between the two parties. The latter property is important in many other quantum information protocols in which measurements inevitably play a significant role.

  9. The Convex Coordinates of the Symmedian Point

    Science.gov (United States)

    Boyd, J. N.; Raychowdhury, P. N.

    2006-01-01

    In this note, we recall the convex (or barycentric) coordinates of the points of a closed triangular region. We relate the convex and trilinear coordinates of the interior points of the triangular region. We use the relationship between convex and trilinear coordinates to calculate the convex coordinates of the symmedian point of the triangular…

  10. Template-directed supramolecular self-assembly of coordination dumbbells at surfaces.

    Science.gov (United States)

    Lin, Nian; Langner, Alexander; Tait, Steven L; Rajadurai, Chandrasekar; Ruben, Mario; Kern, Klaus

    2007-12-14

    Scanning tunneling microscopy reveals, at single-molecular resolution, how external parameters--substrate morphology and guest addition--re-direct the assembly of dumbbell-shaped coordination supramolecules towards different surface-confined supramolecular organizations.

  11. Possibility of extending space-time coordinates

    International Nuclear Information System (INIS)

    Wang Yongcheng.

    1993-11-01

    It has been shown that one coordinate system can describe a whole space-time region except some supersurfaces on which there are coordinate singularities. The conditions of extending a coordinate from real field to complex field are studied. It has been shown that many-valued coordinate transformations may help us to extend space-time regions and many-valued metric functions may make one coordinate region to describe more than one space-time regions. (author). 11 refs

  12. Haptic feedback helps bipedal coordination

    NARCIS (Netherlands)

    Roelofsen, E.G.J.; Bosga, J.; Rosenbaum, D.A.; Nijhuis-Van der Sanden, M.W.G.; Hullegie, W.A.M.; Cingel, R.E. van; Meulenbroek, R.G.J.

    2016-01-01

    The present study investigated whether special haptic or visual feedback would facilitate the coordination of in-phase, cyclical feet movements of different amplitudes. Seventeen healthy participants sat with their feet on sliding panels that were moved externally over the same or different

  13. Collective coordinates on symplectic manifolds

    International Nuclear Information System (INIS)

    Razumov, A.V.; Taranov, A.Yu.

    1981-01-01

    For an arbitrary Lie group of canonical transformations on a symplectic manifold collective coordinates are introduced. They describe a motion of the dynamical system as a whole under the group transformations. Some properties of Lie group of canonical transformations are considered [ru

  14. Archimedes' Principle in General Coordinates

    Science.gov (United States)

    Ridgely, Charles T.

    2010-01-01

    Archimedes' principle is well known to state that a body submerged in a fluid is buoyed up by a force equal to the weight of the fluid displaced by the body. Herein, Archimedes' principle is derived from first principles by using conservation of the stress-energy-momentum tensor in general coordinates. The resulting expression for the force is…

  15. Reversibility in dynamic coordination problems

    Czech Academy of Sciences Publication Activity Database

    Kováč, Eugen; Steiner, Jakub

    -, č. 374 (2008), s. 1-50 ISSN 1211-3298 R&D Projects: GA MŠk LC542 Institutional research plan: CEZ:AV0Z70850503 Keywords : dynamic coordination problems * global games * Laplacian belief Subject RIV: AH - Economics http://www.cerge-ei.cz/pdf/wp/Wp374.pdf

  16. Co-ordinated Classroom Lectures.

    Science.gov (United States)

    Harmon, Darell Boyd

    From a series of lectures, a selection of eight are oriented principally toward the biologically developing child, and the physiological operations in visual process. The numbered lectures are--(1) The Coordinated Classroom, its Philosophy and Principles, (2) An Outline of a Biological Point of View, (3) The Evolution of Structure--despite man's…

  17. On the Principle of Coordination

    NARCIS (Netherlands)

    M.C.W. Janssen (Maarten)

    2001-01-01

    textabstractOn many occasions, individuals are able to coordinate their actions. The first empirical evidence to this effect has been described by Schelling (1960) in an informal experiment. His results were corroborated many years later by Mehta et al. (1994a,b) and Bacharach and Bernasconi (1997).

  18. Coordination in a mobile world

    Czech Academy of Sciences Publication Activity Database

    Steiner, Jakub

    -, č. 295 (2006), s. 1-35 ISSN 1211-3298 R&D Projects: GA MŠk LC542 Institutional research plan: CEZ:AV0Z70850503 Keywords : coordination * equilibrium uniqueness * global games Subject RIV: AH - Economics http://www.cerge-ei.cz/pdf/wp/Wp295.pdf

  19. Coordinated Home Care Training Manual.

    Science.gov (United States)

    Michigan Univ., Ann Arbor. Home Care Training Center.

    This manual is intended as a source of information and assistance in the planning, organization, implementation, and evaluation of home care programs. There are ten major sections: (1) Introduction (review of the history of home care and definition of pertinent terms), (2) Program Planning, (3) Organizational Structure, (4) Coordination and…

  20. Synchronous coordination of distributed omponents

    NARCIS (Netherlands)

    Proença, José

    2011-01-01

    This work contributes to the field of coordination, in particular to Reo, by improving existing approaches to execute synchronisation models in three major ways. First, this work supports decoupled execution and lightweight reconfiguration. We developed a prototype Dreams engine to test our

  1. Coordination Chemistry of Linear Oligopyrrolic Fragments Inspired by Heme Metabolites

    Science.gov (United States)

    Gautam, Ritika

    at 635 nm. This reaction also explains the antioxidant properties of the linear tripyrrin-1,14-dione ligand, which acts as a scavenger of O2•-. In Chapter 4, the zinc binding properties of the tripyrrin-1,14-dione ligand are described. The tripyrrolic ligand coordinates as a dianionic ligand with the divalent Zn(II) ion in both organic and aqueous buffered conditions. The complex formed is highly fluorescent with a long wavelength emission band at 648 nm. The X-Ray crystallography analysis indicates the existence of dinuclear complex [Zn(TD1•)(H2O)]2, featuring a distorted square planar geometry around the Zn(II) center. In Chapter 5, the coordination chemistry of the dipyrrin-1,9-dione fragment of propentdyopent ligand is shown with a series of transition metals like (e.g., Co(II), Ni(II), Cu(II) and Zn(II)), which form homoleptic tetrahedral complexes. The spectroscopic and electrochemical characterization confirms that the complexes shows ligand-based redox chemistry and acts as reservoirs for unpaired electrons. Chapter 6 describes the formation of the fluorescent BODIPY complex of propentdyopent ligand. The dipyrrin-1,9-dione scaffold of heme metabolite propendyopent undergoes a one-pot reaction with borontrifluoride etherate in toluene to form a green fluorescent [(pdp)BF2] complex. Spectroscopic studies reveal that the meso-unsubstituted [(pdp)BF2] complex is stable in tetrahydrofuran and has a quantum yield of 0.13. Electrochemical studies confirm that the complex undergoes ligand-based reduction and acts as a host for an unpaired electron.

  2. Coordination chemistry and reactivity of zinc complexes supported by a phosphido pincer ligand.

    Science.gov (United States)

    D'Auria, Ilaria; Lamberti, Marina; Mazzeo, Mina; Milione, Stefano; Roviello, Giuseppina; Pellecchia, Claudio

    2012-02-20

    The preparation and characterization of new Zn(II) complexes of the type [(PPP)ZnR] in which R = Et (1) or N(SiMe(3))(2) (2) and PPP is a tridentate monoanionic phosphido ligand (PPP-H = bis(2-diphenylphosphinophenyl)phosphine) are reported. Reaction of ZnEt(2) and Zn[N(SiMe(3))(2)](2) with one equivalent of proligand PPP-H produced the corresponding tetrahedral zinc ethyl (1) and zinc amido (2) complexes in high yield. Homoleptic (PPP)(2) Zn complex 3 was obtained by reaction of the precursors with two equivalents of the proligand. Structural characterization of 1-3 was achieved by multinuclear NMR spectroscopy ((1)H, (13)C, and (31)P) and X-ray crystallography (3). Variable-temperature (1)H and (31)P NMR studies highlighted marked flexibility of the phosphido pincer ligand in coordination at the metal center. A DFT calculation on the compounds provided theoretical support for this behavior. The activities of 1 and 2 toward the ring-opening polymerization of ε-caprolactone and of L- and rac-lactide were investigated, also in combination with an alcohol as external chain-transfer agent. Polyesters with controlled molecular parameters (M(n), end groups) and low polydispersities were obtained. A DFT study on ring-opening polymerization promoted by these complexes highlighted the importance of the coordinative flexibility of the ancillary ligand to promote monomer coordination at the reactive zinc center. Preliminary investigations showed the ability of these complexes to promote copolymerization of L-lactide and ε-caprolactone to achieve random copolymers whose microstructure reproduces the composition of the monomer feed. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Self-assembly of mixed-valence Co(II/III) and Ni(II) clusters: azide-bridged 1D single chain coordination polymers comprised of tetranuclear units, tetranuclear Co(II/III) complexes, ferromagnetically coupled azide-bridged tetranuclear, and hexanuclear Ni(II) complexes: synthesis, structural, and magnetic properties.

    Science.gov (United States)

    Tandon, Santokh S; Bunge, Scott D; Rakosi, Robert; Xu, Zhiqiang; Thompson, Laurence K

    2009-09-07

    One-pot reactions between 2,6-diformyl-4-methylphenol (DFMP) and 2-aminoethanol (AE) in the presence of cobalt(II) salts [Co(ClO4)2, CoCl2, Co(CH3CO2)2, Co(NO3)2] and sodium azide result in the self-assembly of novel one-dimensional single chain mixed-valence cobalt coordination polymers {[Co2(II)Co2(III) (HL)2(OCH3)2(N3)3]ClO(4).5H2O.CH3OH}n (1), {[Co2(II)Co2(III) (HL)2(OCH3)2(N3)3]Cl.H2O}n (2) in which tetra-cobalt cationic units are bridged by symmetrical 1,3-azides, forming single chains; mixed valence neutral tetranuclear clusters [Co2(II)Co2(III) (HL)2(OCH3)2(N3)4]CH3OH.2H2O (3), [Co2(II)Co2(III)(HL)2(OCH3)2(N3)2(CH3CO2)2].2CH3OH.2H2O (4), and the cationic cluster [Co2(II) Co2(III) (HL)2(OCH3)2(CH3OH)2(N3)2](NO3)2 (5). In all these reactions, H3L, the potentially pentadentate (N2O3), trianionic double Schiff base ligand 2,6-bis[(2-hydroxy-ethylimino)-methyl]-4-methylphenol is formed. The reaction between DFMP and AE in the presence of nickel(ii) salts and sodium azide in methanol-water mixture results in the self-assembly of ferromagnetically coupled hexanuclear complexes [Ni6(H2L)2(HL-1)2(H2O)2(N3)6](ClO4)(2).2CH3OH (6), and [Ni6(H2L)2(HL-1)2(CH3OH)2(N3)6](BF4)2 (7), involving double (H3L) and single (H2L-1) Schiff base ligands, and a neutral tetranuclear complex [Ni4(H2L)2(OCH3)2(CH3CO2)2(N3)2] (8) with only double Schiff-base (H3L). In these complexes, the nature of the anion and the reaction conditions seem to play an important role in directing the formation of tetranuclear, hexanuclear or polymeric clusters. All complexes involve divacant double cubane-type cores containing three to four different types of bridging ligands (phenoxy, azido, methoxy/alkoxy, and acetate). Variable temperature magnetic properties of these spin coupled clusters have been investigated and magneto-structural correlations have been established.

  4. Models and Algorithms for Tracking Target with Coordinated Turn Motion

    Directory of Open Access Journals (Sweden)

    Xianghui Yuan

    2014-01-01

    Full Text Available Tracking target with coordinated turn (CT motion is highly dependent on the models and algorithms. First, the widely used models are compared in this paper—coordinated turn (CT model with known turn rate, augmented coordinated turn (ACT model with Cartesian velocity, ACT model with polar velocity, CT model using a kinematic constraint, and maneuver centered circular motion model. Then, in the single model tracking framework, the tracking algorithms for the last four models are compared and the suggestions on the choice of models for different practical target tracking problems are given. Finally, in the multiple models (MM framework, the algorithm based on expectation maximization (EM algorithm is derived, including both the batch form and the recursive form. Compared with the widely used interacting multiple model (IMM algorithm, the EM algorithm shows its effectiveness.

  5. Adaptive leg coordination with a biologically inspired neurocontroller

    Science.gov (United States)

    Braught, Grant; Thomopoulos, Stelios C.

    1996-10-01

    Natural selection is responsible for the creation of robust and adaptive control systems. Nature's control systems are created only from primitive building blocks. Using insect neurophysiology as a guide, a neural architecture for leg coordination in a hexapod robot has been developed. Reflex chains and sensory feedback mechanisms from various insects and crustacea form the basis of a pattern generator for intra-leg coordination. The pattern generator contains neural oscillators which learn from sensory feedback to produce stepping patterns. Using sensory feedback as the source of learning information allows the pattern generator to adapt to changes in the leg dynamics due to internal or external causes. A coupling between six of the single leg pattern generators is used to produce the inter-leg coordination necessary to establish stable gaits.

  6. Numerical construction of the p(fold) (committor) reaction coordinate for a Markov process.

    Science.gov (United States)

    Krivov, Sergei V

    2011-10-06

    To simplify the description of a complex multidimensional dynamical process, one often projects it onto a single reaction coordinate. In protein folding studies, the folding probability p(fold) is an optimal reaction coordinate which preserves many important properties of the dynamics. The construction of the coordinate is difficult. Here, an efficient numerical approach to construct the p(fold) reaction coordinate for a Markov process (satisfying the detailed balance) is described. The coordinate is obtained by optimizing parameters of a chosen functional form to make a generalized cut-based free energy profile the highest. The approach is illustrated by constructing the p(fold) reaction coordinate for the equilibrium folding simulation of FIP35 protein reported by Shaw et al. (Science 2010, 330, 341-346). © 2011 American Chemical Society

  7. [Transplant coordinator: organ donation process].

    Science.gov (United States)

    Gironés-Guillem, Purificación; Camaño-Puig, Ramón; Lillo-Crespo, Manuel

    2014-01-01

    Spain is a leader in organ donations although it seems that this number does not increase in the same proportion that the waiting list and it is necessary to decrease the refusal situations, which are ~16%. Analytic study. We review the reports prepared by the coordinators of transplants archived at the hospital La Fe during the period between May 1, 2004 and December 31, 2007, resulting in conceptualization and categorization. Sixty-nine topics were obtained from the point of view of the family and 11 from the point of view of the interviewer. After its conceptualization, codification and classification, we proceeded to create an appropriate text. Certain guidelines may be offered that allow us to standardize the action of transplant coordinators during the interview and to be more effective.

  8. Porphyrin coordination polymer nanospheres and nanorods

    Science.gov (United States)

    Wang, Zhongchun; Shelnutt, John A.; Medforth, Craig J.

    2012-12-04

    A porphyrin coordination polymer nanostructure comprising a network of pyridyl porphyrin molecules and coordinating metal ions coordinatively bound through the pyridyl groups. In some embodiments, the porphyrins are metalloporphyrins. A variety of nanostructures are formed by the network polymer, including nanospheres, polygonal nanostructures, nanorods, and nanofibers, depending on a variety of factors including coordination metal ion, porphyrin type, metal of the metalloporphyrin, and degree of agitation during nanostructure formation. Reduction of coordinating metal ions may be used to form metal nanoparticles on the coordination polymer nanostructure.

  9. Improving Channel Coordination Through Franchising

    OpenAIRE

    Rajiv Lal

    1990-01-01

    In this paper, we explore the role of franchising arrangements in improving coordination between channel members. In particular we focus on two elements of the franchising contract, namely, the royalty structure and the monitoring technology. We begin with a simple analysis where a manufacturer distributes its product through a retailer and the retail demand is affected by the retail price and the service provided by the retailer. In this context we show that neither royalty payments nor moni...

  10. Intergovernmental Coordination Mechanisms in India

    OpenAIRE

    Sharma, Chanchal Kumar

    2011-01-01

    As the political and economic system of a nation changes over time, so do intergovernmental relations [IGR]. Since human interactions are at the core of IGR, certain institutional mechanisms are required to facilitate interactions among political incumbents. These are called “coordination mechanisms”. The aim of these mechanisms is to achieve ‘policy coordination’ by facilitating interactions among the executives of the two orders of government. This paper reviews and critically analyzes int...

  11. Coordination strategies of crew management

    Science.gov (United States)

    Conley, Sharon; Cano, Yvonne; Bryant, Don

    1991-01-01

    An exploratory study that describes and contrasts two three-person flight crews performing in a B-727 simulator is presented. This study specifically attempts to delineate crew communication patterns accounting for measured differences in performance across routine and nonroutine flight patterns. The communication patterns in the two crews evaluated indicated different modes of coordination, i.e., standardization in the less effective crew and planning/mutual adjustment in the more effective crew.

  12. Sensory Coordination of Insect Flight

    Science.gov (United States)

    2009-12-29

    strains at the base of antennae, similar to halteres in Diptera . We are investigating various aspects of these phenomena in greater detail to understand...coordination in the soldier fly, Hermetia illucens (Tanvi Deora): One of the key sensory inputs for flight stability in Diptera comes from the haltere...as they land on visual objects that we provide them. This assay relies on the fact that houseflies are attracted to strong contrast visual cues when

  13. Xα-SW-calculation of the chemically induced decay constant variation of Tc-99m in the tetrahedral oxy-complex ion and the octahedral halogen-complex ions

    International Nuclear Information System (INIS)

    Hartmann, E.; Der, R.; Nagel, M.

    1979-01-01

    The tetrahedral and octahedral complex ions TcO - 4 , TcCl 2- 6 , TcBr 2- 6 , which exhibit experimentally determined decay constant variations of Tc-99m, meet the conditions for the application of the Xα-SW-method. The results of the calculations are given, including the case of TcF 2- 6 . The decay constant variations are evaluated using the one-electron functions in a partial-wave expansion. The results are compared with the measured values and a detailed discussion gives a comprehensive picture of the decay constant variation induced by the chemical surroundings considered. (orig.) [de

  14. Human Resources Coordinator | IDRC - International Development ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    More specifically, provide operational services such as provision of compensation and benefits information to employees and managers, coordination of talent ... file and information management and maintenance, coordination of various operational processes and provision of administrative services to the work unit.

  15. Reusable coordinator modules for massively concurrent applications

    NARCIS (Netherlands)

    F. Arbab (Farhad); C.L. Blom (Kees); F.J. Burger (Freek); C.T.H. Everaars (Kees)

    1998-01-01

    htmlabstractIsolating computation and communication concerns into separate pure computation and pure coordination modules enhances modularity, understandability and reusability of parallel and/or distributed software. MANIFOLD is a pure coordination language that encourages this separation. We use

  16. Vibrational self-consistent field theory using optimized curvilinear coordinates

    Science.gov (United States)

    Bulik, Ireneusz W.; Frisch, Michael J.; Vaccaro, Patrick H.

    2017-07-01

    A vibrational SCF model is presented in which the functions forming the single-mode functions in the product wavefunction are expressed in terms of internal coordinates and the coordinates used for each mode are optimized variationally. This model involves no approximations to the kinetic energy operator and does not require a Taylor-series expansion of the potential. The non-linear optimization of coordinates is found to give much better product wavefunctions than the limited variations considered in most previous applications of SCF methods to vibrational problems. The approach is tested using published potential energy surfaces for water, ammonia, and formaldehyde. Variational flexibility allowed in the current ansätze results in excellent zero-point energies expressed through single-product states and accurate fundamental transition frequencies realized by short configuration-interaction expansions. Fully variational optimization of single-product states for excited vibrational levels also is discussed. The highlighted methodology constitutes an excellent starting point for more sophisticated treatments, as the bulk characteristics of many-mode coupling are accounted for efficiently in terms of compact wavefunctions (as evident from the accurate prediction of transition frequencies).

  17. Synthesis and characterization of the mixed ligand coordination polymer CPO-5

    International Nuclear Information System (INIS)

    Kongshaug, K.O.; FjellvAg, Helmer

    2003-01-01

    The synthesis and crystal structures of a novel coordination polymer and its high-temperature variant are described. The as-synthesized material (CPO-5-as), of composition Zn(4,4'-bipyridine)(4,4'-biphenyldicarboxylate)·3H 2 O, crystallizes in the triclinic space group P-1 (No. 2) with a=11.0197(2), b=14.2975(3), c=7.6586(1) A, α=95.9760(9) deg. , β=108.026(1) deg. , γ=91.373(1) deg. and V=1139.16(4) A 3 . CPO-5-as is composed of tetrahedral zinc centers that are connected by the organic linkers to give five independent, interpenetrating diamond networks. In the structure, there is additional space for channels that are filled with three water molecules. These water molecules can be removed, leading to an anhydrous variant at 130 o C. CPO-5-130, of composition Zn(4,4'-bipyridine)(4,4'-biphenyldicarboxylate), crystallizes in the triclinic space group P-1 (No. 2) with a=11.1844(6), b=14.0497(7), c=7.7198(3) A, α=96.917(2) deg. , β=109.527(2) deg. , γ=89.115(3) deg. and V=1134.6(1) A 3 . The structure of the five interpenetrating networks is virtually unchanged after the dehydration resulting in CPO-5-130 being a porous structure with an estimated free volume of 19.8%

  18. Preparation and characterization of organotin-oxomolybdate coordination polymers and their use in sulfoxidation catalysis.

    Science.gov (United States)

    Abrantes, Marta; Valente, Anabela A; Pillinger, Martyn; Gonçalves, Isabel S; Rocha, João; Romão, Carlos C

    2003-06-16

    The organotin-oxomolybdates [(R(3)Sn)(2)MoO(4)].n H(2)O (R=methyl, n-butyl, cyclohexyl, phenyl, benzyl) have been prepared and tested as catalysts for the oxidation of benzothiophene with aqueous hydrogen peroxide, at 35 degrees C and atmospheric pressure. In all cases, the 1,1-dioxide was the only observed product. The kinetic profiles depend on the nature of the tin-bound R group and also on the addition of a co-solvent. For the tribenzyltin derivative, the apparent activation energies for sulfoxidation as a function of the co-solvent are in the order 1,2-dichloroethane (5 kcal mol(-1))ethanolpolymers also have different structures, as evidenced by Xray powder diffraction. Mo K-edge and Sn K-edge EXAFS spectroscopy confirmed that the structures arise from the self-assembly of tetrahedral [MoO(4)](2-) subunits and [R(3)Sn](+) spacers. The Mo...Sn separation in the trimethyltin derivative is a uniform 3.84 A. By contrast, the EXAFS results revealed the coexistence of short (3.67-3.79 A) and long (3.93-4.07 A) Mo.Sn separations in the other coordination polymers. The catalyst precursors were also characterized in the solid state by thermogravimetric analysis, FTIR, and Raman spectroscopy, and MAS NMR ((13)C, (119)Sn) spectroscopy.

  19. Emission coordinates in Minkowski space-time

    International Nuclear Information System (INIS)

    Coll, Bartolome; Ferrando, Joan J.; Morales, Juan A.

    2009-01-01

    The theory of relativistic positioning systems and their natural associated emission coordinates are essential ingredients in the analysis of navigation systems and astrometry. Here we study emission coordinates in Minkowski space-time. For any choice of the four emitters (arbitrary space-time trajectories) the relation between the corresponding emission coordinates and the inertial ones are explicitly given.

  20. 78 FR 34035 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2013-06-06

    ... Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of meeting. SUMMARY: The Forest Resource Coordinating Committee will meet via teleconference every month on... conference call will be posted to the Forest Resource Coordinating Committee Web site, http://www.fs.fed.us...

  1. Optimization of strong and weak coordinates

    NARCIS (Netherlands)

    Swart, M.; Bickelhaupt, F.M.

    2006-01-01

    We present a new scheme for the geometry optimization of equilibrium and transition state structures that can be used for both strong and weak coordinates. We use a screening function that depends on atom-pair distances to differentiate strong coordinates from weak coordinates. This differentiation

  2. Grant Administration Manual for Title III Coordinators.

    Science.gov (United States)

    Mathis, Emily Duncan; Ashmore, Frances W.

    Guidelines for coordinators of programs under Title III of the Higher Education Act of 1965 are presented, based on a national survey of Title III program coordinators. The responsibilities of the coordinator and information on administering the Strengthening Developing Institutions Program (SDIP) grant are covered. The program can either be a…

  3. 47 CFR 27.57 - International coordination.

    Science.gov (United States)

    2010-10-01

    ... COMMUNICATIONS SERVICES Technical Standards § 27.57 International coordination. (a) WCS operations in the border areas shall be subject to coordination with those countries and provide protection to non-U.S... 47 Telecommunication 2 2010-10-01 2010-10-01 false International coordination. 27.57 Section 27.57...

  4. 40 CFR 109.6 - Coordination.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 21 2010-07-01 2010-07-01 false Coordination. 109.6 Section 109.6 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS CRITERIA FOR STATE, LOCAL AND REGIONAL OIL REMOVAL CONTINGENCY PLANS § 109.6 Coordination. For the purposes of coordination...

  5. 49 CFR 214.325 - Train coordination.

    Science.gov (United States)

    2010-10-01

    ..., DEPARTMENT OF TRANSPORTATION RAILROAD WORKPLACE SAFETY Roadway Worker Protection § 214.325 Train coordination. Working limits established by a roadway worker through the use of train coordination shall comply with the... 49 Transportation 4 2010-10-01 2010-10-01 false Train coordination. 214.325 Section 214.325...

  6. Coordination of multiple robot arms

    Science.gov (United States)

    Barker, L. K.; Soloway, D.

    1987-01-01

    Kinematic resolved-rate control from one robot arm is extended to the coordinated control of multiple robot arms in the movement of an object. The structure supports the general movement of one axis system (moving reference frame) with respect to another axis system (control reference frame) by one or more robot arms. The grippers of the robot arms do not have to be parallel or at any pre-disposed positions on the object. For multiarm control, the operator chooses the same moving and control reference frames for each of the robot arms. Consequently, each arm then moves as though it were carrying out the commanded motions by itself.

  7. Application coordination in pervasive systems

    CERN Document Server

    Majuntke, Verena Elisabeth

    2013-01-01

    Pervasive applications are designed to support users in their daily life. For this purpose, applications interact with their environment, i.e. their context. They are able to adapt themselves to context changes or to explicitly change the context via actuators. If multiple applications are executed in the same context, interferences are likely to occur. To manage interferences, a coordination framework is presented in this thesis. Interferences are detected using a context model and information about applications' interaction with the context. The resolution of interference is achieved through

  8. Coordination compounds in nuclear medicine

    International Nuclear Information System (INIS)

    Jurisson, S.; Berning, D.; Wei Jia; Dangshe Ma

    1993-01-01

    Radiopharmaceuticals, drugs containing a radionuclide, are used routinely in nuclear medicine departments for the diagnosis of disease and are under investigation for use in the treatment of disease. Nuclear medicine takes advantage of both the nuclear properties of the radionuclide and the pharmacological properties of the radiopharmaceutical. Herein lies the real strength of nuclear medicine, the ability to monitor biochemical and physiological functions in vivo. This review discusses the coordination chemistry that forms the basis for nuclear medicine applications of the FDA-approved radiopharmaceuticals that are in clinical use, and of the most promising diagnostic and therapeutic radiopharmaceuticals that are in various stages of development. 232 refs

  9. Amidinate Ligands in Zinc coordination sphere: Synthesis and ...

    Indian Academy of Sciences (India)

    Department of Chemistry, Indian Institute of Technology Hyderabad, Kandi 502 285,. Sangareddy, Telangana, India e-mail: tpanda@iith.ac. ..... All the new zinc complexes 1-3 were characterized using standard analytical and .... the adoption of a distorted tetrahedral geometry around the zinc ion. Supplementary Information ...

  10. Selective high capacity adsorption of Congo red, luminescence and antibacterial assessment of two new cadmium(II) coordination polymers

    Science.gov (United States)

    Beheshti, Azizolla; Nozarian, Kimia; Ghamari, Narges; Mayer, Peter; Motamedi, Hossein

    2018-02-01

    Coordination polymers [CdCl(NCS)L]n (1) and {[Cd2I4(L)2]·H2O·DMF}n (2) (where L = 1, 1-(1,4-butanediyl)bis(1,3-dihydro-3-methyl-1H-imidazole- 2-thione)) were synthesized and structurally characterized. Compounds 1 and 2 both possess a tetrahedral arrangement with CdS2NCl and CdS2I2 cores, respectively. In these structures, the flexible thione ligands adopt a μ- bridging coordination mode to form 1D chains along the b-axis. The 1D chains are join together by C-H--Cl hydrogen bonds (in 1) and water molecules (in 2) to create a 2D supramolecular framework with an ABAB…packing mode. Remarkably, compounds 1 and 2 in particular polymer 1 exhibit excellent capacity to adsorb Congo red (CR) with high selectivity. The experimental data demonstrate that the mechanism of sorption process can be described by the Elovich and pseudo second order kinetic models for 1 and 2, respectively. Furthermore, the possible mechanism of CR absorption was investigated by UV-Vis and solid state fluorescence spectra for the title polymers. In addition, the antibacterial assessment of these compounds have also been studied.

  11. Feasibility Study and Cost Benefit Analysis of Conference Coordinating at the Naval Postgraduate School

    Science.gov (United States)

    2009-06-01

    service. Our conversations with UCEN personnel indicated that event planning is conducted by a single conference service manager , an assistant and...down. A host contacts the conference service manager and the catering manager. All event details are coordinated through these two representatives...including audiovisual support, room configuration, and any special requirements. The conference service manager maintains a single master calendar

  12. Unpacking Coordination Benefits in Supply Networks

    DEFF Research Database (Denmark)

    Petrick, Irene J.; Maitland, Carleen; Pogrebnyakov, Nicolai

    2016-01-01

    This paper examines how coordination among firms in supply networks generates benefits in the short and long terms for firms. It focuses on information technology (IT) and process improvement coordination. Analysis was performed on quantitative and qualitative data from a sample of SMEs in plastics...... manufacturing in Pennsylvania. Results indicate that coordination on both IT and process improvement leads to short- and long-term benefits. These relationships were mediated by the adoption of innovations (when coordinating on IT) and access to new capabilities (in process improvement coordination...

  13. Astroglial networks promote neuronal coordination.

    Science.gov (United States)

    Chever, Oana; Dossi, Elena; Pannasch, Ulrike; Derangeon, Mickael; Rouach, Nathalie

    2016-01-12

    Astrocytes interact with neurons to regulate network activity. Although the gap junction subunits connexin 30 and connexin 43 mediate the formation of extensive astroglial networks that cover large functional neuronal territories, their role in neuronal synchronization remains unknown. Using connexin 30- and connexin 43-deficient mice, we showed that astroglial networks promoted sustained population bursts in hippocampal slices by setting the basal active state of neurons. Astroglial networks limited excessive neuronal depolarization induced by spontaneous synaptic activity, increased neuronal release probability, and favored the recruitment of neurons during bursting, thus promoting the coordinated activation of neuronal networks. In vivo, this sustained neuronal coordination translated into increased severity of acutely evoked epileptiform events and convulsive behavior. These results revealed that connexin-mediated astroglial networks synchronize bursting of neuronal assemblies, which can exacerbate pathological network activity and associated behavior. Our data thus provide molecular and biophysical evidence predicting selective astroglial gap junction inhibitors as anticonvulsive drugs. Copyright © 2016, American Association for the Advancement of Science.

  14. Intelligent navigation and multivehicle coordination

    Science.gov (United States)

    McKay, Mark D.; Anderson, Matthew O.; Kinoshita, Robert A.; Flann, Nicholas S.

    1999-07-01

    The Idaho National Engineering and Environmental Laboratory (INEEL) and Utah State University's Center for Self-Organizing and Intelligent Systems have developed a team of autonomous robotic vehicles. This paper discusses the development of a strategy that uses a sophisticated, highly intelligent sensor platform to allow centralized coordination between smaller and inexpensive robots. The three components of the multi-agent cooperative scheme are small-scale robots, large-scale robots, and the central control station running a mission and path- planning software. The smaller robots are used for activities where the probability of loss increases, such as Unexploded Ordnance (UXO) or mine detonation. The research is aimed at building simple, inexpensive multi-agent vehicles and an intelligent navigation and multi-vehicle coordination system suitable for UXO, environmental remediation or mine detection. These simplified robots are capable of conducting hunting missions using low-cost positioning sensors and intelligent algorithms. Additionally, a larger sensor-rich intelligent system capable of transporting smaller units to outlying remote sites has been developed. The larger system interfaces to the central control station and provides navigation assistance to multiple low-cost vehicles. Finally, mission and path-planning software serves as the operator control unit, allowing central data collection, map creation and tracking, and an interface to the larger system as well as each smaller unit. The power of this scheme is the ability to scale to the appropriate level for the complexity of the mission.

  15. Coordination of glioblastoma cell motility by PKCι

    Directory of Open Access Journals (Sweden)

    Baldwin R Mitchell

    2010-09-01

    Full Text Available Abstract Background Glioblastoma is one of the deadliest forms of cancer, in part because of its highly invasive nature. The tumor suppressor PTEN is frequently mutated in glioblastoma and is known to contribute to the invasive phenotype. However the downstream events that promote invasion are not fully understood. PTEN loss leads to activation of the atypical protein kinase C, PKCι. We have previously shown that PKCι is required for glioblastoma cell invasion, primarily by enhancing cell motility. Here we have used time-lapse videomicroscopy to more precisely define the role of PKCι in glioblastoma. Results Glioblastoma cells in which PKCι was either depleted by shRNA or inhibited pharmacologically were unable to coordinate the formation of a single leading edge lamellipod. Instead, some cells generated multiple small, short-lived protrusions while others generated a diffuse leading edge that formed around the entire circumference of the cell. Confocal microscopy showed that this behavior was associated with altered behavior of the cytoskeletal protein Lgl, which is known to be inactivated by PKCι phosphorylation. Lgl in control cells localized to the lamellipod leading edge and did not associate with its binding partner non-muscle myosin II, consistent with it being in an inactive state. In PKCι-depleted cells, Lgl was concentrated at multiple sites at the periphery of the cell and remained in association with non-muscle myosin II. Videomicroscopy also identified a novel role for PKCι in the cell cycle. Cells in which PKCι was either depleted by shRNA or inhibited pharmacologically entered mitosis normally, but showed marked delays in completing mitosis. Conclusions PKCι promotes glioblastoma motility by coordinating the formation of a single leading edge lamellipod and has a role in remodeling the cytoskeleton at the lamellipod leading edge, promoting the dissociation of Lgl from non-muscle myosin II. In addition PKCι is required

  16. From Widely Accepted Concepts in Coordination Chemistry to Inverted Ligand Fields.

    Science.gov (United States)

    Hoffmann, Roald; Alvarez, Santiago; Mealli, Carlo; Falceto, Andrés; Cahill, Thomas J; Zeng, Tao; Manca, Gabriele

    2016-07-27

    We begin with a brief historical review of the development of our understanding of the normal ordering of nd orbitals of a transition metal interacting with ligands, the most common cases being three below two in an octahedral environment, two below three in tetrahedral coordination, and four below one in a square-planar environment. From the molecular orbital construction of these ligand field splittings evolves a strategy for inverting the normal order: the obvious way to achieve this is to raise the ligand levels above the metal d's; that is, make the ligands better Lewis bases. However, things are not so simple, for such metal/ligand level placement may lead to redox processes. For 18-electron octahedral complexes one can create the inverted situation, but it manifests itself in the makeup of valence orbitals (are they mainly on metal or ligands?) rather than energy. One can also see the effect, in small ways, in tetrahedral Zn(II) complexes. We construct several examples of inverted ligand field systems with a hypothetical but not unrealistic AlCH3 ligand and sketch the consequences of inversion on reactivity. Special attention is paid to the square-planar case, exemplified by [Cu(CF3)4](-), in which Snyder had the foresight to see a case of an inverted field, with the empty valence orbital being primarily ligand centered, the dx2-y2 orbital heavily occupied, in what would normally be called a Cu(III) complex. For [Cu(CF3)4](-) we provide theoretical evidence from electron distributions, geometry of the ligands, thermochemistry of molecule formation, and the energetics of abstraction of a CF3 ligand by a base, all consistent with oxidation of the ligands in this molecule. In [Cu(CF3)4](-), and perhaps more complexes on the right side of the transition series than one has imagined, some ligands are σ-noninnocent. Exploration of inverted ligand fields helps us see the continuous, borderless transition from transition metal to main group bonding. We also give

  17. Isotropic coordinates for Schwarzschild black hole radiation

    International Nuclear Information System (INIS)

    Wang Fujun; Gui Yuanxing; Ma Chunrui

    2007-01-01

    The isotropic coordinate system of Schwarzschild spacetime has several attractive properties similar with the Painleve-Gullstrand coordinates. The purpose for us to choose the isotropic coordinates is to resolve the ambiguities of the tunneling picture in Hawking radiation. Based on energy conservation, we investigate Hawking radiation as massless particles tunneling across the event horizon of the Schwarzschild black hole in the isotropic coordinates. Because the amplitude for a black hole to emit particles is related to the amplitude for it to absorb, we must take into account the contribution of ingoing solution to the action, ImS=ImS out -ImS in . It will be shown that the imaginary part of action for ingoing particles is zero (ImS in =0) in the Painleve-Gullstrand coordinates, so the equation ImS=ImS out -ImS in is valid in both the isotropic coordinates and the Painleve-Gullstrand coordinates

  18. Coordinated research projects (CRP). Coordinated research project (CRP)

    International Nuclear Information System (INIS)

    Takagi, Hidekazu; Koike, Fumihiro; Nakamura, Nobuyuki

    2013-01-01

    In the present paper, the contribution of Japanese scientists in coordinated research projects on thermonuclear fusion. Representative subjects taken in seven projects are the precise computation of theoretical data on electron-molecule collisions in the peripheral plasma, the computation of spectroscopic data of multi-charged tungsten ions, the spectroscopic measurement of multi-charged tungsten ions using an ion trap device, the development of collisional-radiative model for plasmas including hydrogen and helium, the computational and theoretical studies on the behavior of tungsten and beryllium in the plasma-wall interaction, the study on the property of dusts generated in fusion devices. These subjects are those of most important issues in ITER. (author)

  19. Coordinating International Response to Emergencies

    International Nuclear Information System (INIS)

    Bice, S. D.

    2007-01-01

    Pandemic disease, natural disasters and terrorism can affect thousands of people in a relatively short period of time anywhere in the world. Our recent international experience with hurricanes, earthquakes, tsunamis and infectious diseases (AIDS, TB and highly pathogenic avian influenza) show us that we must respond with a coordinated approach or we will fail the very people we intend to help. Nations from around the world are often eager to send assistance to the site of a disaster, but coordinating the incoming aid is more often flawed and imprecise than it must be in order to save lives and mitigate suffering. How can any one country, suffering from a horrendous calamity coordinate the incoming aid from around the world? Can any one agency hope to coordinate the myriad nation's response let alone that of the hundreds of non-governmental organizations? Currently, the answer is sadly, no. The purpose of this presentation is not to recommend one over the many international bodies which claim to oversee humanitarian assistance; the purpose of this presentation is to discuss the elements of only one aspect of the overall response effort: public health and medical response coordination. Public health response is of course different than a purely medical response. Traditionally, in a natural disaster, immediate public health concerns center around water, sewerage/waste disposal, potential for disease outbreaks, etc, whereas medical response concentrates on triage, saving those who can be saved, patching up the injured, and to a lesser extent, primary care to the survivors. In order to avoid political controversy, this presentation will use the example of Hurricane Iniki in Hawaii, September 1992, to illustrate key concepts. The State of Hawaii is no stranger to natural disasters. Their emergency response mechanisms are well honed, exercised and quite capable. However, the local community leaders on Kauai Island went thru each of the following phases before they

  20. Coordination chemistry of technetium as related to nuclear medicine

    International Nuclear Information System (INIS)

    Srivastava, S.C.; Richards, P.

    1982-01-01

    Significant advances have been made in the area of technetium coordination chemistry during the last five years. The main driving force behind this recent surge of interest in the field has been due to the practical application of technetium-99m in the rapidly growing speciality of nuclear medicine. Technetium-99 is one of the products of nuclear fission reactions, but it was the development of the molybdenum-99-technetium-99m generator about two decades ago that provided the basis for the development of radiopharmaceuticals routinely used in modern diagnostic applications. The chemistry of this element has proven to be quite rich owing to its multiple oxidation states and variable geometry. This can be attributed to its position in the middle of the periodic table. Diagnostic radiopharmaceuticals comprise predominantly III, IV and V oxidation states of Tc and involve a variety of coordination complexes. Even though the chemistry of Tc has been slow to evolve, recent synthetic advances have provided a more scientific basis for the study of a number of compounds with diverse coordination geometries and structures. Ligands with oxygen, nitrogen and sulfur donor atoms have been utilized to elucidate various aspects of the coordination chemistry of Tc. Single crystal X-ray structural analysis has been extensively used to characterize Tc complexes and thus construct a firm foundation for the study of synthetic and mechanistic aspects of the chemistry of this element. (author)

  1. Autonomous Coordination of Science Observations Using Multiple Spacecraft

    Science.gov (United States)

    Estlin, Tara A.; Chien, Steve A.; Castano, Rebecca; Gaines, Daniel M.; Doubleday, Joshua R.; Schoolcraft, Joshua B.; Oyake, Amalaye; Vaughs, Ashton G.; Torgerson, Jordan L.; Granville, Charles

    2011-01-01

    This software provides capabilities for autonomous cross-cueing and coordinated observations between multiple orbital and landed assets. Previous work has been done in re-tasking a single Earth orbiter or a Mars rover in response to that craft detecting a science event. This work enables multiple spacecraft to communicate (over a network designed for deep-space communications) and autonomously coordinate the characterization of such a science event. This work investigates a new paradigm of space science campaigns where opportunistic science observations are autonomously coordinated among multiple spacecraft. In this paradigm, opportunistic science detections can be cued by multiple assets where a second asset is requested to take additional observations characterizing the identified surface feature or event. To support this new paradigm, an autonomous science system for multiple spacecraft assets was integrated with the Interplanetary Network DTN (Delay Tolerant Network) to provide communication between spacecraft assets. This technology enables new mission concepts that are not feasible with current technology. The ability to rapidly coordinate activities across spacecraft without requiring ground in the loop enables rapid reaction to dynamic events across platforms, such as a survey instrument followed by a targeted high resolution instrument, as well as regular simultaneous observations.

  2. Transitions in Al Coordination during Gibbsite Crystallization Using High-Field 27 Al and 23 Na MAS NMR Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Jian Zhi [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Zhang, Xin [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Jaegers, Nicholas R. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Washington State University, Pullman, Washington 99164, United States; Wan, Chuan [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Graham, Trent R. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Washington State University, Pullman, Washington 99164, United States; Hu, Mary [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Pearce, Carolyn I. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Felmy, Andrew R. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Washington State University, Pullman, Washington 99164, United States; Clark, Sue B. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Washington State University, Pullman, Washington 99164, United States; Rosso, Kevin M. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States

    2017-11-30

    Mechanisms of nucleation and growth of Al hydroxides such as gibbsite from aqueous solution, particularly in highly alkaline conditions, remain poorly understood. In this work, quantitative 27Al and 22Na MAS NMR experiments were conducted on solid samples extracted from the crystallization of gibbsite from an amorphous aluminum hydroxide gel precursor. The use of high magnetic field and fast sample spinning allowed transitional tetrahedral (AlT) and pentahedral (AlP) aluminum species to be observed along with the octahedral aluminum (AlO) that dominates the gibbsite product. Low-coordinated Al species could be detected at concentrations as low as 0.1% of the total Al sites. It is established that (a) AlT and AlP coexist on the surface of growing gibbsites even with a combined percentage over the total Al sites of less than 1%; (b) Different synthesis methods generate gibbsite with varying amounts of low-coordinated Al; (c) the amorphous gel precursor contains a significant amount of low-coordinated Al sites with AO: AlP: AlT ratios of approximately 4:2:1; (d) upon hydration, the external, low-coordinated Al sites become six-fold coordinated by interacting with the oxygen in H2O and the 27Al MAS NMR peak position shifts to that for the AlO sites; (e) gibbsite with increased long range order is synthesized over longer times by gradually incorporating residual AlP and AlT sites into octahedrally-coordinated AlO sites; (f) trace Na is predominantly a surface species on gibbsite particles. These findings provide a basis for understanding the gibbsite crystallization mechanism, along with a general means of characterizing gibbsite surface properties that are of equal importance for understanding related processes such as dissolution behavior.

  3. Impairments of Social Motor Coordination in Schizophrenia

    Science.gov (United States)

    Varlet, Manuel; Marin, Ludovic; Raffard, Stéphane; Schmidt, R. C.; Capdevielle, Delphine; Boulenger, Jean-Philippe; Del-Monte, Jonathan; Bardy, Benoît G.

    2012-01-01

    It has been demonstrated that motor coordination of interacting people plays a crucial role in the success of social exchanges. Abnormal movements have been reported during interpersonal interactions of patients suffering from schizophrenia and a motor coordination breakdown could explain this social interaction deficit, which is one of the main and earliest features of the illness. Using the dynamical systems framework, the goal of the current study was (i) to investigate whether social motor coordination is impaired in schizophrenia and (ii) to determine the underlying perceptual or cognitive processes that may be affected. We examined intentional and unintentional social motor coordination in participants oscillating hand-held pendulums from the wrist. The control group consisted of twenty healthy participant pairs while the experimental group consisted of twenty participant pairs that included one participant suffering from schizophrenia. The results showed that unintentional social motor coordination was preserved while intentional social motor coordination was impaired. In intentional coordination, the schizophrenia group displayed coordination patterns that had lower stability and in which the patient never led the coordination. A coupled oscillator model suggests that the schizophrenia group coordination pattern was due to a decrease in the amount of available information together with a delay in information transmission. Our study thus identified relational motor signatures of schizophrenia and opens new perspectives for detecting the illness and improving social interactions of patients. PMID:22272247

  4. Coordinated Exploration for Grand Challenges

    DEFF Research Database (Denmark)

    Ørding Olsen, Anders; Sofka, Wolfgang; Grimpe, Christoph

    2016-01-01

    to engage in joint search and compete for funding. Prior research on joint search highlights the role of specialized organizations, mainly regarding technological domains, to identify a superior solution. However, stakeholder theory leads us to believe that the success of any solution depends...... on the acceptance and support of important stakeholders. In this study, we suggest that search consortia are more likely to receive funding when they include representatives of stakeholder concerns, so-called advocacy groups. We extend theory on coordinated exploration in joint search by integrating mechanisms from...... stakeholder theory and argue that advocacy groups improve the generation of potential solutions and provide legitimacy. We test our theory with a unique dataset of 35,249 consortia that proposed solutions to 2,349 grand challenge problems as part of a large European funding program. Our results show...

  5. Coordination control of distributed systems

    CERN Document Server

    Villa, Tiziano

    2015-01-01

    This book describes how control of distributed systems can be advanced by an integration of control, communication, and computation. The global control objectives are met by judicious combinations of local and nonlocal observations taking advantage of various forms of communication exchanges between distributed controllers. Control architectures are considered according to  increasing degrees of cooperation of local controllers:  fully distributed or decentralized control,  control with communication between controllers,  coordination control, and multilevel control.  The book covers also topics bridging computer science, communication, and control, like communication for control of networks, average consensus for distributed systems, and modeling and verification of discrete and of hybrid systems. Examples and case studies are introduced in the first part of the text and developed throughout the book. They include: control of underwater vehicles, automated-guided vehicles on a container terminal, contro...

  6. Update on System Coordination Centre

    International Nuclear Information System (INIS)

    Stangl, W.

    1998-01-01

    The new System Coordination Centre at the Power Pool of Alberta was designed to meet the unique requirements of Alberta's electric industry under the new regulatory regime. Development of the Centre, key provisions of the energy management system (EMS) are highlighted. The centre will provide an energy management system for the Pool's system controller function and interface with the Power Pool Administrator's market functions and the operations of the Transmission Administrator. System controllers are expected to be operating from the new location by the end of 1998. Unique EMS features of the centre include: (1) real-time management of energy market and network operations using diverse SCADA/EMS, (2) inter-control centre protocol used to accommodate the unique participant information requirements, and (3) special custom applications. The Centre is expected to be fully functioning by July 1999. 1 fig

  7. Coordination Frictions and Job Heterogeneity

    DEFF Research Database (Denmark)

    Kennes, John; le Maire, Christian Daniel

    This paper develops and extends a dynamic, discrete time, job to worker matching model in which jobs are heterogeneous in equilibrium. The key assumptions of this economic environment are (i) matching is directed and (ii) coordination frictions lead to heterogeneous local labor markets. We de- rive...... a number of new theoretical results, which are essential for the empirical application of this type of model to matched employer-employee microdata. First, we o¤er a robust equilibrium concept in which there is a continu- ous dispersion of job productivities and wages. Second, we show that our model can...... be readily solved with continuous exogenous worker heterogene- ity, where high type workers (high outside options and productivity) earn higher wages in high type jobs and are hired at least as frequently to the better job types as low type workers (low outside options and productivity). Third, we...

  8. Coordinating towards a Common Good

    Science.gov (United States)

    Santos, Francisco C.; Pacheco, Jorge M.

    2010-09-01

    Throughout their life, humans often engage in collective endeavors ranging from family related issues to global warming. In all cases, the tragedy of the commons threatens the possibility of reaching the optimal solution associated with global cooperation, a scenario predicted by theory and demonstrated by many experiments. Using the toolbox of evolutionary game theory, I will address two important aspects of evolutionary dynamics that have been neglected so far in the context of public goods games and evolution of cooperation. On one hand, the fact that often there is a threshold above which a public good is reached [1, 2]. On the other hand, the fact that individuals often participate in several games, related to the their social context and pattern of social ties, defined by a social network [3, 4, 5]. In the first case, the existence of a threshold above which collective action is materialized dictates a rich pattern of evolutionary dynamics where the direction of natural selection can be inverted compared to standard expectations. Scenarios of defector dominance, pure coordination or coexistence may arise simultaneously. Both finite and infinite population models are analyzed. In networked games, cooperation blooms whenever the act of contributing is more important than the effort contributed. In particular, the heterogeneous nature of social networks naturally induces a symmetry breaking of the dilemmas of cooperation, as contributions made by cooperators may become contingent on the social context in which the individual is embedded. This diversity in context provides an advantage to cooperators, which is particularly strong when both wealth and social ties follow a power-law distribution, providing clues on the self-organization of social communities. Finally, in both situations, it can be shown that individuals no longer play a defection dominance dilemma, but effectively engage in a general N-person coordination game. Even if locally defection may seem

  9. Classification using diffraction patterns for single-particle analysis

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Hongli; Zhang, Kaiming [Department of Biophysics, the Health Science Centre, Peking University, Beijing 100191 (China); Meng, Xing, E-mail: xmeng101@gmail.com [Wadsworth Centre, New York State Department of Health, Albany, New York 12201 (United States)

    2016-05-15

    An alternative method has been assessed; diffraction patterns derived from the single particle data set were used to perform the first round of classification in creating the initial averages for proteins data with symmetrical morphology. The test protein set was a collection of Caenorhabditis elegans small heat shock protein 17 obtained by Cryo EM, which has a tetrahedral (12-fold) symmetry. It is demonstrated that the initial classification on diffraction patterns is workable as well as the real-space classification that is based on the phase contrast. The test results show that the information from diffraction patterns has the enough details to make the initial model faithful. The potential advantage using the alternative method is twofold, the ability to handle the sets with poor signal/noise or/and that break the symmetry properties. - Highlights: • New classification method. • Create the accurate initial model. • Better in handling noisy data.

  10. Classification using diffraction patterns for single-particle analysis

    International Nuclear Information System (INIS)

    Hu, Hongli; Zhang, Kaiming; Meng, Xing

    2016-01-01

    An alternative method has been assessed; diffraction patterns derived from the single particle data set were used to perform the first round of classification in creating the initial averages for proteins data with symmetrical morphology. The test protein set was a collection of Caenorhabditis elegans small heat shock protein 17 obtained by Cryo EM, which has a tetrahedral (12-fold) symmetry. It is demonstrated that the initial classification on diffraction patterns is workable as well as the real-space classification that is based on the phase contrast. The test results show that the information from diffraction patterns has the enough details to make the initial model faithful. The potential advantage using the alternative method is twofold, the ability to handle the sets with poor signal/noise or/and that break the symmetry properties. - Highlights: • New classification method. • Create the accurate initial model. • Better in handling noisy data.

  11. Danish general practitioners only play a minor role in the coordination of cancer treatment

    DEFF Research Database (Denmark)

    Dalsted, Rikke Juul; Guassora, Ann Dorrit; Thorsen, Thorkil

    2011-01-01

    of coordination. The aim of the article is to discuss whether general practitioners (GPs) may play a coordinating role for individual patients in Danish cancer treatment? MATERIAL AND METHODS: This study is based on individual interviews and focus groups analyzed by meaning condensation. RESULTS: The GP...... trajectories. The findings of the present study question the idea that coordination throughout the entire health-care system may be assigned to a single individual as the involved parties belong to different organizations with different goals, managements and economic resources....

  12. Photoactive devices including porphyrinoids with coordinating additives

    Science.gov (United States)

    Forrest, Stephen R; Zimmerman, Jeramy; Yu, Eric K; Thompson, Mark E; Trinh, Cong; Whited, Matthew; Diev, Vlacheslav

    2015-05-12

    Coordinating additives are included in porphyrinoid-based materials to promote intermolecular organization and improve one or more photoelectric characteristics of the materials. The coordinating additives are selected from fullerene compounds and organic compounds having free electron pairs. Combinations of different coordinating additives can be used to tailor the characteristic properties of such porphyrinoid-based materials, including porphyrin oligomers. Bidentate ligands are one type of coordinating additive that can form coordination bonds with a central metal ion of two different porphyrinoid compounds to promote porphyrinoid alignment and/or pi-stacking. The coordinating additives can shift the absorption spectrum of a photoactive material toward higher wavelengths, increase the external quantum efficiency of the material, or both.

  13. Collaborative Supply Chain Planning and Coordination

    DEFF Research Database (Denmark)

    Wong, Chee Yew

    This thesis contains main results from an industrial PhD research in the areas of supply chain strategy, planning, and coordination. It applies the concepts of responsiveness and coordination to reduce mismatch of supply and demand, especially for a volatile and seasonal supply chain. It involves...... a series of case studies on the process of planning coordination between a toy manufacturer (LEGO Company) and its major European customers (toy retailers). The thesis presents a plurality of six selected research papers and a main report. These research papers provide case analyses while the main report...... between the toy manufacturer and three European retailers. These three case studies provide evidences that the toy manufacturer and the retailers followed some particular patterns of planning coordination processes; they also practised some patterns of coordination behaviour during the coordination...

  14. Control coordination abilities in shock combat sports

    Directory of Open Access Journals (Sweden)

    Natalya Boychenko

    2014-12-01

    Full Text Available Purpose: optimize the process control level of coordination abilities in martial arts. Material and Methods: analysis and compilation of scientific and methodological literature, interviews with coaches of drum martial arts, video analysis techniques, teacher observations. Results: identified specific types of coordination abilities in shock combat sports. Pod branny and offered specific and nonspecific tests to monitor the level of species athletes coordination abilities. Conclusion: it is determined that in order to achieve victory in the fight martial artists to navigate the space to be able to assess and manage dynamic and spatio-temporal parameters of movements, maintain balance, have a high coordination of movements. The proposed tests to monitor species coordination abilities athletes allow an objective assessment of not only the overall level of coordination, and the level of specific types of manifestations of this ability.

  15. Synthesis and Molecular Structures of Two [1,4-bis(3-pyridyl-2,3-diazo-1,3-butadiene]-dichloro-Zn(II Coordination Polymers

    Directory of Open Access Journals (Sweden)

    Hsin-Ta Wang

    2006-08-01

    Full Text Available Two novel coordination polymers with 3D metal-organic frameworks (MOFs have been synthesized by reacting 1,4-bis(3-pyridyl-2,3-diazo-1,3-butadiene (L with zinc dichloride. Both compounds have the same repeating unit consisting of a distorted tetrahedral Zn(II center coordinated by two chlorides and two pyridyl nitrogen atoms of two bridging bismonodentate L ligands, however, different structural conformations have been found, one forming a helical chain and the other producing a square-wave chain. The intermolecular C−H···Cl hydrogen bonds in 1 and 2 play important roles in the formation of three-dimensional coordination polymers. Compound 1 crystallized in an orthorhombic space group Pna21 with a = 7.9652(3, b = 21.4716(7, c = 8.2491(3Å, V = 1410.81(9 Å 3 and Z = 4. Compound 2 crystallized in a monoclinic space group P21/n with a = 9.1752(3, b = 14.5976(4, c = 10.3666(3 Å , β = 98.231(2°, V = 1374.16(7 Å 3 and Z = 4.

  16. In-Situ Studies of Structure Transformation and Al Coordination of KAl(MoO42 during Heating by High Temperature Raman and 27Al NMR Spectroscopies

    Directory of Open Access Journals (Sweden)

    Min Wang

    2017-03-01

    Full Text Available Recent interest in optimizing composition and synthesis conditions of functional crystals, and the further exploration of new possible candidates for tunable solid-state lasers, has led to significant research on compounds in this family MIMIII(MVIO42 (MI = alkali metal, MIII = Al, In, Sc, Fe, Bi, lanthanide; MVI = Mo, W. The vibrational modes, structure transformation, and Al coordination of crystalline, glassy, and molten states of KAl(MoO42 have been investigated by in-situ high temperature Raman scattering and 27Al magic angle spinning nuclear magnetic resonance (MAS NMR spectroscopy, together with first principles density functional simulation of room temperature Raman spectrum. The results showed that, under the present fast quenching conditions, Al is present predominantly in [AlO6] octahedra in both KAl(MoO42 glass and melt, with the tetrahedrally coordinated Al being minor at approximately 2.7%. The effect of K+, from ordered arrangement in the crystal to random distribution in the melt, on the local chemical environment of Al, was also revealed. The distribution and quantitative analysis of different Al coordination subspecies are final discussed and found to be dependent on the thermal history of the glass samples.

  17. Convergence of barycentric coordinates to barycentric kernels

    KAUST Repository

    Kosinka, Jiří

    2016-02-12

    We investigate the close correspondence between barycentric coordinates and barycentric kernels from the point of view of the limit process when finer and finer polygons converge to a smooth convex domain. We show that any barycentric kernel is the limit of a set of barycentric coordinates and prove that the convergence rate is quadratic. Our convergence analysis extends naturally to barycentric interpolants and mappings induced by barycentric coordinates and kernels. We verify our theoretical convergence results numerically on several examples.

  18. Hamiltonization of theories with degenerate coordinates

    International Nuclear Information System (INIS)

    Gitman, D.M.; Tyutin, I.V.

    2002-01-01

    We consider a class of Lagrangian theories where part of the coordinates does not have any time derivatives in the Lagrange function (we call such coordinates degenerate). We advocate that it is reasonable to reconsider the conventional definition of singularity based on the usual Hessian and, moreover, to simplify the conventional hamiltonization procedure. In particular, in such a procedure, it is not necessary to complete the degenerate coordinates with the corresponding conjugate momenta

  19. EPOS for Coordination of Asynchronous Sensor Webs

    Data.gov (United States)

    National Aeronautics and Space Administration — Develop, integrate, and deploy software-based tools to coordinate asynchronous, distributed missions and optimize observation planning spanning simultaneous...

  20. Surface Coordination Chemistry of Metal Nanomaterials.

    Science.gov (United States)

    Liu, Pengxin; Qin, Ruixuan; Fu, Gang; Zheng, Nanfeng

    2017-02-15

    Surface coordination chemistry of nanomaterials deals with the chemistry on how ligands are coordinated on their surface metal atoms and influence their properties at the molecular level. This Perspective demonstrates that there is a strong link between surface coordination chemistry and the shape-controlled synthesis, and many intriguing surface properties of metal nanomaterials. While small adsorbates introduced in the synthesis can control the shapes of metal nanocrystals by minimizing their surface energy via preferential coordination on specific facets, surface ligands properly coordinated on metal nanoparticles readily promote their catalysis via steric interactions and electronic modifications. The difficulty in the research of surface coordination chemistry of nanomaterials mainly lies in the lack of effective tools to characterize their molecular surface coordination structures. Also highlighted are several model material systems that facilitate the characterizations of surface coordination structures, including ultrathin nanostructures, atomically precise metal nanoclusters, and atomically dispersed metal catalysts. With the understanding of surface coordination chemistry, the molecular mechanisms behind various important effects (e.g., promotional effect of surface ligands on catalysis, support effect in supported metal nanocatalysts) of metal nanomaterials are disclosed.

  1. Temperature dependent coordinating self-assembly.

    Science.gov (United States)

    Wang, Yijie; Gao, Xuedong; Xiao, Yunlong; Zhao, Qiang; Yang, Jiang; Yan, Yun; Huang, Jianbin

    2015-04-14

    Self-assemblies dominated by coordination interaction are hardly responsive to thermal stimuli. We show that in case the coordinating mode changes with temperature, the resultant assemblies also exhibit temperature dependence. The self-assemblies are constructed with perylene tetracarboxylate and metal ions. Compounds containing a perylene skeleton often self-assemble into micro-belts, which is also true for the combination of perylene tetracarboxylate and metal ions. However, a unique pinecone structure was observed upon increasing the temperature of the coordinating system. The structural transition is triggered by the change of coordinating mode between the carboxylate group and the metal ion. At low temperature, intermolecular coordination occurs which favours the growth of the coordinating self-assembly along the long axis of the perylene. However, upon the elevation of temperature, the coordination is overwhelmed by intra-molecular mode. This is against the extension of the coordinating assembly due to the loss of connection between neighbouring perylenes. As a result, the pinecone structure is observed. We expect that the cases introduced in this work may inspire the design of structurally controllable temperature-dependent soft materials based on coordinating self-assembly.

  2. Quantization in rotating co-ordinates revisited

    International Nuclear Information System (INIS)

    Hussain, F.; Qadir, A.

    1982-07-01

    Recent work on quantization in rotating co-ordinates showed that no radiation would be seen by an observer rotating with a constant angular speed. This work used a Galilean-type co-ordinate transformation. We show that the same result holds for a Lorentz-type co-ordinate system, in spite of the fact that the metric has a co-ordinate singularity at rΩ = 1. Further, we are able to define positive and negative energy modes for a particular case of a non-static, non-stationary metric. (author)

  3. Coordinating with the "Inner GPS".

    Science.gov (United States)

    Fenton, André A

    2015-06-01

    The 2014 Nobel Prize for Physiology or Medicine was awarded for the discoveries that have elucidated the components of the internal positioning system that is centered on the hippocampus and entorhinal cortex. Here I provide a less than objective discussion of the importance of these accomplishments to systems neuroscience. By identifying positioning components like place, direction, distance, borders and the like, the field is given the opportunity to have a shot at piecing together how these components are integrated into the synthetic positioning sense. We are also given what is in my view, the most experimentally accessible and therefore potentially understandable, cognitive representation. Lest we feel too confident in the completeness of our understanding, and to inspire redoubled curiosity, I briefly describe a preliminary observation from our work with the psychosis-inducing drug phencyclidine (PCP). While PCP does not disturb where individual place cells fire, it dramatically discoordinates how these cells discharge together in time. Trying to understand how the positioning component cells are coordinated to provide useful knowledge is an exciting and tenable problem to be working on. © 2015 Wiley Periodicals, Inc.

  4. In situ dehydration behavior of zeolite-like pentagonite: A single-crystal X-ray study

    International Nuclear Information System (INIS)

    Danisi, Rosa Micaela; Armbruster, Thomas; Lazic, Biljana

    2013-01-01

    The structural modifications upon heating of pentagonite, Ca(VO)(Si 4 O 10 )·4H 2 O (space group Ccm2 1 , a=10.3708(2), b=14.0643(2), c=8.97810(10) Å, V=1309.53(3) Å 3 ) were investigated by in situ temperature dependent single-crystal X-ray structure refinements. Diffraction data of a sample from Poona district (India) have been measured in steps of 25 up to 250 °C and in steps of 50 °C between 250 and 400 °C. Pentagonite has a porous framework structure made up by layers of silicate tetrahedra connected by V 4+ O 5 square pyramids. Ca and H 2 O molecules are extraframework occupants. Room temperature diffraction data allowed refinement of H positions. The hydrogen-bond system links the extraframework occupants to the silicate layers and also interconnects the H 2 O molecules located inside the channels. Ca is seven-fold coordinated forming four bonds to O of the tetrahedral framework and three bonds to extraframework H 2 O. The H 2 O molecule at O9 showing a high displacement parameter is not bonded to Ca. The dehydration in pentagonite proceeds in three steps. At 100 °C the H 2 O molecule at O8 was released while O9 moved towards Ca. As a consequence the displacement parameter of H 2 O at O9 halved compared to that at room temperature. The unit-cell volume decreased to 1287.33(3) Å 3 leading to a formula with 3H 2 O per formula unit (pfu). Ca remained seven-fold coordinated. At 175 °C Ca(VO)(Si 4 O 10 )·3H 2 O transformed into a new phase with 1H 2 O molecule pfu characterized by doubling of the c axis and the monoclinic space group Pn. Severe bending of specific T--O--T angles led to contraction of the porous three-dimensional framework. In addition, H 2 O at O9 was expelled while H 2 O at O7 approached a position in the center of the channel. The normalized volume decreased to 1069.44(9) Å 3 . The Ca coordination reduced from seven- to six-fold. At 225 °C a new anhydrous phase with space group Pna2 1 but without doubling of c had formed. Release of

  5. In situ dehydration behavior of zeolite-like pentagonite: A single-crystal X-ray study

    Energy Technology Data Exchange (ETDEWEB)

    Danisi, Rosa Micaela, E-mail: rosa.danisi@krist.unibe.ch [Mineralogical Crystallography, Institute of Geological Sciences, University of Bern, Freiestrasse 3, Bern CH-3012 (Switzerland); Armbruster, Thomas; Lazic, Biljana [Mineralogical Crystallography, Institute of Geological Sciences, University of Bern, Freiestrasse 3, Bern CH-3012 (Switzerland)

    2013-01-15

    The structural modifications upon heating of pentagonite, Ca(VO)(Si{sub 4}O{sub 10}){center_dot}4H{sub 2}O (space group Ccm2{sub 1}, a=10.3708(2), b=14.0643(2), c=8.97810(10) A, V=1309.53(3) A{sup 3}) were investigated by in situ temperature dependent single-crystal X-ray structure refinements. Diffraction data of a sample from Poona district (India) have been measured in steps of 25 up to 250 Degree-Sign C and in steps of 50 Degree-Sign C between 250 and 400 Degree-Sign C. Pentagonite has a porous framework structure made up by layers of silicate tetrahedra connected by V{sup 4+}O{sub 5} square pyramids. Ca and H{sub 2}O molecules are extraframework occupants. Room temperature diffraction data allowed refinement of H positions. The hydrogen-bond system links the extraframework occupants to the silicate layers and also interconnects the H{sub 2}O molecules located inside the channels. Ca is seven-fold coordinated forming four bonds to O of the tetrahedral framework and three bonds to extraframework H{sub 2}O. The H{sub 2}O molecule at O9 showing a high displacement parameter is not bonded to Ca. The dehydration in pentagonite proceeds in three steps. At 100 Degree-Sign C the H{sub 2}O molecule at O8 was released while O9 moved towards Ca. As a consequence the displacement parameter of H{sub 2}O at O9 halved compared to that at room temperature. The unit-cell volume decreased to 1287.33(3) A{sup 3} leading to a formula with 3H{sub 2}O per formula unit (pfu). Ca remained seven-fold coordinated. At 175 Degree-Sign C Ca(VO)(Si{sub 4}O{sub 10}){center_dot}3H{sub 2}O transformed into a new phase with 1H{sub 2}O molecule pfu characterized by doubling of the c axis and the monoclinic space group Pn. Severe bending of specific T--O--T angles led to contraction of the porous three-dimensional framework. In addition, H{sub 2}O at O9 was expelled while H{sub 2}O at O7 approached a position in the center of the channel. The normalized volume decreased to 1069.44(9) A{sup 3

  6. Three coordination compounds based on benzene tetracarboxylate ...

    Indian Academy of Sciences (India)

    YUNLONG WU

    tallization of coordination compounds,10,41–43 and this strategy was adopted for the reaction of H4btec and cobalt(II) metal salts in water with NaOH as base and pyridyl as auxiliary ligands. Structure difference in compounds 1–3 may be attributed to the different coordination modes of H4btec ligand as well as dif-.

  7. Coordinator, Evaluation Unit | IDRC - International Development ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Provide assistance to Unit staff in program, project and financial management for a budget of approximately $1M plus earmarked and special project funds;; Coordinate the Unit's administration of an average of 26 contractual agreements, coordinate arrangements for an average of 35 participant and consultant trips and 15 ...

  8. Vector Laplacian in general curvilinear coordinates

    International Nuclear Information System (INIS)

    Hirota, Isao; Chiyoda, Katsuji

    1982-01-01

    A number of coordinates are used for analyzing problems such as the colliding phenomena, magnetofluid dynamic equilibrium and stability of plasma or the analysis of magnetic field configuration, depending on each problem. Therefore, consideration on the vector analysis using general curvilinear coordinates is important in electro-magnetic field analysis. Vector Laplacian is normally defined using the vector equations proved in Descartes coordinates. The authors directly made meaningful the vector Laplacian using Hamilton operator in general curvilinear coordinates, and determined the equation with tensor. As a result, it was shown that the generally employed equation defining the vector Laplacian always holds in the general curvilinear coordinates, using the fact that the Riemann-Christoffel tensor becomes zero, which is the property of Euclidean space. The authors next expressed the vector Laplacian in general curvilinear coordinates in the definite and simplified form using covariant and contravariant vector components. As an example of the applications of vector Laplacian in general curvilinear coordinates, plasma magnetofluid dynamic equilibrium equation was considered. A general form of the equilibrium equation was determined for a symmetric system, that is, the system in which one coordinate can be omitted. This result was applied to the case of translational, axial and helical symmetry to demonstrate definite examples. (Wakatsuki, Y.)

  9. Coordinating Units at the Candy Depot

    Science.gov (United States)

    Norton, Anderson; Boyce, Steven; Hatch, Jennifer

    2015-01-01

    In general, units coordination refers to the relationships that students can maintain between various units when working within a numerical situation. It is critical that middle school students learn to coordinate three levels of units not only because of their importance in understanding fractions but also because of their implications for…

  10. Conventions and institutions in coordination problems

    NARCIS (Netherlands)

    van der Lecq, S.G.

    1996-01-01

    This survey article starts with a game-theory interpretation of coordination problems that occur in an economy. Three types of games are discussed in which the degree of coordination versus conflict varies. It is shown that game-theoretic techniques for equilibrium selection or securing the highest

  11. Self-triggered coordination with ternary controllers

    NARCIS (Netherlands)

    De Persis, Claudio; Frasca, Paolo

    2012-01-01

    This paper regards coordination of networked systems with ternary controllers. We develop a hybrid coordination system which implements a self-triggered communication policy, based on polling the neighbors upon need. We prove that the proposed scheme ensures finite-time convergence to a neighborhood

  12. 78 FR 73819 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2013-12-09

    ... Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of Cancellation. SUMMARY: The U.S. Department of Agriculture, Forest Service was required to cancel the October 17-18, 2013 meeting of the Forest Resource Coordinating Committee due to the Government partial shutdown...

  13. Motor Coordination and Intelligence Level in Adolescents

    Science.gov (United States)

    Planinsec, Jurij; Pisot, Rado

    2006-01-01

    This study investigated the relationship between motor coordination and intelligence level in adolescents. The sample was comprised of 550 adolescents from Slovenia, aged 13.1 years (SD = 0.87), who attended elementary schools. For assessment of motor coordination a battery of eight tests were used. Assessment of intelligence was carried out with…

  14. Energy Materials Coordinating Committee (EMaCC)

    Energy Technology Data Exchange (ETDEWEB)

    1991-05-31

    This report summarizes EMaCC activities for fiscal year 1990 and describes the materials research programs of various offices and divisions within the department. The DOE Energy Materials Coordinating Committee (EMaCC) serves primarily to enhance coordination among the Department's materials programs and to further the effective use of materials expertise within the department. (JL)

  15. Redundant internal coordinates, compliance constants and non ...

    Indian Academy of Sciences (India)

    Abstract. A long standing problem in normal mode analysis is identifying the right internal coordinates given only the cartesian coordinates, the masses of the atoms and the cartesian force constants without using any other additional chemical information. A possible solution is suggested here as drawing the normal modes.

  16. You're a "What"? Recycling Coordinator

    Science.gov (United States)

    Torpey, Elka Maria

    2011-01-01

    Recycling coordinators supervise curbside and dropoff recycling programs for municipal governments or private firms. Today, recycling is mandatory in many communities. And advancements in collection and processing methods have helped to increase the quantity of materials for which the recycling coordinator is responsible. In some communities,…

  17. Distributed Coordination of Household Electricity Consumption

    DEFF Research Database (Denmark)

    Juelsgaard, Morten; Teixeira, Andre; Johansson, Mikael

    2014-01-01

    This work presents a distributed framework for coordination of flexible electricity consumption for a number of households in the distribution grid. We conduct coordination with the purpose of minimizing a trade-off between individual concerns about discomfort and electricity cost, on the one hand...

  18. Records Coordinator | IDRC - International Development Research ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Job Summary Working within a team of information management specialists, the Records Coordinator is the front-line contact for Centre staff for access to the corporate Records Management system. The Records Coordinator maintains the active and semi-active records in the system for IDRC Headquarters and Regional ...

  19. Nucleobase assemblies supported by uranyl cation coordination ...

    Indian Academy of Sciences (India)

    The metal coordination through carboxylate pendant leads to the formation of dimeric assemblies, whereas the ... est to explore metal coordination and hydrogen bond-. ∗. For correspondence ing capability of adenine ... cally toxic element, uranium-containing samples must be handled with suitable care and protection.

  20. 40 CFR 35.272 - Funding coordination.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 1 2010-07-01 2010-07-01 false Funding coordination. 35.272 Section 35.272 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GRANTS AND OTHER FEDERAL ASSISTANCE....272 Funding coordination. Recipients must use the lead-based paint program funding in a way that...

  1. 40 CFR 35.691 - Funding coordination.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 1 2010-07-01 2010-07-01 false Funding coordination. 35.691 Section 35.691 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GRANTS AND OTHER FEDERAL ASSISTANCE...(g)) § 35.691 Funding coordination. Recipients must use the Lead-Based Paint program funding in a way...

  2. 40 CFR 233.31 - Coordination requirements.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Coordination requirements. 233.31 Section 233.31 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) OCEAN DUMPING 404 STATE PROGRAM REGULATIONS Program Operation § 233.31 Coordination requirements. (a) If a proposed...

  3. 7 CFR 624.5 - Coordination.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 6 2010-01-01 2010-01-01 false Coordination. 624.5 Section 624.5 Agriculture Regulations of the Department of Agriculture (Continued) NATURAL RESOURCES CONSERVATION SERVICE, DEPARTMENT OF AGRICULTURE WATER RESOURCES EMERGENCY WATERSHED PROTECTION § 624.5 Coordination. (a) If the President declares...

  4. Vendor-Buyer Coordination in Supply Chains

    NARCIS (Netherlands)

    H.J.J. Verheijen (Bas)

    2010-01-01

    textabstractCollaboration between firms in order to coordinate supply chain operations can lead to both strategic and operational benefits. Many advanced forms of collaboration arrangements between firms exist with the aim to coordinate supply chain decisions and to reap these benefits. This

  5. An Intrinsic Coordinate System for Fingerprint Matching

    NARCIS (Netherlands)

    Bazen, A.M.; Gerez, Sabih H.; Bigun, J.; Smeraldi, F.

    2001-01-01

    In this paper, an intrinsic coordinate system is proposed for fingerprints. First the fingerprint is partitioned in regular regions, which are regions that contain no singular points. In each regular region, the intrinsic coordinate system is defined by the directional field. When using the

  6. 28 CFR 42.412 - Coordination.

    Science.gov (United States)

    2010-07-01

    ... PROCEDURES Coordination of Enforcement of Non-discrimination in Federally Assisted Programs § 42.412 Coordination. (a) The Attorney General's authority under Executive Order 12250 is hereby delegated to the... under title VI. In addition, the Assistant Attorney General will routinely provide to the Director of...

  7. Coordinated School Health and the Contribution of a District Wellness Coordinator

    Science.gov (United States)

    Westrich, Lisa; Sanchez, Monika; Strobel, Karen

    2015-01-01

    Background: A San Francisco Bay Area school health initiative was established in fall 2010 to improve wellness programs in 4 local school districts using the Coordinated School Health (CSH) model. This study examines the role of district-wide wellness coordinators and the ways in which they contribute to intentional coordination of health and…

  8. Relational Coordination in Danish General Practice

    DEFF Research Database (Denmark)

    Lundstrøm, Sanne Lykke

    . The dissertation present the research study and a collection of three research papers prepared during the period from May 2010 to June 2014. Relational coordination and organisational social capital are measures of novel aspects of an organisation's performance. Relational coordination analyse the communication...... and relationship networks through which work is coordinated across functional and organisational boundaries. Previous studies have shown that relational coordination is positively associated with delivery of care for patients with chronic illness. Organisational social capital is used when analysing...... the psychosocial work environment in organisations, and is seen as a powerful resources for improving organisational performance. Relational coordination and organisational social capital may oer new insight and opportunities for general practice to learn. General practice provides cost-efficient, first...

  9. Machine Learning of Biomolecular Reaction Coordinates.

    Science.gov (United States)

    Brandt, Simon; Sittel, Florian; Ernst, Matthias; Stock, Gerhard

    2018-04-09

    We present a systematic approach to reduce the dimensionality of a complex molecular system. Starting with a data set of molecular coordinates (obtained from experiment or simulation) and an associated set of metastable conformational states (obtained from clustering the data), a supervised machine learning model is trained to assign unknown molecular structures to the set of metastable states. In this way, the model learns to determine the features of the molecular coordinates that are most important to discriminate the states. Using a new algorithm that exploits this feature importance via an iterative exclusion principle, we identify the essential internal coordinates (such as specific interatomic distances or dihedral angles) of the system, which are shown to represent versatile reaction coordinates that account for the dynamics of the slow degrees of freedom and explain the mechanism of the underlying processes. Moreover, these coordinates give rise to a free energy landscape that may reveal previously hidden intermediate states of the system.

  10. Coordinate metrology accuracy of systems and measurements

    CERN Document Server

    Sładek, Jerzy A

    2016-01-01

    This book focuses on effective methods for assessing the accuracy of both coordinate measuring systems and coordinate measurements. It mainly reports on original research work conducted by Sladek’s team at Cracow University of Technology’s Laboratory of Coordinate Metrology. The book describes the implementation of different methods, including artificial neural networks, the Matrix Method, the Monte Carlo method and the virtual CMM (Coordinate Measuring Machine), and demonstrates how these methods can be effectively used in practice to gauge the accuracy of coordinate measurements. Moreover, the book includes an introduction to the theory of measurement uncertainty and to key techniques for assessing measurement accuracy. All methods and tools are presented in detail, using suitable mathematical formulations and illustrated with numerous examples. The book fills an important gap in the literature, providing readers with an advanced text on a topic that has been rapidly developing in recent years. The book...

  11. Learning and coordinating in a multilayer network.

    Science.gov (United States)

    Lugo, Haydée; San Miguel, Maxi

    2015-01-14

    We introduce a two layer network model for social coordination incorporating two relevant ingredients: a) different networks of interaction to learn and to obtain a pay-off, and b) decision making processes based both on social and strategic motivations. Two populations of agents are distributed in two layers with intralayer learning processes and playing interlayer a coordination game. We find that the skepticism about the wisdom of crowd and the local connectivity are the driving forces to accomplish full coordination of the two populations, while polarized coordinated layers are only possible for all-to-all interactions. Local interactions also allow for full coordination in the socially efficient Pareto-dominant strategy in spite of being the riskier one.

  12. Modeling Coordination Problems in a Music Ensemble

    DEFF Research Database (Denmark)

    Frimodt-Møller, Søren R.

    2008-01-01

    This paper considers in general terms, how musicians are able to coordinate through rational choices in a situation of (temporary) doubt in an ensemble performance. A fictitious example involving a 5-bar development in an unknown piece of music is analyzed in terms of epistemic logic, more...... specifically a multi-agent system, where it is shown that perfect coordination can only be certain to take place if the musicians have common knowledge of certain rules of the composition. We subsequently argue, however, that the musicians need not agree on the central features of the piece of music in order...... to coordinate. Such coordination can be described in terms of Michael Bacharach's theory of variable frames as an aid to solve game theoretic coordination problems....

  13. Arm coordination in elite backstroke swimmers.

    Science.gov (United States)

    Chollet, Didier; Seifert, Ludovic M; Carter, Melwyn

    2008-05-01

    In this study, we assessed arm coordination in the backstroke over increasing speeds by adapting the index of coordination originally used in the front crawl. Fourteen elite male backstroke swimmers swam four trials of 25 m at the speeds corresponding to the 400-m, 200-m, 100-m, and 50-m events. The six phases of the arm stroke were identified by video analysis and then used to calculate the index of coordination, which corresponded to the time between the propulsive phases of the two arms. With increases in speed, the elite swimmers increased the stroke rate, the relative duration of their arm pull, and their index of coordination, and decreased the distance per stroke (P backstroke coordination, particularly in the hand's lag time at the thigh.

  14. Knowledge coordination in distributed software management

    DEFF Research Database (Denmark)

    Persson, John Stouby; Mathiassen, Lars

    2012-01-01

    Software organizations are increasingly relying on cross-organizational and cross-border collaboration, requiring effective coordination of distributed knowledge. However, such coordination is challenging due to spatial separation, diverging communities-of-practice, and unevenly distributed...... resources. We have therefore studied virtual meetings among the managers of a cross-organizational and cross-border joint venture who was highly dedicated to multimodal communication. Since coordination is most clearly noticeable when it is lacking, we investigated knowledge coordination by analyzing...... communication breakdowns on recordings of their combined teleconferencing and real-time collaborative modeling. As a result, we offer theoretical propositions that explain how distributed software managers can deal with communication breakdowns and effectively coordinate knowledge through multimodal virtual...

  15. Coordination systems for three-dimension radiation treatment planning

    International Nuclear Information System (INIS)

    Yang Dailun; Wu Zhangwen; Luo Zhengming

    2004-01-01

    This paper describes the coordination systems of a three dimension radiation treatment plan. The coordination systems refer to the body coordination, the isocenter coordination and the beam coordination. The authors have derived the analytical equations for coordination transforms, indicated the applications of the coordination systems, and provided corresponding treating means. With strict construction and perfect structure, the systems have an important significance for increasing the whole capability of a three dimension radiation treatment plan, and can be extensively and flexibly used. (authors)

  16. Relational coordination and healthcare management in lung cancer.

    Science.gov (United States)

    Romero, José Antonio Vinagre; Señarís, Juan Del Llano; Heredero, Carmen De Pablos; Nuijten, Mark

    2014-12-16

    In the current socio-economic scenario characterized by a growing shortage of resources and progressive budget constraints, the need to better coordinate processes in health institutions appears as a relevant aspect to ensure the future sustainability of system. In this sense, Relational Coordination (RC) provides a valuable opportunity for the reconfiguration of clinical guidelines concerning isolated single-level considerations. In this research the RC model has been applied to explain best results in the process of diagnosing and offering clinical treatments for lung cancer. Lung cancer presents the higher rates of tumor's mortality worldwide. Through unstructured and informal interviews with clinicians at both levels (Primary/Specialist Care), a diagnosis of the situation in relation to joint management of lung cancer is provided. Solutions of continuity in terms of coordination are explained due to the observation of lack of effective knowledge transfer between the two levels. It is this disconnection which justifies the introduction of a modified model of RC for the study and implementation of transfer relations between the knowledge holders, in order to structure consolidated and cooperative evidence-based models that lead to a substantial shortening in the response times with a marked outcomes improvement. To our knowledge, the application of this model to a Public Health problem bringing together both levels of care, hasn't been made till now.

  17. Interface Tracking Simulation of Drops Rising through Liquids in a Vertical Pipe Using Three Coordinate Systems

    Directory of Open Access Journals (Sweden)

    Kosuke Hayashi

    2010-03-01

    Full Text Available Interface tracking simulations of single drops rising through a vertical pipe are carried out using three coordinate systems, i.e. cylindrical, general curvilinear and Cartesian coordinates, to investigate the effects of coordinate system and spatial resolution on the accuracy of predictions. Experiments of single drops in a vertical pipe are also conducted to obtain experimental data for comparisons with simulations. The drop shape observed are spheroidal and deformed spheroidal at low values of the diameter ratio, Λ, of the sphere-volume equivalent diameter of a drop to the pipe diameter, whereas they take bullet-shapes at large Λ. The conclusions obtained are as follows: (1 the effects of coordinate system on drop shape are small at low Λ. At large Λ, the effects are also small for drops in a low viscosity system, whereas non-physical shape distortion takes place when the Cartesian coordinates are used with low spatial resolution for drops in a high viscosity system, and (2 the drop terminal velocity and the velocity profile in the liquid film between a bullet-shaped drop and a pipe wall are well predicted using all the coordinate systems tested even at low spatial resolution.

  18. Sensory Motor Coordination in Robonaut

    Science.gov (United States)

    Peters, Richard Alan, II

    2003-01-01

    As a participant of the year 2000 NASA Summer Faculty Fellowship Program, I worked with the engineers of the Dexterous Robotics Laboratory at NASA Johnson Space Center on the Robonaut project. The Robonaut is an articulated torso with two dexterous arms, left and right five-fingered hands, and a head with cameras mounted on an articulated neck. This advanced space robot, now driven only teleoperatively using VR gloves, sensors and helmets, is to be upgraded to a thinking system that can find, interact with and assist humans autonomously, allowing the Crew to work with Robonaut as a (junior) member of their team. Thus, the work performed this summer was toward the goal of enabling Robonaut to operate autonomously as an intelligent assistant to astronauts. Our underlying hypothesis is that a robot can develop intelligence if it learns a set of basic behaviors (i.e., reflexes - actions tightly coupled to sensing) and through experience learns how to sequence these to solve problems or to accomplish higher-level tasks. We describe our approach to the automatic acquisition of basic behaviors as learning sensory-motor coordination (SMC). Although research in the ontogenesis of animals development from the time of conception) supports the approach of learning SMC as the foundation for intelligent, autonomous behavior, we do not know whether it will prove viable for the development of autonomy in robots. The first step in testing the hypothesis is to determine if SMC can be learned by the robot. To do this, we have taken advantage of Robonaut's teleoperated control system. When a person teleoperates Robonaut, the person's own SMC causes the robot to act purposefully. If the sensory signals that the robot detects during teleoperation are recorded over several repetitions of the same task, it should be possible through signal analysis to identify the sensory-motor couplings that accompany purposeful motion. In this report, reasons for suspecting SMC as the basis for

  19. Movement constraints on interpersonal coordination and communication.

    Science.gov (United States)

    Tolston, Michael T; Shockley, Kevin; Riley, Michael A; Richardson, Michael J

    2014-10-01

    The present study investigated how constraining movement affects interpersonal coordination and joint cognitive performance. Pairs of participants worked cooperatively to solve picture-puzzle tasks in which they conversed to identify differences between pictures in 3 degree-of-constraint conditions: both participants were free to move their hands (free-free; FF); both participants' hands were restrained (restrained-restrained; RR); and the hands of 1 participant were free while the hands of the other participant were restrained (free-restrained; FR). Eye tracking data were collected, and movement was measured at the waist, hand, and head. Data were analyzed using Cross-Recurrence Quantification Analysis (CRQ). Postural sway coordination, gaze coordination, and task performance were predicted to be highest in FF, followed by RR, and then by FR. Results showed the asymmetric FR condition generally exhibited lesser degrees of coordination than the symmetric Conditions FF and RR, and that the patterning of coordination in the symmetric conditions varied across the measured body segments. These results demonstrate that movement restraints affect not only interpersonal postural coordination, but also joint attention. Additionally, significant positive relationships were found between task performance and total amount of anterior-posterior movement measured at the head, hand and waist; number of utterances; and number of differences pairs found in the puzzles. These findings indicate a relationship between movement and task performance consistent with the hypotheses that both interpersonal coordination and cognitive performance are sensitive to local action constraints.

  20. Synthesis, Structure, and Properties of BaGe 2: A Study of Tetrahedral Cluster Packing and Other Three-Connected Nets in Zintl Phases

    Science.gov (United States)

    Vaughey, J. T.; Miller, Gordon J.; Gravelle, Steven; Alejandro Leon-Escamilla, E.; Corbett, John D.

    1997-11-01

    BaGe2crystallizes in the BaSi2structure type; space groupPnma(No. 62);a=9.078(3) Å,b=6.829(2) Å,c=11.653(3) Å;Z=8;R=0.022;Rw=0.025 (I>3σ(I)) for 542 reflections with 2θmax=50° measured on a single-crystal diffractometer. Magnetic susceptibility measurements confirm its closed shell behavior (diamagnetic), and electrical resistivity measurements place a lower bound on its room temperature resistivity at ca. 1 mΩ·cm. Lattice energy calculations rationalize the observed packing arrangement of [Ge4]4-tetrahedra and Ba2+cations, while extended Hückel calculations are utilized to compare the electronic structures of various three-connected nets common to Zintl ions with five valence electrons per atom.

  1. 9th Conference on Coordinate Measuring Machines

    DEFF Research Database (Denmark)

    De Chiffre, Leonardo; Dorph, Pernille

    2001-01-01

    This one-day conference on coordinate measuring machines is the 9th in a row of conferences organised in connection with the Danish CMM Club, a users’ group regarding CMMs that has existed in Denmark since 1994. The Danish CMM Club was founded by the Department of Manufacturing Engineering...... termination of the second lifetime cycle of the club. This conference treates the traceability of geometrical measurements with particular reference to those obtained using coordinate measuring machines. A number of on-going activities and new achievements in coordinate metrology are presented by European...

  2. Conceptual Coordination Bridges Information Processing and Neurophysiology

    Science.gov (United States)

    Clancey, William J.; Norrig, Peter (Technical Monitor)

    2000-01-01

    Information processing theories of memory and skills can be reformulated in terms of how categories are physically and temporally related, a process called conceptual coordination. Dreaming can then be understood as a story understanding process in which two mechanisms found in everyday comprehension are missing: conceiving sequences (chunking categories in time as a categorization) and coordinating across modalities (e.g., relating the sound of a word and the image of its meaning). On this basis, we can readily identify isomorphisms between dream phenomenology and neurophysiology, and explain the function of dreaming as facilitating future coordination of sequential, cross-modal categorization (i.e., REM sleep lowers activation thresholds, "unlearning").

  3. Perceptuo-motor compatibility governs multisensory integration in bimanual coordination dynamics.

    Science.gov (United States)

    Zelic, Gregory; Mottet, Denis; Lagarde, Julien

    2016-02-01

    The brain has the remarkable ability to bind together inputs from different sensory origin into a coherent percept. Behavioral benefits can result from such ability, e.g., a person typically responds faster and more accurately to cross-modal stimuli than to unimodal stimuli. To date, it is, however, largely unknown whether such multisensory benefits, shown for discrete reactive behaviors, generalize to the continuous coordination of movements. The present study addressed multisensory integration from the perspective of bimanual coordination dynamics, where the perceptual activity no longer triggers a single response but continuously guides the motor action. The task consisted in coordinating anti-symmetrically the continuous flexion-extension of the index fingers, while synchronizing with an external pacer. Three different configurations of metronome were tested, for which we examined whether a cross-modal pacing (audio-tactile beats) improved the stability of the coordination in comparison with unimodal pacing condition (auditory or tactile beats). We found a more stable bimanual coordination for cross-modal pacing, but only when the metronome configuration directly matched the anti-symmetric coordination pattern. We conclude that multisensory integration can benefit the continuous coordination of movements; however, this is constrained by whether the perceptual and motor activities match in space and time.

  4. Factors of successful movement coordination in students with mild intellectual disability

    Directory of Open Access Journals (Sweden)

    Japundža-Milisavljević Mirjana

    2016-01-01

    Full Text Available There are many studies on the assessment of factors which determine the quality of making movements, including coordination and precision. Basic and complex motor activities directly depend on neuropsychological abilities. Researchers in this field point to significant factors which indicate successful coordination of movements, however, only few tried to single out the most important one. The main aim of this research was to determine whether there was a relation between spatial orientation, attention, and verbal memory in movement coordination, and which of the mentioned functions had the greatest influence on coordination and precision of movements in students with mild intellectual disability. Seventy three participants, aged between 7 and 12, were assessed by Ball-Foot-Wall Test for the assessment of coordination and precision of movements, Cancellation Task for attention vigilance assessment, Beter-Cragin Test for spatial orientation, and Rey Auditory Verbal Learning Test for the assessment of verbal memory and forced recognition. The obtained results showed that the most significant factors of movement coordination were forced recognition β=0.269; p=0.046, attention vigilance β=0.256; p=0.051 and spatial orientation (β=0.246; p=0.057. Practical implications point out the necessity of designing educational coordination training with the aim to increase students' potential to make movements.

  5. Ligand design for alkali-metal-templated self-assembly of unique high-nuclearity CuII aggregates with diverse coordination cage units: crystal structures and properties.

    Science.gov (United States)

    Du, Miao; Bu, Xian-He; Guo, Ya-Mei; Ribas, Joan

    2004-03-19

    The construction of two unique, high-nuclearity Cu(II) supramolecular aggregates with tetrahedral or octahedral cage units, [(mu(3)-Cl)[Li subset Cu(4)(mu-L(1))(3)](3)](ClO(4))(8)(H(2)O)(4.5) (1) and [[Na(2) subset Cu(12)(mu-L(2))(8)(mu-Cl)(4)](ClO(4))(8)(H(2)O)(10)(H(3)O(+))(2)](infinity) (2) by alkali-metal-templated (Li(+) or Na(+)) self-assembly, was achieved by the use of two newly designed carboxylic-functionalized diazamesocyclic ligands, N,N'-bis(3-propionyloxy)-1,4-diazacycloheptane (H(2)L(1)) or 1,5-diazacyclooctane-N,N'-diacetate acid (H(2)L(2)). Complex 1 crystallizes in the trigonal R3c space group (a = b = 20.866(3), c = 126.26(4) A and Z = 12), and 2 in the triclinic P1 space group (a = 13.632(4), b = 14.754(4), c = 19.517(6) A, alpha = 99.836(6), beta = 95.793(5), gamma = 116.124(5) degrees and Z = 1). By subtle variation of the ligand structures and the alkali-metal templates, different polymeric motifs were obtained: a dodecanuclear architecture 1 consisting of three Cu(4) tetrahedral cage units with a Li(+) template, and a supramolecular chain 2 consisting of two crystallographically nonequivalent octahedral Cu(6) polyhedra with a Na(+) template. The effects of ligand functionality and alkali metal template ions on the self-assembly processes of both coordination supramolecular aggregates, and their magnetic behaviors are discussed in detail.

  6. Solid-state polymerisation via [2+2] cycloaddition reaction involving coordination polymers.

    Science.gov (United States)

    Medishetty, Raghavender; Park, In-Hyeok; Lee, Shim Sung; Vittal, Jagadese J

    2016-03-14

    Highly crystalline metal ions containing organic polymers are potentially useful to manipulate the magnetic and optical properties to make advanced multifunctional materials. However, it is challenging to synthesise monocrystalline metal complexes of organic polymers and single-phase hybrid materials made up of both coordination and organic polymers by traditional solution crystallisation. This requires an entirely different approach in the solid-state by thermal or photo polymerisation of the ligands. Among the photochemical methods available, [2+2] cycloaddition reaction has been recently employed to generate cyclobutane based coordination polymers from the metal complexes. Cyclobutane polymers have also been integrated into coordination polymers in this way. Recent advancements in the construction of polymeric chains of cyclobutane rings through photo-dimerisation reaction in the monocrystalline solids containing metal complexes, coordination polymers and metal-organic framework structures are discussed here.

  7. An initial demonstration of hierarchically porous niobium alkylphosphonates coordination polymers as potent radioanalytical separation materials.

    Science.gov (United States)

    Lv, Kai; Yang, Chu-Ting; Han, Jun; Hu, Sheng; Wang, Xiao-Lin

    2017-06-30

    Combining the merits of soft-templating and perchlorate oxidation methods, the first-case investigation of niobium alkylphosphonates has uncovered their unique morphology, backbone composition, thermal behavior and huge potentiality as radioanalytical separation materials. These hierarchically porous solids are random aggregates of densely stacked nanolayers perforated with worm-like holes or vesicular voids, manifesting the massif-, tower-like "polymer brush" elevated up to ∼150nm driven by the minimal surface free energy principle. These coordination polymers consist of distorted niobium (V) ions strongly linked with tetrahedral alkylphosphonate building units, exposing uncoordinated phosphonate moieties and defective metal sites. Despite the amorphous features, they demonstrate multimodal porosity covering continuous micropores, segregated mesopores and fractional macropores, beneficial for the sequestration by active Lewis acid-base center. Evidenced by the maximum distribution coefficients of thorium, lanthanides reaching 9.0×10 4 , 9.5×10 4 mLg -1 and large separation factor at pH≤1 20-element cocktail, this category of niobium alkylphosphonates are capable of harvesting thorium, lanthanides directly from the radionuclide surrogate, comparable to or even surpass the performance of the metal (IV) arylphosphonates counterparts. They also display appreciable SF Eu/Sm ∼20 in 1molL -1 HNO 3 , shedding light on dual approaches to achieve the isolation of americium from curium. A combinatorial radioanalytical separation protocol has been proposed to enrich thorium and europium, revealing facile utilization of these highly stable, phosphonated hybrids in sustainable development of radioanalytical separation. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Silver Cation Coordination Study to AsW9 Ligand – A Trilacunar Arsenotungstate Compound

    Directory of Open Access Journals (Sweden)

    Berta Lavinia

    2017-06-01

    Full Text Available Objective: The main objective of this research is to find the coordination ratio between AsW9 and Ag+, as a preliminary study for synthesizing a new silver-arsenotungstate complex. Material and method: The ligand:cation molar ratio in complexes was determined by conductometric and potentiometric titrations of AsW9 with silver salts: CH3COOAg, AgNO3. Results: The ratio was obtained from the inflexion points of the curves when molar ratio was plotted versus conductivity, or from the equivalence point when silver added volume was plotted versus pH value. Each graphic shows one point of inflexion corresponding to 1:1.54 ratio of AsW9:Ag+. In the same manner, the equivalent volumes determined by graphical method gave the ratio 1:1.53. The spectral results confirmed that a AsW9:Ag+ complex was formed since the ligand absorption maxima values have been changed from 190 nm to 197 nm in the case of using AgNO3 and 196 nm for CH3COOAg corresponding to the W=Od bond, and from 246.5 nm to 274 nm (AgNO3 and 270 nm (CH3COO-Ag+ for the W-Ob,c-W bond. Conclusions: Silver cation exhibit a preference for AsW9 in a ratio of 3 to 2. This ratio can be associated to a sandwich type arrangement, with two trilacunary Keggin building blocks incorporating 3 metal cations in a tetrahedral geometry.

  9. Coordination Nature of 4-Mercaptoaniline to Sn(II Ion: Formation of a One Dimensional Coordination Polymer and Its Decomposition to a Mono Nuclear Sn(IV Complex

    Directory of Open Access Journals (Sweden)

    Eon S. Burkett

    2014-12-01

    Full Text Available The coordination of the bifunctional ligand 4-mercaptoaniline with aqueo us tin(II metal ion was studied. A coordination polymer was synthesized when an aqueous solution of SnCl2 was treated with 4-MA. The crystalline material is stable under atmospheric conditions retaining its oxidation state. However, when submerged in a solution saturated with oxygen, the compound oxidizes to a mononuclear tin(IV complex. Both the compounds were characterized by single crystal X-ray diffraction studies. Although the structure of the tin(IV complex was previously reported, crystal structure of this compound was redetermined.

  10. Coordination diversity of new mononuclear ONS hydrazone with transition metals: Synthesis, characterization, molecular modeling and antimicrobial studies

    Science.gov (United States)

    Adly, Omima M. I.; Taha, A.

    2013-04-01

    The mononuclear hydrazone ligand, H2L, a condensation product of 4-amino-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one with 2-hydroxy-1-naphthaldehyde and its metal chelates of Cu(II), Ni(II), Co(II), Zn(II), Cd(II), VO(IV) and UO2(VI) ions were synthesized and characterized using elemental analyses, spectral, magnetic and molar conductance studies as well as thermal gravimetric analysis (TGA). The physico-chemical studies support that the ligand acts as mono- or dibasic tridentate ONS donor toward metal ions forming a mononuclear square planar, tetrahedral, square pyramidal and octahedral geometrical arrangements except UO2(VI) complex in which the metal ion is octa-coordinated. The ligand field parameters, Dq, B and β values, in the case of the cobalt and nickel complexes are calculated. The kinetics of the thermal decomposition for some metal complexes studied and their thermodynamic parameters were reported. Structural parameters of the ligand and its metal chelates have been calculated and correlated with the experimental data. The ligand and its metal chelates were screened for their antimicrobial activity against Staphylococcus aureus and Bacillus subtilis as Gram-positive bacteria, Escherichia coli and Salmonella typhimurium as Gram-negative bacteria and Candida albicans as fungus strain.

  11. Effect of hippotherapy in the global motor coordination in individuals with Down Syndrome

    Directory of Open Access Journals (Sweden)

    Valéria Sovat de Freitas Costa

    Full Text Available Abstract Introduction: Down syndrome (DS of all genetic syndromes is the most common. In Hippotherapy, three-dimensional movements, provided by horse walking, awaken in the body of children with DS a large amount of sensory and neuromuscular stimuli, which directly interfere with overall development and the acquisition of motor skills. Objective: To analyze the effects of an Hippotherapy program on global motor coordination variables in individuals with DS of both genders and to compare individuals with the same syndrome who do not practice Hippotherapy. Methods: 41 individuals participated in the study, 20 of them practicing Hippotherapy (EG and 21 who did not practice Hippotherapy (CG. The Körperkoordinations test für Kinder (KTK test was used, consisting of four tasks: Balance on beams, Single-lever jump, Side-jump and Transfer on platform for analysis of motor coordination for individuals. Results: Comparing the groups, a significant difference (p < 0.01 was observed for the Lateral Leap Motor Quotient, the EG presented a better score (114.10 than the CG (88.47, and also in the Total Motor Ratio (EG = 115.10, GC = 102.47. The individuals that practice Hippotherapy presented better results in the global motor coordination, with significant difference (p < 0.05. In EG, 5% had high global motor coordination, 40% good and 55% normal, whereas in CG only 10% had good global motor coordination and 90% normal global motor coordination. Conclusion: It can be emphasized that equine therapy presents benefits of improvement in global motor coordination. Specifically in tasks such as the balance beam, single jump and side jump, besides global motor coordination.

  12. Second sphere coordination in anion binding: Synthesis, characterization of [Co(phen) 2CO 3]X· nH 2O where X = o-nitrophenolate(onp), p-nitrophenolate(pnp), 2,4-dinitrophenolate(dnp), 2,4,6-trinitrophenolate(tnp) and single crystal X-ray structures of [Co(phen) 2CO 3](onp)·2H 2O and [Co(phen) 2CO 3](dnp)·4.5H 2O

    Science.gov (United States)

    Singh, Ajnesh; Sharma, Raj Pal; Brandão, Paula; Félix, Vitor; Venugopalan, Paloth

    2008-12-01

    In an effort to utilize [Co(phen) 2CO 3] + cation as a new host for mono-, di- and tri-substituted nitrophenolate anions, red coloured crystals of composition [Co(phen) 2CO 3](onp)·2H 2O, [Co(phen) 2CO 3](pnp), orange coloured precipitated product of [Co(phen) 2CO 3](dnp)·4.5H 2O (which gave red coloured crystals from acetone-water mixture) and orange-yellow coloured precipitated product of [Co(phen) 2CO 3](tnp) were obtained in good yields by reacting sodium salts of o-nitrophenol, p-nitrophenol 2,4-dinitrophenol and 2,4,6-trinitrophenol with [Co(phen) 2CO 3]Cl·5H 2O, respectively in 1:1 molar ratio in aqueous medium. These cobalt(III) complex salts have been characterized by elemental analyses, spectroscopic techniques (UV/Visible, IR and NMR) and conductance measurements. Single crystal X-ray structure determination of [Co(phen) 2CO 3](onp)·2H 2O and [Co(phen) 2CO 3](dnp)·4.5H 2O revealed the presence of discrete ions and lattice water molecules in the solid state. A strong network of hydrogen bond interactions through the weak second sphere coordination (C sbnd H…O (phenolate), C sbnd H…O (nitro), and strong interactions of type O sbnd H…O (water) besides the electrostatic interactions play a very important role in stabilizing the crystal lattice. The studies indicated that complex cation, [Co(phen) 2CO 3] + may preferentially bind nitrophenolate ions in the aqueous medium.

  13. Anatomic breast coordinate system for mammogram analysis

    DEFF Research Database (Denmark)

    Karemore, Gopal; Brandt, S.; Karssemeijer, N.

    2011-01-01

    inside the breast. Most of the risk assessment and CAD modules use a breast region in a image centered Cartesian x,y coordinate system. Nevertheless, anatomical structure follows curve-linear trajectories. We examined an anatomical breast coordinate system that preserves the anatomical correspondence...... between the mammograms and allows extracting not only the aligned position but also the orientation aligned with the anatomy of the breast tissue structure. Materials and Methods The coordinate system used the nipple location as the point A and the border of the pectoral muscle as a line BC. The skin air...... interface was identified as a curve passing through A and intersecting the pectoral muscle line. The nipple was defined as the origin of the coordinate system. A family of second order curves were defined through the nipple and intersecting the pectoral line (AD). Every pixel location in mammogram...

  14. Multiple Sensor Platform Coordination Using Stigmergy

    National Research Council Canada - National Science Library

    Richey, Barrett

    1998-01-01

    The current investigation explores the use of a biological technique, known as Stigmergy, to coordinate semi-autonomous surveillance platforms during search operations such as in the case of Unmanned Aerial Vehicles (UAVs...

  15. Relative coordinates of coherent electron pair

    Science.gov (United States)

    Usenko, Constantin V.; Cherkashyna, Nataliia O.

    2008-03-01

    It is shown that relative coordinate and momentum of coherent electron pair have the meaning of observables with the help of quadrupole and magnetic moments. Distributions of quadrupole terms of scalar potential are shown. These distributions have nonclassical properties.

  16. Value-Oriented Coordination Process Modeling

    NARCIS (Netherlands)

    Fatemi, Hassan; van Sinderen, Marten J.; Wieringa, Roelf J.; Hull, Richard; Mendling, Jan; Tai, Stefan

    Business webs are collections of enterprises designed to jointly satisfy a consumer need. Designing business webs calls for modeling the collaboration of enterprises from different perspectives, in particular the business value and coordination process perspectives, and for mutually aligning these

  17. The Schwarzschild metric: It's the coordinates, stupid!

    Science.gov (United States)

    Fromholz, Pierre; Poisson, Eric; Will, Clifford M.

    2014-04-01

    Every general relativity textbook emphasizes that coordinates have no physical meaning. Nevertheless, a coordinate choice must be made in order to carry out real calculations, and that choice can make the difference between a calculation that is simple and one that is a mess. We give a concrete illustration of the maxim that "coordinates matter" using the exact Schwarzschild solution for a vacuum, static spherical spacetime. We review the standard textbook derivation, Schwarzschild's original 1916 derivation, and a derivation using the Landau-Lifshitz formulation of the Einstein field equations. The last derivation is much more complicated, has one aspect for which we have been unable to find a solution, and gives an explicit illustration of the fact that the Schwarzschild geometry can be described in infinitely many coordinate systems.

  18. Circuit board hole coordinate locator concept

    Science.gov (United States)

    Samuel, L. W.

    1969-01-01

    Fixed light source registers the x and y coordinates of holes in a fixed opaque template. A first surface parabolic mirror and a set of photocells are used to detect the passage of light through the individual holes.

  19. Coordinate transformation approach to social interactions.

    Science.gov (United States)

    Chang, Steve W C

    2013-01-01

    A coordinate transformation framework for understanding how neurons compute sensorimotor behaviors has generated significant advances toward our understanding of basic brain function. This influential scaffold focuses on neuronal encoding of spatial information represented in different coordinate systems (e.g., eye-centered, hand-centered) and how multiple brain regions partake in transforming these signals in order to ultimately generate a motor output. A powerful analogy can be drawn from the coordinate transformation framework to better elucidate how the nervous system computes cognitive variables for social behavior. Of particular relevance is how the brain represents information with respect to oneself and other individuals, such as in reward outcome assignment during social exchanges, in order to influence social decisions. In this article, I outline how the coordinate transformation framework can help guide our understanding of neural computations resulting in social interactions. Implications for numerous psychiatric disorders with impaired representations of self and others are also discussed.

  20. Selective Placement Program Coordinator (SPPC) Directory

    Data.gov (United States)

    Office of Personnel Management — List of the Selective Placement Program Coordinators (SPPC) in Federal agencies, updated as needed. Users can filter the list by choosing a state and/or agency name.

  1. Coordinated Specialty Care Fact Sheet and Checklist

    Science.gov (United States)

    ... Checklist Share Coordinated Specialty Care Fact Sheet and Checklist Download PDF Download ePub Order a free hardcopy ... webpage: http://www.nimh.nih.gov/raise . CSC Checklist If you are interested in a CSC program, ...

  2. Unraveling interlimb interactions underlying bimanual coordination

    NARCIS (Netherlands)

    Ridderikhoff, A.; Daffertshofer, A.; Peper, C.E.; Beek, P.J.

    2005-01-01

    Three sources of interlimb interactions have been postulated to underlie the stability characteristics of bimanual coordination but have never been evaluated in conjunction: integrated timing of feedforward control signals, phase entrainment by contralateral afference, and timing corrections based

  3. Three coordination compounds based on benzene tetracarboxylate ...

    Indian Academy of Sciences (India)

    YUNLONG WU

    Three coordination compounds based on benzene tetracarboxylate ligand: syntheses, structures, thermal behaviors and luminescence properties. YUNLONG WU, CHANGKUN XIA, JUN QIAN and JIMIN XIE. ∗. School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013,. People's Republic of ...

  4. Bilateral Coordination of Children who are Blind.

    Science.gov (United States)

    Rutkowska, Izabela; Lieberman, Lauren J; Bednarczuk, Grzegorz; Molik, Bartosz; Kazimierska-Kowalewska, Kalina; Marszałek, Jolanta; Gómez-Ruano, Miguel-Ángel

    2016-04-01

    The purpose of this study was to evaluate the bilateral coordination in children and adolescents with visual impairments aged 7 to 18 years in comparison to their sighted peers. An additional objective was to identify the influence of sex and age on bilateral coordination. Seventy-five individuals with congenital severe visual impairment (40 girls and 35 boys) comprised the visually impaired group. The Sighted group comprised 139 youth without visual impairment. Subtest 4 of the Bruininks-Oseretsky Test of Motor Proficiency was administered to test bilateral coordination. To analyze the effect of the independent variables in the results obtained in the Subtest 4, four linear regression models were applied according to group and sex. The results indicated that severe visual impairment and lack of visual sensation had a negative effect on the development of participants' bilateral coordination, which however did not depend on sex or age. © The Author(s) 2016.

  5. Spectral Networks and Fenchel-Nielsen Coordinates

    Science.gov (United States)

    Hollands, Lotte; Neitzke, Andrew

    2016-06-01

    It is known that spectral networks naturally induce certain coordinate systems on moduli spaces of flat SL( K)-connections on surfaces, previously studied by Fock and Goncharov. We give a self-contained account of this story in the case K = 2 and explain how it can be extended to incorporate the complexified Fenchel-Nielsen coordinates. As we review, the key ingredient in the story is a procedure for passing between moduli of flat SL(2)-connections on C (equipped with a little extra structure) and moduli of equivariant GL(1)-connections over a covering {Σ to C}; taking holonomies of the equivariant GL(1)-connections then gives the desired coordinate systems on moduli of SL(2)-connections. There are two special types of spectral network, related to ideal triangulations and pants decompositions of C; these two types of network lead to Fock-Goncharov and complexified Fenchel-Nielsen coordinate systems, respectively.

  6. HYbrid Coordinate Ocean Model (HYCOM): Global

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Global HYbrid Coordinate Ocean Model (HYCOM) and U.S. Navy Coupled Ocean Data Assimilation (NCODA) 3-day, daily forecast at approximately 9-km (1/12-degree)...

  7. Coordinate invariance in stochastic singular optics

    CSIR Research Space (South Africa)

    Roux, FS

    2013-11-01

    Full Text Available in terms of singlets of the SO(2) group that represents the coordinate rotations, resulting in expressions that are significantly simpler. We also show that the singlets can help to identify relationships among the different quantities....

  8. Coordination Approaches for Complex Software Systems

    NARCIS (Netherlands)

    Bosse, T.; Hoogendoorn, M.; Treur, J.

    2006-01-01

    This document presents the results of a collaboration between the Vrije Universiteit Amsterdam, Department of Artificial Intelligence and Force Vision to investigate coordination approaches for complex software systems. The project was funded by Force Vision.

  9. Towards reduction of Paradigm coordination models

    NARCIS (Netherlands)

    S. Andova; L.P.J. Groenewegen; E.P. de Vink (Erik Peter); L. Aceto (Luca); M.R. Mousavi

    2011-01-01

    htmlabstractThe coordination modelling language Paradigm addresses collaboration between components in terms of dynamic constraints. Within a Paradigm model, component dynamics are consistently specified at a detailed and a global level of abstraction. To enable automated verification of Paradigm

  10. Coordination in Distributed Intelligent Systems Applications

    Science.gov (United States)

    2009-12-13

    benefits in per- formance or efficiency can be derived through the coordination between multiple agents. In other words, the collective behaviour of the...18 2 health care industry, distributed multi-agent system coordination concepts have been prototyped to support the monitoring and treatment of...A simple example of the interaction between buyer and seller agents is described through the use ofCPNs. The buyer agent initiates the negotiation

  11. The Lanthanide Contraction beyond Coordination Chemistry.

    Science.gov (United States)

    Ferru, Geoffroy; Reinhart, Benjamin; Bera, Mrinal K; Olvera de la Cruz, Monica; Qiao, Baofu; Ellis, Ross J

    2016-05-10

    The lanthanide contraction is conceptualized traditionally through coordination chemistry. Here we break this mold in a structural study of lanthanide ions dissolved in an amphiphilic liquid. The lanthanide contraction perturbs the weak interactions between molecular aggregates that drive mesoscale assembly and emergent behavior. The weak interactions correlate with lanthanide ion transport properties, suggesting new strategies for rare-earth separation that exploit forces outside of the coordination sphere. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Trends in coordination and transmission service

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    Investor-owned utilities increasingly are taking significant advantage of the benefits available from coordination transactions and transmission service. This chapter describes Edison Electric Institute (EEI's) estimate as to the growth in sales-for-resale (including coordination service) over the past two decades. With respect to transmission service, this chapter describes the significant growth in both the level of transmission service and the number of transmission agreements

  13. Co-ordinating Product Developing Activities

    DEFF Research Database (Denmark)

    Terkelsen, Søren Bendix

    1996-01-01

    The paper contains a presentation of research methods to be used in case studies in product development and a presentation on how to deal with Design Co-ordination according to litterature......The paper contains a presentation of research methods to be used in case studies in product development and a presentation on how to deal with Design Co-ordination according to litterature...

  14. Traceability and uncertainty estimation in coordinate metrology

    DEFF Research Database (Denmark)

    Hansen, Hans Nørgaard; Savio, Enrico; De Chiffre, Leonardo

    2001-01-01

    National and international standards have defined performance verification procedures for coordinate measuring machines (CMMs) that typically involve their ability to measure calibrated lengths and to a certain extent form. It is recognised that, without further analysis or testing, these results...... are required. Depending on the requirements for uncertainty level, different approaches may be adopted to achieve traceability. Especially in the case of complex measurement situations and workpieces the procedures are not trivial. This paper discusses the establishment of traceability in coordinate metrology...

  15. ANIONS FUNCTIONS IN TRANSITION METALS COORDINATION COMPOUNDS

    Directory of Open Access Journals (Sweden)

    T. V. Koksharova

    2016-04-01

    Full Text Available The effect of anions on the structure and properties of coordination compounds of transition metals has been discussed. The examples of changes in the composition of the formed complexes by replacement of the anion are given: metal ratio to a neutral ligand, the composition of the inner sphere, the direction of template synthesis. Anions can determine the presence of isomers in complexes with different ligands. Examples of conformational, ionization isomerism, inner sphere bond isomerization are given. The nature of the coordination polyhedron is highly sensitive to the replacement of the anion too. Examples of coordination compounds where the anion change causes a change in coordination capacity of neutral ligands and the strength of their bonds with the metal, coordination number and geometry of the inner sphere, the organization of molecular structures (the structure of the hydrogen bond networks and the degree of polymerization, crystal packing. The anions significantly affect the binding of the solvent molecules, complexes magnetic and luminescent properties, they can change the compound color, the mechanisms of thermolysis. Anions make a very noticeable influence on possible redox processes following the complexation in some cases. Anions in the coordination sphere can change catalytic and biochemical processes as well as the ways of interaction of metal ions with drugs.

  16. The Influence of Telepathology on Coordination Practices.

    Science.gov (United States)

    Meyer, Julien; Paré, Guy

    2018-01-03

    Coordination between physicians and allied professionals is essential to the effective delivery of care services and is associated with positive patient outcomes. As information technology can radically transform how professionals collaborate, both researchers and healthcare accreditation bodies are devoting a growing interest to the means of achieving better coordination. The primary aim of this study is to explain the extent to which and how coordination practices between pathologists, technologists, and surgeons are transformed when telepathology is being implemented. An interpretive case study was conducted. A total of 60 semistructured interviews with key participants were conducted, in addition to several days of direct observation of telepathology-based intraoperative consultations (IOCs). Three major kinds of transformation of coordination practices were observed. First, the telepathology system itself constrains and disrupts coordination routines, such as the presentation of slides. Second, anticipating IOC, proactively performed by the laboratory personnel in traditional settings, requires more formal requests in a telepathology context. Third, local technologists become more autonomous in performing complex macroscopy manipulations and managing the laboratory tasks traditionally performed by pathologists. Successful coordination of work in a telepathology-based IOC context requires that significant transformations be anticipated and accounted for. Project managers need to formalize new work processes, support the transformations in professional roles, and mitigate the major hindrances that small material changes may have on work routines.

  17. Coordinated supply chain dynamic production planning model

    Science.gov (United States)

    Chandra, Charu; Grabis, Janis

    2001-10-01

    Coordination of different and often contradicting interests of individual supply chain members is one of the important issues in supply chain management because the individual members can not succeed without success of the supply chain and vice versa. This paper investigates a supply chain dynamic production planning problem with emphasis on coordination. A planning problem is formally described using a supply chain kernel, which defines supply chain configuration, management policies, available resources and objectives both at supply chain or macro and supply chain member or micro levels. The coordinated model is solved in order to balance decisions made at the macro and micro levels and members' profitability is used as the coordination criterion. The coordinated model is used to determine inventory levels and production capacity across the supply chain. Application of the coordinated model distributes costs burden uniformly among supply chain members and preserves overall efficiency of the supply chain. Influence of the demand series uncertainty is investigated. The production planning model is a part of the integrated supply chain decision modeling system, which is shared among the supply chain members across the Internet.

  18. Symmetries of Trautman retarded radial coordinates

    Science.gov (United States)

    Kolanowski, Maciej; Lewandowski, Jerzy

    2018-02-01

    We consider spacetime described by an observer that uses a Trautman retarded radial coordinate system. Given a metric tensor, we find all the local symmetries of the coordinates. They set a 10D family that can be parametrized by Poincaré algebra. This result is similar to the symmetries of an observer using the Gaussian normal spacetime radial coordinates and experiencing algebra deformation induced by the spacetime Riemann tensor. A new, surprising property of the retarded coordinates is a generic lack of smoothness in the symmetries. We show that, in general, the symmetries are not twice differentiable. In other words, a family of smooth symmetries is smaller than in the Gaussian normal spacetime coordinate case. We demonstrate examples of that non-smoothness and find the necessary conditions for the differentiability to the second order. We also discuss the consequences and relevance of that result for the geometric relational observables program. One can interpret our result by the fact that Trautman coordinates provide gauge conditions stronger than the Gaussian spacetime radial gauge.

  19. A rational route to SCM materials based on a 1-D cobalt selenocyanato coordination polymer.

    Science.gov (United States)

    Boeckmann, Jan; Näther, Christian

    2011-07-07

    Thermal annealing of a discrete complex with terminal SeCN anions and monodentate coligands enforces the formation of a 1D cobalt selenocyanato coordination polymer that shows slow relaxation of the magnetization. Therefore, this approach offers a rational route to 1D materials that might show single chain magnetic behaviour. This journal is © The Royal Society of Chemistry 2011

  20. Coercing bisphosphonates to kill cancer cells with nanoscale coordination Q2 polymers†

    OpenAIRE

    Liu, Demin; Kramer, Stephanie A.; Huxford-Phillips, Rachel C.; Wang, Shunzhi; Rocca, Joseph Della; Lin, Wenbin

    2012-01-01

    Nanoscale coordination polymers containing exceptionally high loadings of bisphosphonates were coated with single lipid bilayers to control the drug release kinetics and functionalized with a targeting ligand to endow cell-targeting capability, leading to much enhanced cytotoxicity against human lung and pancreatic cancer cells.

  1. How Students Learn from Multiple Contexts and Definitions: Proper Time as a Coordination Class

    Science.gov (United States)

    Levrini, Olivia; diSessa, Andrea A.

    2008-01-01

    This article provides an empirical analysis of a single classroom episode in which students reveal difficulties with the concept of proper time in special relativity but slowly make progress in improving their understanding. The theoretical framework used is "coordination class theory," which is an evolving model of concepts and conceptual change.…

  2. Chemical Principles Revisited: Some Aspects of Coordination Chemistry.

    Science.gov (United States)

    Mickey, Charles D.

    1981-01-01

    Reviews characteristics of coordination chemistry, the study of coordination compounds, a major focal point for the inorganic chemist. Provides a brief history regarding the Wernerian System and background information in modern coordination theory. (CS)

  3. Coordinations between gene modules control the operation of plant amino acid metabolic networks

    Directory of Open Access Journals (Sweden)

    Galili Gad

    2009-01-01

    Full Text Available Abstract Background Being sessile organisms, plants should adjust their metabolism to dynamic changes in their environment. Such adjustments need particular coordination in branched metabolic networks in which a given metabolite can be converted into multiple other metabolites via different enzymatic chains. In the present report, we developed a novel "Gene Coordination" bioinformatics approach and use it to elucidate adjustable transcriptional interactions of two branched amino acid metabolic networks in plants in response to environmental stresses, using publicly available microarray results. Results Using our "Gene Coordination" approach, we have identified in Arabidopsis plants two oppositely regulated groups of "highly coordinated" genes within the branched Asp-family network of Arabidopsis plants, which metabolizes the amino acids Lys, Met, Thr, Ile and Gly, as well as a single group of "highly coordinated" genes within the branched aromatic amino acid metabolic network, which metabolizes the amino acids Trp, Phe and Tyr. These genes possess highly coordinated adjustable negative and positive expression responses to various stress cues, which apparently regulate adjustable metabolic shifts between competing branches of these networks. We also provide evidence implying that these highly coordinated genes are central to impose intra- and inter-network interactions between the Asp-family and aromatic amino acid metabolic networks as well as differential system interactions with other growth promoting and stress-associated genome-wide genes. Conclusion Our novel Gene Coordination elucidates that branched amino acid metabolic networks in plants are regulated by specific groups of highly coordinated genes that possess adjustable intra-network, inter-network and genome-wide transcriptional interactions. We also hypothesize that such transcriptional interactions enable regulatory metabolic adjustments needed for adaptation to the stresses.

  4. A single-source solid-precursor method for making eco-friendly doped semiconductor nanoparticles emitting multi-color luminescence.

    Science.gov (United States)

    Manzoor, K; Aditya, V; Vadera, S R; Kumar, N; Kutty, T R N

    2007-02-01

    A novel synthesis method is presented for the preparation of eco-friendly, doped semiconductor nanocrystals encapsulated within oxide-shells, both formed sequentially from a single-source solid-precursor. Highly luminescent ZnS nanoparticles, in situ doped with Cu(+)-Al3+ pairs and encapsulated with ZnO shells are prepared by the thermal decomposition of a solid-precursor compound, zinc sulfato-thiourea-oxyhydroxide, showing layered crystal structure. The precursor compound is prepared by an aqueous wet-chemical reaction involving necessary chemical reagents required for the precipitation, doping and inorganic surface capping of the nanoparticles. The elemental analysis (C, H, N, S, O, Zn), quantitative estimation of different chemical groups (SO4(2-) and NH4(-)) and infrared studies suggested that the precursor compound is formed by the intercalation of thiourea, and/or its derivatives thiocarbamate (CSNH2(-)), dithiocarbamate (CS2NH2(-)), etc., and ammonia into the gallery space of zinc-sulfato-oxyhydroxide corbel where the Zn(II) ions are both in the octahedral as well as tetrahedral coordination in the ratio 3 : 2 and the dopant ions are incorporated within octahedral voids. The powder X-ray diffraction of precursor compound shows high intensity basal reflection corresponding to the large lattice-plane spacing of d = 11.23 angstroms and the Rietveld analysis suggested orthorhombic structure with a = 9.71 angstroms, b = 12.48 angstroms, c = 26.43 angstroms, and beta = 90 degrees. Transmission electron microscopy studies show the presence of micrometer sized acicular monocrystallites with prismatic platy morphology. Controlled thermolysis of the solid-precursor at 70-110 degrees C leads to the collapse of layered structure due to the hydrolysis of interlayer thiourea molecules or its derivatives and the S2- ions liberated thereby reacts with the tetrahedral Zn(II) atoms leading to the precipitation of ZnS nanoparticles at the gallery space. During this process

  5. 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.

  6. Coordination Chemistry of Microbial Iron Transport.

    Science.gov (United States)

    Raymond, Kenneth N; Allred, Benjamin E; Sia, Allyson K

    2015-09-15

    This Account focuses on the coordination chemistry of the microbial iron chelators called siderophores. The initial research (early 1970s) focused on simple analogs of siderophores, which included hydroxamate, catecholate, or hydroxycarboxylate ligands. The subsequent work increasingly focused on the transport of siderophores and their microbial iron transport. Since these are pseudo-octahedral complexes often composed of bidentate ligands, there is chirality at the metal center that in principle is independent of the ligand chirality. It has been shown in many cases that chiral recognition of the complex occurs. Many techniques have been used to elucidate the iron uptake processes in both Gram-positive (single membrane) and Gram-negative (double membrane) bacteria. These have included the use of radioactive labels (of ligand, metal, or both), kinetically inert metal complexes, and Mössbauer spectroscopy. In general, siderophore recognition and transport involves receptors that recognize the metal chelate portion of the iron-siderophore complex. A second, to date less commonly found, mechanism called the siderophore shuttle involves the receptor binding an apo-siderophore. Since one of the primary ways that microbes compete with each other for iron stores is the strength of their competing siderophore complexes, it became important early on to characterize the solution thermodynamics of these species. Since the acidity of siderophores varies significantly, just the stability constant does not give a direct measure of the relative competitive strength of binding. For this reason, the pM value is compared. The pM, like pH, is a measure of the negative log of the free metal ion concentration, typically calculated at pH 7.4, and standard total concentrations of metal and ligand. The characterization of the electronic structure of ferric siderophores has done much to help explain the high stability of these complexes. A new chapter in siderophore science has emerged

  7. Electronic and optical properties of the LiCdX (X = N, P, As and Sb) filled-tetrahedral compounds with the Tran–Blaha modified Becke–Johnson density functional

    International Nuclear Information System (INIS)

    Bouhemadou, A.; Bin-Omran, S.; Allali, D.; Al-Otaibi, S.M.; Khenata, R.; Al-Douri, Y.; Chegaar, M.; Reshak, A.H.

    2015-01-01

    Highlights: • Electronic and optical properties of the LiCdX compounds have been predicted. • Tran–Blaha-modified Becke–Johnson functional significantly improves the band gap. • We predict a direct band gap in all of the considered LiCdX compounds. • Origin of the peaks in the optical spectra is determined. - Abstract: The structural, electronic and optical properties of the LiCdN, LiCdP, LiCdAs and LiCdSb filled-tetrahedral compounds have been explored from first-principles. The calculated structural parameters are consistent with the available experimental results. Since DFT with the common LDA and GGA underestimates the band gap, we use a new developed functional able to accurately describe the electronic structure of semiconductors, namely the Tran–Blaha-modified Becke–Johnson potential. The four investigated compounds demonstrate semiconducting behavior with direct band gap ranging from about 0.32 to 1.65 eV. The charge-carrier effective masses are evaluated at the topmost valence band and at the bottommost conduction band. The evolution of the value and nature of the energy band gap under pressure effect is also investigated. The frequency-dependent complex dielectric function and some macroscopic optical constants are estimated. The microscopic origins of the structures in the optical spectra are determined in terms of the calculated energy band structures

  8. Electronic and optical properties of the LiCdX (X = N, P, As and Sb) filled-tetrahedral compounds with the Tran–Blaha modified Becke–Johnson density functional

    Energy Technology Data Exchange (ETDEWEB)

    Bouhemadou, A., E-mail: a_bouhemadou@yahoo.fr [Laboratory for Developing New Materials and their Characterization, University of Setif 1, Setif 19000 (Algeria); Bin-Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Department of Physics, Faculty of Science & Humanitarian Studies, Salman Bin Abdalaziz University, Alkharj 11942 (Saudi Arabia); Allali, D. [Laboratory for Developing New Materials and their Characterization, University of Setif 1, Setif 19000 (Algeria); Al-Otaibi, S.M. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Mascara 29000 (Algeria); Al-Douri, Y. [Institute of Nano Electronic Engineering, Universiti Malaysia Perlis, Kangar, Perlis 01000 (Malaysia); Chegaar, M. [Department of Physics, Faculty of Science, University of Setif 1, Setif 19000 (Algeria); Reshak, A.H. [New Technologies-Research Center, University of West Bohemia, Univerzitni 8, Pilson 306 14 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, Kangar, Perlis 01007 (Malaysia)

    2015-04-15

    Highlights: • Electronic and optical properties of the LiCdX compounds have been predicted. • Tran–Blaha-modified Becke–Johnson functional significantly improves the band gap. • We predict a direct band gap in all of the considered LiCdX compounds. • Origin of the peaks in the optical spectra is determined. - Abstract: The structural, electronic and optical properties of the LiCdN, LiCdP, LiCdAs and LiCdSb filled-tetrahedral compounds have been explored from first-principles. The calculated structural parameters are consistent with the available experimental results. Since DFT with the common LDA and GGA underestimates the band gap, we use a new developed functional able to accurately describe the electronic structure of semiconductors, namely the Tran–Blaha-modified Becke–Johnson potential. The four investigated compounds demonstrate semiconducting behavior with direct band gap ranging from about 0.32 to 1.65 eV. The charge-carrier effective masses are evaluated at the topmost valence band and at the bottommost conduction band. The evolution of the value and nature of the energy band gap under pressure effect is also investigated. The frequency-dependent complex dielectric function and some macroscopic optical constants are estimated. The microscopic origins of the structures in the optical spectra are determined in terms of the calculated energy band structures.

  9. 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.

  10. Postural Coordination during Socio-motor Improvisation.

    Science.gov (United States)

    Gueugnon, Mathieu; Salesse, Robin N; Coste, Alexandre; Zhao, Zhong; Bardy, Benoît G; Marin, Ludovic

    2016-01-01

    Human interaction often relies on socio-motor improvisation. Creating unprepared movements during social interaction is not a random process but relies on rules of synchronization. These situations do not only involve people to be coordinated, but also require the adjustment of their posture in order to maintain balance and support movements. The present study investigated posture in such a context. More precisely, we first evaluated the impact of amplitude and complexity of arm movements on posture in solo situation. Then, we assessed the impact of interpersonal coordination on posture using the mirror game in which dyads performed improvised and synchronized movements (i.e., duo situation). Posture was measured through ankle-hip coordination in medio-lateral and antero-posterior directions (ML and AP respectively). Our results revealed the spontaneous emergence of in-phase pattern in ML direction and antiphase pattern in AP direction for solo and duo situations. These two patterns respectively refer to the simultaneous flexion/extension of the ankles and the hips in the same or opposite direction. It suggests different functional roles of postural coordination patterns in each direction, with in-phase supporting task performance in ML (dynamical stability) and antiphase supporting postural control in AP (mechanical stability). Although amplitude of movement did not influence posture, movement complexity disturbed postural stability in both directions. Conversely, interpersonal coordination promoted postural stability in ML but not in AP direction. These results are discussed in terms of the difference in coupling strength between ankle-hip coordination and interpersonal coordination.

  11. Communicating Processes with Data for Supervisory Coordination

    Directory of Open Access Journals (Sweden)

    Jasen Markovski

    2012-08-01

    Full Text Available We employ supervisory controllers to safely coordinate high-level discrete(-event behavior of distributed components of complex systems. Supervisory controllers observe discrete-event system behavior, make a decision on allowed activities, and communicate the control signals to the involved parties. Models of the supervisory controllers can be automatically synthesized based on formal models of the system components and a formalization of the safe coordination (control requirements. Based on the obtained models, code generation can be used to implement the supervisory controllers in software, on a PLC, or an embedded (microprocessor. In this article, we develop a process theory with data that supports a model-based systems engineering framework for supervisory coordination. We employ communication to distinguish between the different flows of information, i.e., observation and supervision, whereas we employ data to specify the coordination requirements more compactly, and to increase the expressivity of the framework. To illustrate the framework, we remodel an industrial case study involving coordination of maintenance procedures of a printing process of a high-tech Oce printer.

  12. Mechanics of metal-catecholate complexes: The roles of coordination state and metal types

    Science.gov (United States)

    Xu, Zhiping

    2013-01-01

    There have been growing evidences for the critical roles of metal-coordination complexes in defining structural and mechanical properties of unmineralized biological materials, including hardness, toughness, and abrasion resistance. Their dynamic (e.g. pH-responsive, self-healable, reversible) properties inspire promising applications of synthetic materials following this concept. However, mechanics of these coordination crosslinks, which lays the ground for predictive and rational material design, has not yet been well addressed. Here we present a first-principles study of representative coordination complexes between metals and catechols. The results show that these crosslinks offer stiffness and strength near a covalent bond, which strongly depend on the coordination state and type of metals. This dependence is discussed by analyzing the nature of bonding between metals and catechols. The responsive mechanics of metal-coordination is further mapped from the single-molecule level to a networked material. The results presented here provide fundamental understanding and principles for material selection in metal-coordination-based applications. PMID:24107799

  13. Syntheses, structures and photoelectric properties of a series of Cd(II)/Zn(II) coordination polymers and coordination supramolecules

    International Nuclear Information System (INIS)

    Jin Jing; Han Xiao; Meng Qin; Li Dan; Chi Yuxian; Niu Shuyun

    2013-01-01

    Five Cd(II)/Zn(II) complexes [Cd(1,2-bdc)(pz) 2 (H 2 O)] n (1), [Cd1Cd2(btec)(H 2 O) 6 ] n (2), [Cd(3,4-pdc) (H 2 O)] n (3), [Zn(2,5-pdc)(H 2 O) 4 ]·2H 2 O (4) and { [Zn(2,5-pdc)(H 2 O) 2 ]·H 2 O} n (5) (H 2 bdc=1,2-benzenedicarboxylic acid, pz=pyrazole, H 4 btec=1,2,4,5-benzenetetracarboxylic acid, H 2 pdc=pyridine-dicarboxylic acid) were hydrothermally synthesized and characterized by single-crystal X-ray diffraction, surface photovoltage spectroscopy, XRD, TG analysis, IR and UV–vis spectra and elemental analysis. Structural analyses show that complexes 1–3 are 1D, 2D and 3D Cd(II) coordination polymers, respectively. Complex 4 is a mononuclear Zn(II) complex. Complex 5 is a 3D Zn(II) coordination polymer. The surface photoelectric properties of complexes were investigated by SPS. The results indicate that all complexes exhibit photoelectric responses in the range of 300–600 nm, which reveals that they all possess certain photoelectric conversion properties. By the comparative analyses, it can be found that the species and coordination micro-environment of central metal ion, the species and property of ligands affect the intensity and scope of photoelectric response. - Graphical abstract: Five Cd(II)/Zn(II) complexes have been hydrothermally synthesized and characterized. The photoelectric properties were studied with SPS. The species and coordination micro-environment of central metal ion, the species and property of ligands all affect the photoelectric responses. Highlights: ► Five Cd/Zn complexes have been synthesized and characterized. ► The SPS results indicate they possess obvious photoelectric conversion property. ► The species and coordination environment of central metal ion affect SPS. ► The species and property of ligands affect SPS. ► By the energy-band theory and the crystal filed theory, the SPS are analyzed and assigned.

  14. Obesity and Motor Coordination Ability in Taiwanese Children with and without Developmental Coordination Disorder

    Science.gov (United States)

    Zhu, Yi-Ching; Wu, Sheng K.; Cairney, John

    2011-01-01

    The purpose of this study was to investigate the associations between obesity and motor coordination ability in Taiwanese children with and without developmental coordination disorder (DCD). 2029 children (1078 boys, 951 girls) aged nine to ten years were chosen randomly from 14 elementary schools across Taiwan. We used bioelectrical impedance…

  15. Coordinated Voltage Control of Active Distribution Network

    Directory of Open Access Journals (Sweden)

    Xie Jiang

    2016-01-01

    Full Text Available This paper presents a centralized coordinated voltage control method for active distribution network to solve off-limit problem of voltage after incorporation of distributed generation (DG. The proposed method consists of two parts, it coordinated primal-dual interior point method-based voltage regulation schemes of DG reactive powers and capacitors with centralized on-load tap changer (OLTC controlling method which utilizes system’s maximum and minimum voltages, to improve the qualified rate of voltage and reduce the operation numbers of OLTC. The proposed coordination has considered the cost of capacitors. The method is tested using a radial edited IEEE-33 nodes distribution network which is modelled using MATLAB.

  16. Coordinate transformation by minimizing correlations between parameters

    Science.gov (United States)

    Kumar, M.

    1972-01-01

    This investigation was to determine the transformation parameters (three rotations, three translations and a scale factor) between two Cartesian coordinate systems from sets of coordinates given in both systems. The objective was the determination of well separated transformation parameters with reduced correlations between each other, a problem especially relevant when the sets of coordinates are not well distributed. The above objective is achieved by preliminarily determining the three rotational parameters and the scale factor from the respective direction cosines and chord distances (these being independent of the translation parameters) between the common points, and then computing all the seven parameters from a solution in which the rotations and the scale factor are entered as weighted constraints according to their variances and covariances obtained in the preliminary solutions. Numerical tests involving two geodetic reference systems were performed to evaluate the effectiveness of this approach.

  17. Politics of coordination in environmental health

    DEFF Research Database (Denmark)

    Holm, Jesper; Kjærgård, Bente; Jelsøe, Erling

    2015-01-01

    Environment and health are deeply rooted into each other, which we are reminded of now and then when major hazards like the Fukushima nuclear accident occur, or when scientific discovery reveals that certain persistent health problems as declining sperm counts of men, are embedded in environmental...... on environmental policy integration, for studying the efforts and paradoxes in sector co-ordination, in order to reflect on the pro et cons of integrative approaches to environment and public health. We will give an overview of the various approaches to coordinative efforts from an international to a national...... conditions. Since mid-1980´s a growing number of sector co-ordination efforts between public health and environmental policy sectors have emerged in EU and nationally, which also have been present in the sustainable development and health promotion policies. In local projects, policies, and international...

  18. Polysulfide coordination clusters of the lanthanides

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Ying-Zhao; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W. [Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Karlsruhe (Germany); Konchenko, Sergey N. [Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Karlsruhe (Germany); Nikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk (Russian Federation); Novosibirsk State University (Russian Federation)

    2017-10-16

    The reaction of [(DippForm){sub 2}Ln(thf){sub 2}] with an excess of elemental sulfur in toluene resulted in the formation of the trinuclear polysulfide coordination clusters [(DippForm){sub 3}Ln{sub 3}S{sub 12}] (Ln=Sm, Yb; DippForm=N,N'-bis(2,6-diisopropylphenyl)formamidinate). These are the first f element coordination clusters (Ln{sub n}S{sub x}) with a larger polysulfide unit (n and x>2). The formation of the coordination clusters can be rationalized by the reductive cleavage of S{sub 8} with divalent lanthanides. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. TRUCE: A Coordination Action for Unconventional Computation

    DEFF Research Database (Denmark)

    Amos, M.; Stepney, S.; Doursat, R.

    2012-01-01

    , or mixtures of the two) as well as new paradigms which, for example, support combined information processing and material production (as living systems do). UCOMP researchers draw inspiration from a wide and diverse range of sources, from physics, to chemistry, biology and ecology. The field is growing...... and creative approaches, conceptual frameworks, mechanisms and perspectives. UCOMP offers one route towards this. TRUCE is a coordination action to help organize the international UCOMP community. The inherent diversity of the field has led to fragmentation, with many sub-fields developing in parallel....... With large-scale project support now being offered by the European Commission, the time is precisely right to organize and coordinate the field at the European level. This coordination action will engage the European community (and beyond), construct the first UCOMP roadmap, reach out to a wider public...

  20. Conflict as driver of pluricentric coordination

    DEFF Research Database (Denmark)

    Sørensen, Eva

    2014-01-01

    Governance theory and planning theory share a tendency to either overlook the role of conflicts in coordination processes or view them as a disruptive force that must be modified or neutralized. In effect, there is little research into the productive role of conflicts in constructing...... and reconstructing the institutional conditions that make coordination possible. The productive role of conflicts is particularly visible in times of radical change that calls for a recasting of the sedimented world views and practices of the involved actors, as well as the relationship between them. A case study...... of the formation of new pluricentric regional governance arenas in Denmark provides important insights into how conflicts contribute to a gradual recasting of the institutional conditions that make coordination possible....

  1. Gross motor coordination in junior tennis players.

    Science.gov (United States)

    Söğüt, Mustafa

    2016-11-01

    The purpose of this study was twofold: (1) to determine the gross motor coordination performance levels of junior tennis players and (2) to analyse the effects of age and gender. Participants were junior male (n = 50) and female (n = 51) tennis players aged 6-14. Körperkoordinationstest für Kinder (KTK) was used to assess the gross motor coordination of the participants. Results revealed that none of the participants performed lower than normal level in motor coordination. Besides, 40.6% of the participants performed above normal level. No gender differences were found on all subtests of KTK and also on total motor quotient. Although older players performed better on each test than their younger counterparts for the raw scores, no significant age effect was observed on motor quotient scores among different age groups.

  2. Coordination on networks: does topology matter?

    Directory of Open Access Journals (Sweden)

    Alberto Antonioni

    Full Text Available Effective coordination is key to many situations that affect the well-being of two or more humans. Social coordination can be studied in coordination games between individuals located on networks of contacts. We study the behavior of humans in the laboratory when they play the Stag Hunt game - a game that has a risky but socially efficient equilibrium and an inefficient but safe equilibrium. We contrast behavior on a cliquish network to behavior on a random network. The cliquish network is highly clustered and resembles more closely to actual social networks than the random network. In contrast to simulations, we find that human players dynamics do not converge to the efficient outcome more often in the cliquish network than in the random network. Subjects do not use pure myopic best-reply as an individual update rule. Numerical simulations agree with laboratory results once we implement the actual individual updating rule that human subjects use in our laboratory experiments.

  3. Cooperative Optimal Coordination for Distributed Energy Resources

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Tao; Wu, Di; Ren, Wei; Wang, Hong; Hong, Yiguang; Johansson, Karl

    2017-12-12

    In this paper, we consider the optimal coordination problem for distributed energy resources (DERs) including distributed generators and energy storage devices. We propose an algorithm based on the push-sum and gradient method to optimally coordinate storage devices and distributed generators in a distributed manner. In the proposed algorithm, each DER only maintains a set of variables and updates them through information exchange with a few neighbors over a time-varying directed communication network. We show that the proposed distributed algorithm solves the optimal DER coordination problem if the time-varying directed communication network is uniformly jointly strongly connected, which is a mild condition on the connectivity of communication topologies. The proposed distributed algorithm is illustrated and validated by numerical simulations.

  4. Impaired Visual Motor Coordination in Obese Adults.

    LENUS (Irish Health Repository)

    Gaul, David

    2016-09-01

    Objective. To investigate whether obesity alters the sensory motor integration process and movement outcome during a visual rhythmic coordination task. Methods. 88 participants (44 obese and 44 matched control) sat on a chair equipped with a wrist pendulum oscillating in the sagittal plane. The task was to swing the pendulum in synchrony with a moving visual stimulus displayed on a screen. Results. Obese participants demonstrated significantly (p < 0.01) higher values for continuous relative phase (CRP) indicating poorer level of coordination, increased movement variability (p < 0.05), and a larger amplitude (p < 0.05) than their healthy weight counterparts. Conclusion. These results highlight the existence of visual sensory integration deficiencies for obese participants. The obese group have greater difficulty in synchronizing their movement with a visual stimulus. Considering that visual motor coordination is an essential component of many activities of daily living, any impairment could significantly affect quality of life.

  5. Coordination: Neural, Behavioral and Social Dynamics

    CERN Document Server

    Fuchs, Armin

    2008-01-01

    One of the most striking features of Coordination Dynamics is its interdisciplinary character. The problems we are trying to solve in this field range from behavioral phenomena of interlimb coordination and coordination between stimuli and movements (perception-action tasks) through neural activation patterns that can be observed during these tasks to clinical applications and social behavior. It is not surprising that close collaboration among scientists from different fields as psychology, kinesiology, neurology and even physics are imperative to deal with the enormous difficulties we are facing when we try to understand a system as complex as the human brain. The chapters in this volume are not simply write-ups of the lectures given by the experts at the meeting but are written in a way that they give sufficient introductory information to be comprehensible and useful for all interested scientists and students.

  6. Non-commutativity in polar coordinates

    Energy Technology Data Exchange (ETDEWEB)

    Edwards, James P. [Universidad Michoacana de San Nicolas de Hidalgo, Ciudad Universitaria, Instituto de Fisica y Matematicas, Morelia, Michoacan (Mexico)

    2017-05-15

    We reconsider the fundamental commutation relations for non-commutative R{sup 2} described in polar coordinates with non-commutativity parameter θ. Previous analysis found that the natural transition from Cartesian coordinates to the traditional polar system led to a representation of [r, φ] as an everywhere diverging series. In this article we compute the Borel resummation of this series, showing that it can subsequently be extended throughout parameter space and hence provide an interpretation of this commutator. Our analysis provides a complete solution for arbitrary r and θ that reproduces the earlier calculations at lowest order and benefits from being generally applicable to problems in a two-dimensional non-commutative space. We compare our results to previous literature in the (pseudo-)commuting limit, finding a surprising spatial dependence for the coordinate commutator when θ >> r{sup 2}. Finally, we raise some questions for future study in light of this progress. (orig.)

  7. TIARA: Toward accelerator R&D coordination

    CERN Multimedia

    Anaïs Schaeffer

    2011-01-01

    The preparatory phase of the TIARA (Test Infrastructure and Accelerator Research Area) project has begun. In January, members from 11 research institutes in 8 European countries began a three-year collaboration intended to enhance, improve and structure R&D efforts in the area of accelerator science and technology in Europe.   Partly funded by the European Commission under its Seventh Framework Programme (FP7), the TIARA project is being coordinated by the CEA (Commissariat à l’Énergie Atomique et aux Energies Alternatives). “The aim of the project is to arrive at an organisational structure that will provide coordination for R&D efforts and associated infrastructures in the field of particle accelerators in Europe,” explains the CEA’s Céline Tanguy, project coordinator assistant. “The new structure, which we hope will be a durable one, will be set up at the end of the project’s preparatory phase....

  8. IAEA Co-ordinated Research Program (CRP)

    International Nuclear Information System (INIS)

    Schrenk, M.

    2010-01-01

    The Coordinated Research Project is a topical collection of research agreements and contracts. The research contracts are awarded with financial support of about 10-20% of the total contract cost. Among the activities of the project is the organization of consultant group meetings and workshops involving several international experts and representatives of users and developers of border radiation monitoring equipment. The project also supports in coordinating the development of equipment and techniques for up-to-date border monitoring and in establishing of a process for providing nuclear forensics support to member states

  9. Collective motion and the generator coordinate method

    International Nuclear Information System (INIS)

    Passos, E.J.V. de

    1981-01-01

    The generator coordinate method is used to construct a collective subspace of the many-body Hylbert space. The construction is based on the analysis of the properties of the overlaps of the generator states. Some well-known misbehaviours of the generator coordinate weight functions are clearly identified as of kinematical origin. A standard orthonormal representation in the collective subspace is introduced which eliminates them. It is also indicated how appropriate collective dynamical variables can be defined a posteriori. To illustrate the properties of the collective subspaces applications are made to a) translational invariant overlap kernels b) to one and two-conjugate parameter families of generator states. (Author) [pt

  10. Trust and Coordination in Offshore Outsourcing

    DEFF Research Database (Denmark)

    Tøth, Thomas

    2013-01-01

    the implementation of handover meetings affected Danish employees' perception of their Indian counterparts in terms of work attitude, competence and reliability - and ultimately how these handover meetings increased the Danish employees' willingness and ability to trust their Indian counterparts. Contemporary...... research on trust in virtual teams is used to provide a theoretical framing of the empirical findings. The paper furthermore draws on Sabherwal's (2003) categorizations of coordination as being either biased towards organic mutual adjustments or towards a priori structures. Through this perspective...... the findings suggest that formal coordination can be seen as a catalyst for building trust in virtual teams....

  11. ECONOMIC POLICY CO-ORDINATION AND POLICY REGIMES IN THE EUROPEAN UNION

    Directory of Open Access Journals (Sweden)

    Stefano Micossi

    2002-10-01

    Full Text Available In this article, it is argued that coordination of economic policies in the European Union has not led to a weakening of the role of the nation states in shaping their own economic policies. Rather, what can be witnessed is the prevalence of national policy goals through the discretionary implementation of the common rules at the expense of the simpler approach of minimal harmonisation. To support this argument, the author looks at the process of policy coordination in three major areas of the EU: Single Market, Economic and Monetary Union and Social Policies.

  12. Silicon two-coordinate detector with separable pad-strip readout

    International Nuclear Information System (INIS)

    Barabash, L.S.; Babukh, A.V.; Frolov, V.N.; Kazarinov, M.Yu.; Popov, A.A.; Sandukovskij, V.G.; Chalyshev, V.V.

    1996-01-01

    The characteristics of resistive layer Si microstrip detector with two versions of the readout system are presented. One version used the usual single coordinate strip system of 1 mm pitch. The second version used a two coordinate pad-strip system of 3.6 mm pitch ('chess board'). The registration precision of the detector was studied with a UV laser. The two-dimensional imaging ability of the detector with α-particles and with an 241 Am γ-source is shown. 5 refs., 9 figs

  13. Search for ArGa structures for development of coordinate-sensitive detectors

    International Nuclear Information System (INIS)

    Vorob'ev, A.P.; Sergeev, V.A.; Smol', A.V.

    1991-01-01

    GaAs samples have been investigated with the view to estimate the possibilities to use them in the coordinate detectors. As a result of the analysis of β-radiation spectra the samples of the π-ν-n-structure, whose signal spectrum from minimal ionizing particle is reliably singled out from the noise spectrum, have been chosen. The mechanism of signal forming in such structure has been considered. It has been concluded that π-ν-n-structure on the basis of the compensated GaAs is very promising as far as the construction of the coordinate sensitive detectors is concerned. 9 refs.; 15 figs

  14. Synthesis, coordination and biological aspects of organotin(IV derivatives of 4-[(2,4-dinitrophenylamino]-4-oxo-2-butenoic acid and 2-{[(2,4-dinitrophenylamino]carbonyl}benzoic acid

    Directory of Open Access Journals (Sweden)

    KHADIJA SHAHID

    2009-02-01

    Full Text Available New series of organotin(IV complexes of aniline derivatives, R2SnL2 and R3SnL [where R = Me, n-Bu, Ph, n-Oct] have been synthesized by the reaction of HL1 and HL2 with respective organotin halides or oxides. Experimental details for the preparation and characterization (including elemental analysis, IR and multinuclear NMR (1H-, 13C- and 119Sn- spectra in CDCl3 and EI mass spectra of both series are provided. The binding sites of the ligands were identified by means of FTIR spectroscopic measurements. It was found that in all cases the organotin(IV moiety reacts with the oxygen of COO– group to form new complexes. In the diorganotin complexes, the COO– group is coordinated to the organotin(IV centres in a bidentate manner in the solid state. The 119Sn NMR data and the nJ(13C‑119/117Sn coupling constant support the tetrahedral coordination geometry of the organotin complexes in non-coordinating solvents. Biological activities (antibacterial, antifungal, cytotoxicity, antileishmanial and insecticidal of these compounds are also reported.

  15. Energetic lanthanide complexes: coordination chemistry and explosives applications

    International Nuclear Information System (INIS)

    Manner, V W; Barker, B J; Sanders, V E; Laintz, K E; Scott, B L; Preston, D N; Sandstrom, M; Reardon, B L

    2014-01-01

    Metals are generally added to organic molecular explosives in a heterogeneous composite to improve overall heat and energy release. In order to avoid creating a mixture that can vary in homogeneity, energetic organic molecules can be directly bonded to high molecular weight metals, forming a single metal complex with Angstrom-scale separation between the metal and the explosive. To probe the relationship between the structural properties of metal complexes and explosive performance, a new series of energetic lanthanide complexes has been prepared using energetic ligands such as NTO (5-nitro-2,4-dihydro-1,2,4-triazole-3-one). These are the first examples of lanthanide NTO complexes where no water is coordinated to the metal, demonstrating novel control of the coordination environment. The complexes have been characterized by X-ray crystallography, NMR and IR spectroscopies, photoluminescence, and sensitivity testing. The structural and energetic properties are discussed in the context of enhanced blast effects and detection. Cheetah calculations have been performed to fine-tune physical properties, creating a systematic method for producing explosives with 'tailor made' characteristics. These new complexes will be benchmarks for further study in the field of metalized high explosives.

  16. Coordinating Contracts for Two-Stage Fashion Supply Chain with Risk-Averse Retailer and Price-Dependent Demand

    Directory of Open Access Journals (Sweden)

    Minli Xu

    2013-01-01

    Full Text Available When the demand is sensitive to retail price, revenue sharing contract and two-part tariff contract have been shown to be able to coordinate supply chains with risk neutral agents. We extend the previous studies to consider a risk-averse retailer in a two-echelon fashion supply chain. Based on the classic mean-variance approach in finance, the issue of channel coordination in a fashion supply chain with risk-averse retailer and price-dependent demand is investigated. We propose both single contracts and joint contracts to achieve supply chain coordination. We find that the coordinating revenue sharing contract and two-part tariff contract in the supply chain with risk neutral agents are still useful to coordinate the supply chain taking into account the degree of risk aversion of fashion retailer, whereas a more complex sales rebate and penalty (SRP contract fails to do so. When using combined contracts to coordinate the supply chain, we demonstrate that only revenue sharing with two-part tariff contract can coordinate the fashion supply chain. The optimal conditions for contract parameters to achieve channel coordination are determined. Numerical analysis is presented to supplement the results and more insights are gained.

  17. Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers

    Energy Technology Data Exchange (ETDEWEB)

    Thangavelu, Sonia G. [Department; Butcher, Ray J. [Department; Cahill, Christopher L. [Department

    2015-06-09

    Thiophene 2,5-dicarboxylic acid (TDC) was reacted with uranyl acetate dihydrate and one (or none) of six N-donor chelating ligands (2,2'-bipyridine (BPY), 4,4'-dimethyl-2,2'-bipyridine (4-MeBPY), 5,5'-dimethyl-2,2'-bipyridine (5-MeBPY), 6,6'-dimethyl-2,2'-bipyridine (6-MeBPY), 4,4',6,6'-tetramethyl-2,2'-bipyridine (4,6-MeBPY), and tetrakis(2-pyridyl)pyrazine (TPPZ) to result in the crystallization of seven uranyl coordination polymers, which were characterized by their crystal structures and luminescence properties. The seven coordination polymers, Na2[(UO2)2(C6H2O4S)3]·4H2O (1), [(UO2)4(C6H2O4S)5(C10H8N2)2]·C10H10N2·3H2O (2), [(UO2)(C6H2O4S)(C12H12N3)] (3), [(UO2)(C6H2O4S)(C12H12N3)]·H2O (4), [(UO2)2(C6H2O4S)3]·(C12H14N2)·5H2O (5), [(UO2)3(CH3CO2)(C6H2O4S)4](C14H17N2)3·(C14H16N2)·H2O (6), and [(UO2)2(C6H2O4S)3](C24H18N6) (7), consist of either uranyl hexagonal bipyramidal or pentagonal bipyramidal coordination geometries. In all structures, structural variations in the local and global structures of 1–7 are influenced by the positions (or number) of methyl groups or pyridyl rings on the N-donor species, thus resulting in a wide diversity of structures ranging from single chains, double chains, or 2-D sheets. Direct coordination of N-donor ligands to uranyl centers is observed in the chain structures of 2–4 using BPY, 4-MeBPY, and 5-MeBPY, whereas the N-donor species participate as guests (as either neutral or charge balancing species) in the chain and sheet structures of 5–7 using 6-MeBPY, 4,6-MeBPY, and TPPZ, respectively. Compound 1 is the only structure that does not contain any N-donor ligands and thus crystallizes as a 2-D interpenetrating sheet. The luminescent properties of 1–7 are influenced by the direct coordination or noncoordination of N-donor species to uranyl centers. Compounds 2–4 exhibit typical UO22+ emission upon direct coordination of N-donors, but its absence is observed in 1

  18. Static balance and developmental coordination disorder

    NARCIS (Netherlands)

    Geuze, RH

    2003-01-01

    The development of static balance is a basic characteristic of normal motor development. Most of the developmental motor tests include a measure of static balance. Children with a developmental coordination disorder (DCD) often fail this item. Twenty-four children at risk for DCD with balance

  19. Coordinated Collaboration between Heterogeneous Distributed Energy Resources

    Directory of Open Access Journals (Sweden)

    Shahin Abdollahy

    2014-01-01

    Full Text Available A power distribution feeder, where a heterogeneous set of distributed energy resources is deployed, is examined by simulation. The energy resources include PV, battery storage, natural gas GenSet, fuel cells, and active thermal storage for commercial buildings. The resource scenario considered is one that may exist in a not too distant future. Two cases of interaction between different resources are examined. One interaction involves a GenSet used to partially offset the duty cycle of a smoothing battery connected to a large PV system. The other example involves the coordination of twenty thermal storage devices, each associated with a commercial building. Storage devices are intended to provide maximum benefit to the building, but it is shown that this can have a deleterious effect on the overall system, unless the action of the individual storage devices is coordinated. A network based approach is also introduced to calculate some type of effectiveness metric to all available resources which take part in coordinated operation. The main finding is that it is possible to achieve synergy between DERs on a system; however this required a unified strategy to coordinate the action of all devices in a decentralized way.

  20. 78 FR 7757 - Council Coordination Committee Meeting

    Science.gov (United States)

    2013-02-04

    ... Conference, electronic monitoring of fisheries, and other topics related to implementation of the Magnuson...--Electronic monitoring of fisheries 11:30-12 p.m.--Fisheries litigation update 12 p.m.--Lunch 1:30--Afternoon... Coordination Committee Meeting AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and...

  1. 47 CFR 15.525 - Coordination requirements.

    Science.gov (United States)

    2010-10-01

    ... the UWB device. If the imaging device is intended to be used for mobile applications, the geographical... Government through the National Telecommunications and Information Administration. The information provided... coordination of routine UWB operations shall not take longer than 15 business days from the receipt of the...

  2. The Internship Coordinator: Problems and Perils.

    Science.gov (United States)

    Spann, Tom

    Internship coordinators in mass media departments face problems both from within the unit where they are employed and externally from conditions at the internship site. Of the two, the most threatening from a career advancement standpoint are the internal problems. Students often plan poorly when considering internships. Some students demand an…

  3. Learning From Movie-Sets Coordination

    DEFF Research Database (Denmark)

    Egebjerg, Christin

    A comparative study of large, professional movie sets and construction sites revealed that conditions for movie production were far more complex and unpredictable, with sudden surprises, changing facilities and often hundreds of people from independent professional groups to be coordinated from h...

  4. Polyoxometalate coordinated transition metal complexes as ...

    Indian Academy of Sciences (India)

    Keywords. Heptamolybdate type polyoxometalate cluster anion; transition metal coordination complexes; ... industrial chemistry. This oxidation can be divided into three categories: (i) the cleavage of the C=C bond by using the surface of the metal oxide, e.g., osmium or .... supported cobalt complexes (catalysts 1 and 2) pro-.

  5. Coordinate Metrology by Traceable Computed Tomography

    DEFF Research Database (Denmark)

    Müller, Pavel

    X-ray computed tomography (CT) is a measuring technique which has become an important technology in the production environment over the last years. Due to a number of advantages of CT compared to, e.g., coordinate measuring machines (CMMs), CT has been recently spread in the field of manufacturin...

  6. Field transformations, collective coordinates and BRST invariance

    International Nuclear Information System (INIS)

    Alfaro, J.; Damgaard, P.H.

    1989-12-01

    A very large class of general field transformations can be viewed as a field theory generalization of the method of collective coordinates. The introduction of new variables induces a gauge invariance in the transformed theory, and the freedom left in gauge fixing this new invariance can be used to find equivalent formulations of the same theory. First the Batalin-Fradkin-Vilkovisky formalism is applied to the Hamiltonian formulation of physical systems that can be described in terms of collective coordinates. We then show how this type of collective coordinate scheme can be generalized to field transformations, and discuss the War Identities of the associated BRST invariance. For Yang-Mills theory a connection to topological field theory and the background field method is explained in detail. In general the resulting BRST invariance we find hidden in any quantum field theory can be viewed as a consequence of our freedom in choosing a basis of coordinates φ(χ) in the action S[φ]. (orig.)

  7. 78 FR 6806 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2013-01-31

    ... DEPARTMENT OF AGRICULTURE Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of meeting. SUMMARY: The Forest Resource Committee Meeting will meet in... address the national priorities for non- industrial private forest land. The purpose of the meeting is...

  8. Adsorption Kinetics in Nanoscale Porous Coordination Polymers

    Energy Technology Data Exchange (ETDEWEB)

    Nune, Satish K.; Thallapally, Praveen K.; McGrail, Benard Peter; Annapureddy, Harsha V. R.; Dang, Liem X.; Mei, Donghai; Karri, Naveen; Alvine, Kyle J.; Olszta, Matthew J.; Arey, Bruce W.; Dohnalkova, Alice

    2015-10-07

    Nanoscale porous coordination polymers were synthesized using simple wet chemical method. The effect of various polymer surfactants on colloidal stability and shape selectivity was investigated. Our results suggest that the nanoparticles exhibited significantly improved adsorption kinetics compared to bulk crystals due to decreased diffusion path lengths and preferred crystal plane interaction.

  9. Impact of Colored Light on Cardiorespiratory Coordination

    Directory of Open Access Journals (Sweden)

    Friedrich Edelhäuser

    2013-01-01

    Full Text Available Background. Light exposure to the eye can influence different physiological functions, for example, the suprachiasmatic nucleus (SCN. By affecting the autonomic nervous system, the SCN may influence the heart rate variability (HRV. Standardized colored light exposure alters HRV but the results are inconsistent. In this study we investigated the effects of nonstandardized red light (approx. 640 nm and blue (approx. 480 nm light (approx. 50 lx on cardiorespiratory coordination and HRV. Methods. 17 healthy subjects (7 males, age: 26.5 ± 6.2 years were exposed to the following sequence (10 minutes each: daylight-red light-daylight-blue light-daylight. Red and blue lights were created by daylight passing through colored glass panes. Spectral measures of HRV (LF: low frequency, HF: high frequency oscillations, and sympathovagal balance LF/HF and measures of cardiorespiratory coordination (HRR: heart respiration ratio, PCR: phase coordination ratio were analyzed. Results. The LF component increased and the HF component decreased after red light. Consequently, LF/HF increased after red light. Furthermore, during red light HRR and PCR confined to 4 : 1, that is, 4 heartbeats during one respiratory cycle. Conclusion. Nonstandardized red and blue lights are able to alter the autonomic control reflected by HRV as well as cardiorespiratory coordination.

  10. Quadratic independence of coordinate functions of certain ...

    Indian Academy of Sciences (India)

    ... are `quadratically independent' in the sense that they do not satisfy any nontrivial homogeneous quadratic relations among them. Using this, it is proved that there is no genuine compact quantum group which can act faithfully on C ( M ) such that the action leaves invariant the linear span of the above coordinate functions.

  11. The Mortensen rule and efficient coordination unemployment

    DEFF Research Database (Denmark)

    Julien, Benoit; Kennes, John; King, Ian

    2006-01-01

    We apply the efficiency axioms of [Mortensen, D. (1982). Efficiency of mating, racing and related games. American Economic Review, 72 968–979.] to a set of matching games involving coordination frictions between buyers. These games include markets with finite numbers of buyers and sellers...

  12. Issues Surrounding Children with Developmental Coordination Disorder

    Science.gov (United States)

    Sugden, David; Kirby, Amanda; Dunford, Carolyn

    2008-01-01

    Like other developmental disorders such as Attention Deficit Hyperactivity Disorder, specific language impairment and dyslexia, there is no shortage of debate surrounding the condition of Developmental Coordination Disorder. The present article takes a global view of many of these debatable issues, starting with definition and terminology, moving…

  13. Coordination Chemistry of Life Processes: Bioinorganic Chemistry

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 9. Coordination Chemistry of Life Processes: Bioinorganic Chemistry. R N Mukherjee. General Article Volume 4 Issue 9 September 1999 pp 53-62. Fulltext. Click here to view fulltext PDF. Permanent link:

  14. Coordination dynamics in horse-rider dyads

    NARCIS (Netherlands)

    Wolframm, I.A.; Bosga, J.; Meulenbroek, R.G.J.

    2013-01-01

    The sport of equestrianism is defined through close horse-rider interaction. However, no consistent baseline parameters currently exist describing the coordination dynamics of horse-rider movement across different equine gaits. The study aims to employ accelerometers to investigate and describe

  15. Deriving force field parameters for coordination complexes

    DEFF Research Database (Denmark)

    Norrby, Per-Ola; Brandt, Peter

    2001-01-01

    The process of deriving molecular mechanics force fields for coordination complexes is outlined. Force field basics are introduced with an emphasis on special requirements for metal complexes. The review is then focused on how to set up the initial model, define the target, refine the parameters...

  16. Three coordination compounds based on benzene tetracarboxylate ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 129; Issue 8. Three coordination compounds based on benzene tetracarboxylate ligand: syntheses, structures, thermal behaviors and luminescence properties. YUNLONG WU CHANGKUN XIA JUN QIAN JIMIN XIE. REGULAR ARTICLE Volume 129 Issue 8 August ...

  17. Field test of coordinated ramp metering (CRM).

    Science.gov (United States)

    2017-03-15

    This project has focused on field implementation and testing of a Coordinated Ramp Metering (CRM) algorithm at California State Route 99 : Northbound corridor in Sacramento between Calvine Road and the SR50 interchange after 12th Ave. It is a 9 mile ...

  18. Records Coordinator | IDRC - International Development Research ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    The Records Coordinator maintains an active records system for IDRC Headquarters and Regional Offices. This role includes the implementation of filing systems and the delivery of effective and timely service to clients. The incumbent is a resource person for training, functional support and client filing needs.

  19. Coordinating Council. Ninth Meeting: Total Quality Management

    Science.gov (United States)

    1992-01-01

    This report summarizes the 9th meeting of the STI Coordinating Council. The council listened to the speakers' understanding of Total Quality Management (TQM) principles and heard stories of successful applications of these principles. Definitions of quality stated were focused on customer satisfaction. Reports presented by the speakers are also included.

  20. Coordinating knowledge transfer within manufacturing networks

    DEFF Research Database (Denmark)

    Yang, Cheng; Johansen, John; Boer, Harry

    2008-01-01

    Along with increasing globalization, the management of international manufacturing networks is becoming increasingly important for industrial companies. This paper mainly focuses on the coordination of knowledge transfer within manufacturing networks. In this context, we propose the time...... these questions are discussed, based on which a frame of thought is proposed that managers can use in their quest for network competitiveness....