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Sample records for distorted tetrahedral coordination

  1. 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.

  2. 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

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

    Science.gov (United States)

    Protasevich, Alexander E.; Nikitin, Andrei V.

    2018-01-01

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

  4. A method to correct coordinate distortion in EBSD maps

    International Nuclear Information System (INIS)

    Zhang, Y.B.; Elbrønd, A.; Lin, F.X.

    2014-01-01

    Drift during electron backscatter diffraction mapping leads to coordinate distortions in resulting orientation maps, which affects, in some cases significantly, the accuracy of analysis. A method, thin plate spline, is introduced and tested to correct such coordinate distortions in the maps after the electron backscatter diffraction measurements. The accuracy of the correction as well as theoretical and practical aspects of using the thin plate spline method is discussed in detail. By comparing with other correction methods, it is shown that the thin plate spline method is most efficient to correct different local distortions in the electron backscatter diffraction maps. - Highlights: • A new method is suggested to correct nonlinear spatial distortion in EBSD maps. • The method corrects EBSD maps more precisely than presently available methods. • Errors less than 1–2 pixels are typically obtained. • Direct quantitative analysis of dynamic data are available after this correction

  5. Tetrahedrality and hydrogen bonds in water

    Science.gov (United States)

    Székely, Eszter; Varga, Imre K.; Baranyai, András

    2016-06-01

    We carried out extensive calculations of liquid water at different temperatures and pressures using the BK3 model suggested recently [P. T. Kiss and A. Baranyai, J. Chem. Phys. 138, 204507 (2013)]. In particular, we were interested in undercooled regions to observe the propensity of water to form tetrahedral coordination of closest neighbors around a central molecule. We compared the found tetrahedral order with the number of hydrogen bonds and with the partial pair correlation functions unfolded as distributions of the closest, the second closest, etc. neighbors. We found that contrary to the number of hydrogen bonds, tetrahedrality changes substantially with state variables. Not only the number of tetrahedral arrangements increases with lowering the pressure, the density, and the temperature but the domain size of connecting tetrahedral structures as well. The difference in tetrahedrality is very pronounced between the two sides of the Widom line and even more so between the low density amorphous (LDA) and high density amorphous (HDA) phases. We observed that in liquid water and in HDA, the 5th water molecule, contrary to ice and LDA, is positioned between the first and the second coordination shell. We found no convincing evidence of structural heterogeneity or regions referring to structural transition.

  6. A method to correct coordinate distortion in EBSD maps

    DEFF Research Database (Denmark)

    Zhang, Yubin; Elbrønd, Andreas Benjamin; Lin, Fengxiang

    2014-01-01

    Drift during electron backscatter diffraction mapping leads to coordinate distortions in resulting orientation maps, which affects, in some cases significantly, the accuracy of analysis. A method, thin plate spline, is introduced and tested to correct such coordinate distortions in the maps after...... the electron backscatter diffraction measurements. The accuracy of the correction as well as theoretical and practical aspects of using the thin plate spline method is discussed in detail. By comparing with other correction methods, it is shown that the thin plate spline method is most efficient to correct...

  7. Using visual feedback distortion to alter coordinated pinching patterns for robotic rehabilitation

    Directory of Open Access Journals (Sweden)

    Brewer Bambi R

    2007-05-01

    Full Text Available Abstract Background It is common for individuals with chronic disabilities to continue using the compensatory movement coordination due to entrenched habits, increased perception of task difficulty, or personality variables such as low self-efficacy or a fear of failure. Following our previous work using feedback distortion in a virtual rehabilitation environment to increase strength and range of motion, we address the use of visual feedback distortion environment to alter movement coordination patterns. Methods Fifty-one able-bodied subjects participated in the study. During the experiment, each subject learned to move their index finger and thumb in a particular target pattern while receiving visual feedback. Visual distortion was implemented as a magnification of the error between the thumb and/or index finger position and the desired position. The error reduction profile and the effect of distortion were analyzed by comparing the mean total absolute error and a normalized error that measured performance improvement for each subject as a proportion of the baseline error. Results The results of the study showed that (1 different coordination pattern could be trained with visual feedback and have the new pattern transferred to trials without visual feedback, (2 distorting individual finger at a time allowed different error reduction profile from the controls, and (3 overall learning was not sped up by distorting individual fingers. Conclusion It is important that robotic rehabilitation incorporates multi-limb or finger coordination tasks that are important for activities of daily life in the near future. This study marks the first investigation on multi-finger coordination tasks under visual feedback manipulation.

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

    International Nuclear Information System (INIS)

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

    1975-01-01

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

  9. 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.

  10. 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.

  11. 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.

  12. Use of Roche coordinates in the problems of small oscillations of tidally-distorted stellar models. II

    International Nuclear Information System (INIS)

    Mohan, C.; Singh, V.P.

    1979-01-01

    Kopal's method of Roche coordinates used by the authors in an earlier paper (Mohan and Singh, 1978) to study the problems of small oscillations of tidally-distorted stars has been extended further to take into account the effect of second-order terms in tidal distortion. The results show that the effect of including terms of second order of smallness in tidal distortion in the metric coefficients of the Roche coordinates of tidally distroted stars is quite significant, especially in case of stars with extended envelopes and (or) larger values of the companion star producing tidal distortion. Some of the models which were earlier found stable against small perturbations now become dynamically unstable with the inclusion of the terms of second order of smallness in tidal effects. (Auth.)

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

    Science.gov (United States)

    Pothoczki, Szilvia; Temleitner, László; Pusztai, László

    2011-01-28

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

  14. Anion-Dependent Exocyclic Mercury(II) Coordination Polymers of Bis-dithiamacrocycle

    Energy Technology Data Exchange (ETDEWEB)

    Siewe, Arlette Deukam; Kim, Seul Gi; Choi, Kyu Seong [Kyungnam University, Changwon (Korea, Republic of); Lee, Shim Sung [Gyeongsang National University, Jinju (Korea, Republic of)

    2014-09-15

    Synthesis and structural characterization of mercury(II) halides and perchlorate complexes of bis-OS{sub 2}-Synthesis and structural characterization of mercury(II) halides and perchlorate complexes of bis-OS{sub 2}- macrocycle (L) are reported. L reacts with mercury(II) chloride and bromide to yield an isostructural 2D coordination polymers with type [Hg(L)X{sub 2}]n (1: X = Cl and 2: X = Br). In 1, each Hg atom which lies outside the cavity is six-coordinate with a distorted octahedral geometry, being bound to four adjacent ligands via monodentate Hg-S bonds and two remaining sites are occupied by two terminal chlorido ligands to form a fishnet-like 2D structure. When reacting with mercury(II) iodide, L afforded a 1D coordination polymer [Hg{sub 2}(L)I{sub 4}]·CHCl{sub 3}n in which each exocyclic Hg atom is four-coordinate, being bound to two sulfur donors from different ligands doubly bridging the ligand molecules in a head-to-tail mode. The coordination sphere in 3 is completed by two iodo terminal ligands, adopting a distorted tetrahedral geometry. On reacting with mercury(II) perchlorate, L forms solvent-coordinated 1D coordination polymer ([Hg{sub 2}(L)(DMF){sub 6}](ClO{sub 4}){sub 4}·2DMF)n instead of the anion-coordination. In 4, the Hg atom is five-coordinate, being bound to two sulfur donors from two different ligands doubly bridging the ligand molecules in a side-by-side mode to form a ribbon-like 1D structure.. The three remaining coordination sites in 4 are completed by three DMF molecules in a monodentate manner. Consequently, the different structures and connectivity patterns for the observed exocyclic coordination polymers depending on the anions used are influenced not only by the coordination ability of the anions but also by anion sizes macrocycle (L) are reported. L reacts with mercury(II) chloride and bromide to yield an isostructural 2D coordination polymers with type [Hg(L)X{sub 2}]n (1: X = Cl and 2: X = Br). In 1, each Hg atom which lies

  15. Revisiting the polytopal rearrangements in penta-coordinate d7-metallocomplexes: modified Berry pseudorotation, octahedral switch, and butterfly isomerization.

    Science.gov (United States)

    Asatryan, Rubik; Ruckenstein, Eli; Hachmann, Johannes

    2017-08-01

    This paper provides a first-principles theoretical investigation of the polytopal rearrangements and fluxional behavior of five-coordinate d 7 -transition metal complexes. Our work is primarily based on a potential energy surface analysis of the iron tetracarbonyl hydride radical HFe˙(CO) 4 . We demonstrate the existence of distorted coordination geometries in this prototypical system and, for the first time, introduce three general rearrangement mechanisms, which account for the non-ideal coordination. The first of these mechanisms constitutes a modified version of the Berry pseudorotation via a square-based pyramidal C 4v transition state that connects two chemically identical edge-bridged tetrahedral stereoisomers of C 2v symmetry. It differs from the classical Berry mechanism, which involves two regular D 3h equilibrium structures and a C 4v transition state. The second mechanism is related to the famous "tetrahedral jump" hypothesis, postulated by Muetterties for a number of d 6 HML 4 and H 2 ML 4 complexes. Here, our study suggests two fluxional rearrangement pathways via distinct types of C 2v transition states. Both pathways of this mechanism can be described as a single-ligand migration to a vacant position of an "octahedron", thus interchanging (switching) the apical and basal ligands of the initial quasi-square pyramidal isomer, which is considered as an idealized octahedron with a vacancy. Accordingly, we call this mechanism "octahedral switch". The third mechanism follows a butterfly-type isomerization featuring a key-angle deformation, and we thus call it "butterfly isomerization". It connects the quasi-square pyramidal and edge-bridged tetrahedral isomers of HFe˙(CO) 4 through a distorted edge-bridged tetrahedral transition state of C s symmetry. Our paper discusses the overall features of the isomers and rearrangement mechanisms as well as their implications. We rationalize the existence of each stationary point through an electronic structure

  16. 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...

  17. 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.

  18. On distortions of TPC coordinates: inhomogeneities of electric and magnetic field

    CERN Document Server

    Dydak, F

    2003-01-01

    After a general discussion of electron drift in a gas volume with electric and magnetic fields, distortions in the r and r phi coordinates arising from inhomogeneities of the electric and magnetic fields in the HARP TPC are calculated. Inhomogeneities of the electric field arise from i) positive ions released by cosmic rays, ii) positive ions released by interaction secondaries, iii) positive ions released by beam muons, iv) positive ions released from beam particles downstream of the inner field cage, and v) a high voltage misalignment between the outer and inner field cages. Also, distortions arising from the inhomogeneity of the magnetic field are calculated. These effects resolve the controversy on unphysical numbers of 'wrong-charge' TPC tracks. The bad news are that effects are too big to be neglected. The good news are that, with enough sweat and tears, they can be adequately corrected.

  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

    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 ... with a spin Hamiltonian of the form H = D(S-z(2) - S(S + 1)/3) + E(S-x(2) - S-y(2)) + mu(B)gS.B using an effective spin S = 3/2. Calculations on model complexes show the influence of the coordinating atoms and the deviation from the ideal trigonal prismatic coordination. As the distortion is reduced towards...... idealised D-3h, the zero field splitting increases and the g-tensor of the second Kramers doublet also becomes axial....

  20. Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Kandel, Saugat; Salomon-Ferrer, Romelia; Larsen, Adrien B.; Vaidehi, Nagarajan, E-mail: nvaidehi@coh.org [Division of Immunology, Beckman Research Institute of the City of Hope, Duarte, California 91010 (United States); Jain, Abhinandan, E-mail: Abhi.Jain@jpl.nasa.gov [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, California 91109 (United States)

    2016-01-28

    The Internal Coordinate Molecular Dynamics (ICMD) method is an attractive molecular dynamics (MD) method for studying the dynamics of bonded systems such as proteins and polymers. It offers a simple venue for coarsening the dynamics model of a system at multiple hierarchical levels. For example, large scale protein dynamics can be studied using torsional dynamics, where large domains or helical structures can be treated as rigid bodies and the loops connecting them as flexible torsions. ICMD with such a dynamic model of the protein, combined with enhanced conformational sampling method such as temperature replica exchange, allows the sampling of large scale domain motion involving high energy barrier transitions. Once these large scale conformational transitions are sampled, all-torsion, or even all-atom, MD simulations can be carried out for the low energy conformations sampled via coarse grained ICMD to calculate the energetics of distinct conformations. Such hierarchical MD simulations can be carried out with standard all-atom forcefields without the need for compromising on the accuracy of the forces. Using constraints to treat bond lengths and bond angles as rigid can, however, distort the potential energy landscape of the system and reduce the number of dihedral transitions as well as conformational sampling. We present here a two-part solution to overcome such distortions of the potential energy landscape with ICMD models. To alleviate the intrinsic distortion that stems from the reduced phase space in torsional MD, we use the Fixman compensating potential. To additionally alleviate the extrinsic distortion that arises from the coupling between the dihedral angles and bond angles within a force field, we propose a hybrid ICMD method that allows the selective relaxing of bond angles. This hybrid ICMD method bridges the gap between all-atom MD and torsional MD. We demonstrate with examples that these methods together offer a solution to eliminate the potential

  1. Coordination Behavior of Ni2+, Cu2+, and Zn2+ in Tetrahedral 1-Methylimidazole Complexes: A DFT/CSD Study

    OpenAIRE

    Tetteh, Samuel

    2018-01-01

    The interaction between nickel (Ni2+), copper (Cu2+), and zinc (Zn2+) ions and 1-methylimidazole has been studied by exploring the geometries of eleven crystal structures in the Cambridge Structural Database (CSD). The coordination behavior of the respective ions was further investigated by means of density functional theory (DFT) methods. The gas-phase complexes were fully optimized using B3LYP/GENECP functionals with 6-31G∗ and LANL2DZ basis sets. The Ni2+ and Cu2+ complexes show distorted ...

  2. 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.

  3. Co3(PO42·4H2O

    Directory of Open Access Journals (Sweden)

    Yang Kim

    2008-10-01

    Full Text Available Single crystals of Co3(PO42·4H2O, tricobalt(II bis[orthophosphate(V] tetrahydrate, were obtained under hydrothermal conditions. The title compound is isotypic with its zinc analogue Zn3(PO42·4H2O (mineral name hopeite and contains two independent Co2+ cations. One Co2+ cation exhibits a slightly distorted tetrahedral coordination, while the second, located on a mirror plane, has a distorted octahedral coordination environment. The tetrahedrally coordinated Co2+ is bonded to four O atoms of four PO43− anions, whereas the six-coordinate Co2+ is cis-bonded to two phosphate groups and to four O atoms of four water molecules (two of which are located on mirror planes, forming a framework structure. In addition, hydrogen bonds of the type O—H...O are present throughout the crystal structure.

  4. Structures and properties of spatially distorted porphyrins

    International Nuclear Information System (INIS)

    Golubchikov, Oleg A; Kuvshinova, Elizaveta M; Pukhovskaya, Svetlana G

    2005-01-01

    The published data on the structures and properties of porphyrins with distorted aromatic macrocycles are generalised and analysed. Data on the crystal structures, spectra and kinetics of formation and dissociation of their coordination derivatives are summarised. It is demonstrated that the distortion of the planar structure of the tetrapyrrole core is one of the most efficient means of controlling spectral, physicochemical and coordination properties of these compounds.

  5. Copper(II) and zinc(II) as metal-carboxylate coordination complexes based on (1-methyl-1H-benzo[d]imidazol-2-yl) methanol derivative: Synthesis, crystal structure, spectroscopy, DFT calculations and antioxidant activity

    Science.gov (United States)

    Benhassine, Anfel; Boulebd, Houssem; Anak, Barkahem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Bencharif, Mustapha; Belfaitah, Ali

    2018-05-01

    This work presents a combined experimental and theoretical study of two new metal-carboxylate coordination compounds. These complexes were prepared from (1-methyl-1H-benzimidazol-2-yl)methanol under mild conditions. The structures of the prepared compounds were characterized by single-crystal X-ray analysis, FTIR and UV-Vis spectroscopy. In the Cupper complex, the Cu(II) ion is coordinated by two ligands, which act as bidentate chelator through the non-substituted N and O atoms, and two carboxylicg oxygen atoms, displaying a hexa-coordinated compound in a distorted octahedral geometry, while in the Zinc complex the ligand is ligated to the Zn(II) ion in monodentate fashion through the N atom, and the metal ion is also bonded to carboxylic oxygen atoms. The tetra-coordinated compound displays a distorted tetrahedral shape. The density functional theory calculations are carried out for the determination of the optimized structures. The electronic transitions and fundamental vibrational wave numbers are calculated and are in good agreement with experimental. In addition, the ligand and its Cu(II) and Zn(II) complexes were screened and evaluated for their potential as DPPH radical scavenger.

  6. Streaming simplification of tetrahedral meshes.

    Science.gov (United States)

    Vo, Huy T; Callahan, Steven P; Lindstrom, Peter; Pascucci, Valerio; Silva, Cláudio T

    2007-01-01

    Unstructured tetrahedral meshes are commonly used in scientific computing to represent scalar, vector, and tensor fields in three dimensions. Visualization of these meshes can be difficult to perform interactively due to their size and complexity. By reducing the size of the data, we can accomplish real-time visualization necessary for scientific analysis. We propose a two-step approach for streaming simplification of large tetrahedral meshes. Our algorithm arranges the data on disk in a streaming, I/O-efficient format that allows coherent access to the tetrahedral cells. A quadric-based simplification is sequentially performed on small portions of the mesh in-core. Our output is a coherent streaming mesh which facilitates future processing. Our technique is fast, produces high quality approximations, and operates out-of-core to process meshes too large for main memory.

  7. 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

  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. Feature-Sensitive Tetrahedral Mesh Generation with Guaranteed Quality

    OpenAIRE

    Wang, Jun; Yu, Zeyun

    2012-01-01

    Tetrahedral meshes are being extensively used in finite element methods (FEM). This paper proposes an algorithm to generate feature-sensitive and high-quality tetrahedral meshes from an arbitrary surface mesh model. A top-down octree subdivision is conducted on the surface mesh and a set of tetrahedra are constructed using adaptive body-centered cubic (BCC) lattices. Special treatments are given to the tetrahedra near the surface such that the quality of the resulting tetrahedral mesh is prov...

  10. 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.

  11. Coordinated control of a DFIG-based wind-power generation system with SGSC under distorted grid voltage conditions

    DEFF Research Database (Denmark)

    Yao, Jun; Li, Qing; Chen, Zhe

    2013-01-01

    in the multiple synchronous rotating reference frames. In order to counteract the adverse effects of the voltage harmonics upon the DFIG, the SGSC generates series compensation control voltages to keep the stator voltage sinusoidal and symmetrical, which allows the use of the conventional vector control strategy......This paper presents a coordinated control method for a doubly-fed induction generator (DFIG)-based wind-power generation system with a series grid-side converter (SGSC) under distorted grid voltage conditions. The detailed mathematical models of the DFIG system with SGSC are developed...

  12. Generic distortion model for metrology under optical microscopes

    Science.gov (United States)

    Liu, Xingjian; Li, Zhongwei; Zhong, Kai; Chao, YuhJin; Miraldo, Pedro; Shi, Yusheng

    2018-04-01

    For metrology under optical microscopes, lens distortion is the dominant source of error. Previous distortion models and correction methods mostly rely on the assumption that parametric distortion models require a priori knowledge of the microscopes' lens systems. However, because of the numerous optical elements in a microscope, distortions can be hardly represented by a simple parametric model. In this paper, a generic distortion model considering both symmetric and asymmetric distortions is developed. Such a model is obtained by using radial basis functions (RBFs) to interpolate the radius and distortion values of symmetric distortions (image coordinates and distortion rays for asymmetric distortions). An accurate and easy to implement distortion correction method is presented. With the proposed approach, quantitative measurement with better accuracy can be achieved, such as in Digital Image Correlation for deformation measurement when used with an optical microscope. The proposed technique is verified by both synthetic and real data experiments.

  13. 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

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

    Directory of Open Access Journals (Sweden)

    Sandra Ulloa-Godínez

    2009-11-01

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

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

    Science.gov (United States)

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

    2009-10-31

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

  16. 73Ge, 119Sn and 207Pb: general cooperative effects of single atom ligands on the NMR signals observed in tetrahedral [MXnY4-n] (M = Ge, Sn, Pb; 1 ≤ n ≤ 4; X, Y = Cl, Br, I) coordination compounds of heavier XIV group elements.

    Science.gov (United States)

    Benedetti, M; De Castro, F; Fanizzi, F P

    2017-02-28

    An inverse linear relationship between 73 Ge, 119 Sn and 207 Pb NMR chemical shifts and the overall sum of ionic radii of coordinated halido ligands has been discovered in tetrahedral [MX n Y 4-n ] (M = Ge, Sn, Pb; 1 ≤ n ≤ 4; X, Y = Cl, Br, I) coordination compounds. This finding is consistent with a previously reported correlation found in octahedral, pentacoordinate and square planar platinum complexes. The effect of the coordinated halido ligands acting on the metal as shielding conducting rings is therefore confirmed also by 73 Ge, 119 Sn and 207 Pb NMR spectroscopy.

  17. Video Vectorization via Tetrahedral Remeshing.

    Science.gov (United States)

    Wang, Chuan; Zhu, Jie; Guo, Yanwen; Wang, Wenping

    2017-02-09

    We present a video vectorization method that generates a video in vector representation from an input video in raster representation. A vector-based video representation offers the benefits of vector graphics, such as compactness and scalability. The vector video we generate is represented by a simplified tetrahedral control mesh over the spatial-temporal video volume, with color attributes defined at the mesh vertices. We present novel techniques for simplification and subdivision of a tetrahedral mesh to achieve high simplification ratio while preserving features and ensuring color fidelity. From an input raster video, our method is capable of generating a compact video in vector representation that allows a faithful reconstruction with low reconstruction errors.

  18. 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.

  19. Vibrational Spectra of Tetrahedral Fullerenes.

    Science.gov (United States)

    Cheng; Li; Tang

    1999-01-01

    From the topological structures of the following classes of tetrahedral fullerenes-(1) Cn(h, h; -i, i), Cn(h, 0; -i, 2i), Cn(2h + i, -h + i; i, i), Cn(h - i, h + 2i; -i, 2i), and Cn(h, i; 0, i) for Td symmetry; (2) Cn(h, k; k, h), Cn(h, k; -h - k, k), and Cn(h, k; -h, h + k) for Th symmetry; (3) Cn(h, k; i, j) for T symmetry-we have obtained theoretically the formulas for the numbers of their IR and Raman active modes for all of the tetrahedral fullerenes through the decomposition of their nuclear motions into irreducible representations by means of group theory. Copyright 1999 Academic Press.

  20. TPC track distortions III: fiat lux

    CERN Document Server

    Boyko, I; Dydak, F; Elagin, A; Gostkin, M; Guskov, A; Koreshev, V; Nefedov, Y; Nikolaev, K; Veenhof, R; Wotschack, J; Zhemchugov, A

    2005-01-01

    We present a comprehensive overview and final summary of all four types of static track distortions seen in the HARP TPC, in terms of physical origins, mathematical modelling, and correction algorithms. 'Static'™ distortions are defined as not depending on the event time within the 400 ms long accelerator spill. Calculated static distortions are compared with measurements from cosmic-muon tracks. We characterize track distortions by the r phi residuals of cluster positions with respect to the transverse projection of a helical trajectory constrained by hits in the RPC overlap regions. This method provides a fixed TPC-external reference system (by contrast to the co-moving coordinate system associated with a fit) which solely permits to identify individually, and measure quantitatively, the static TPC track distortions arising from (i) the inhomogeneity of the solenoidal magnetic field, (ii) the inhomogeneity of the electric field from the high-voltage mismatch between the inner and outer TPC field cages, (...

  1. Density distortion within a rotating body

    International Nuclear Information System (INIS)

    Lanzano, P.

    1975-01-01

    This paper ascertains the distortion of the density distribution within a self-gravitating body in hydrostatic equilibrium under the influence of rotation. For this purpose, the Poisson equation has been solved by using the undistorted density profile within the Laplacian to obtain the distorted density. The Laplacian has been expressed in terms of a system of curvilinear coordinates for which the equipotential surfaces constitute a family of fundamental surfaces. In performing the requisite algebraic manipulations, the Clairaut and Radau equations developed in a previous paper (Lanzano,1974) were utilized to eliminate the derivatives of the elements pertaining to the equipotential surfaces. The density distortion has been obtained up to third-order terms in a small rotational parameter. (Auth.)

  2. 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

  3. Investigation of the Geometrical Distortions in the Nuclear Emulsion

    International Nuclear Information System (INIS)

    Batusov, Yu.A.; Rumyantseva, V.P.; Soroko, L.M.; Tereshchenko, V.V.

    1994-01-01

    The geometrical distortions in the nuclear emulsion were investigated by means of two devices: 1) stereoscopic meso-optical Fourier transform microscope (MFTM) and 2) traditional optical microscope (KSM-1) designed for precise measurements. The particle tracks were produced by primary Oxygen-nuclei with impulse 65.6 GeV/c and by secondary α-particles in various regions of the nuclear emulsion. The measurement errors were: 1.8' (angular minute) for orientation angle θ xy ; 2.7' (angular minute) for dip angle θ z ; 0.3 μm for transverse coordinate x; 0.1 μm for longitudinal coordinate y and 0.3 μm for depth coordinate z. The effect of the global forced bending of the nuclear emulsion glass support was detected and estimated as dθ z /dy=2' (angular minute) per mm. To suppress the local geometrical distortions, a difference plot was calculated for two secondary α-particles going very close within ≤ 10 μm over the distance 6 mm. It was shown that this mode of the local geometrical distortions is kept constant over the mutual transverse distances up to 0.6 mm. By observing the zy-plots of four secondary α-particles we have isolated the rotating mode of the local geometrical distortions in the nuclear emulsion. 5 refs., 11 figs

  4. Relativistic Jahn-Teller effect in tetrahedral systems

    International Nuclear Information System (INIS)

    Opalka, Daniel; Domcke, Wolfgang; Segado, Mireia; Poluyanov, Leonid V.

    2010-01-01

    It is shown that orbitally degenerate states in highly symmetric systems are split by Jahn-Teller forces which are of relativistic origin (that is, they arise from the spin-orbit coupling operator). For the example of tetrahedral systems, the relativistic Jahn-Teller Hamiltonians of orbitally degenerate electronic states with spin 1/2 are derived. While both electrostatic and relativistic forces contribute to the Jahn-Teller activity of vibrational modes of E and T 2 symmetry in 2 T 2 states of tetrahedral systems, the electrostatic and relativistic Jahn-Teller couplings are complementary for 2 E states: The E mode is Jahn-Teller active through electrostatic forces, while the T 2 mode is Jahn-Teller active through the relativistic forces. The relativistic Jahn-Teller parameters have been computed with ab initio relativistic electronic-structure methods. It is shown for the example of the tetrahedral cluster cations of the group V elements that the relativistic Jahn-Teller couplings can be of the same order of magnitude as the familiar electrostatic Jahn-Teller couplings for the heavier elements.

  5. Jahn-Teller distortion in the phosphorescent excited state of three-coordinate Au(I) phosphine complexes.

    Science.gov (United States)

    Barakat, Khaldoon A; Cundari, Thomas R; Omary, Mohammad A

    2003-11-26

    DFT calculations were used to optimize the phosphorescent excited state of three-coordinate [Au(PR3)3]+ complexes. The results indicate that the complexes rearrange from their singlet ground-state trigonal planar geometry to a T-shape in the lowest triplet luminescent excited state. The optimized structure of the exciton contradicts the structure predicted based on the AuP bonding properties of the ground-state HOMO and LUMO. The rearrangement to T-shape is a Jahn-Teller distortion because an electron is taken from the degenerate e' (5dxy, 5dx2-y2) orbital upon photoexcitation of the ground-state D3h complex. The calculated UV absorption and visible emission energies are consistent with the experimental data and explain the large Stokes' shifts while such correlations are not possible in optimized models that constrained the exciton to the ground-state trigonal geometry.

  6. 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.

  7. 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.

  8. Crystal structure of (benzenecarbothioamide-κSchloridobis(triphenylphosphane-κPsilver(I

    Directory of Open Access Journals (Sweden)

    Wattana Ruangwut

    2014-09-01

    Full Text Available In the mononuclear mixed-ligand title complex, [AgCl(C7H7NS(C18H15P2], the AgI ion is four coordinated by one S atom of a benzenecarbothioamide ligand, two P atoms of two triphenylphosphane ligands and one chloride ion, displaying a distorted tetrahedral coordination geometry. In the crystal, pairs of N—H...Cl hydrogen bonds form inversion dimers. An intramolecular N—H...Cl hydrogen bond is also observed.

  9. Copper(II) manganese(II) orthophosphate, Cu0.5Mn2.5(PO4)2

    DEFF Research Database (Denmark)

    Warner, Terence Edwin; Bond, Andrew; Foghmoes, Søren Preben Vagn

    2011-01-01

    The title compound, Cu0.5Mn2.5(PO4)2, is a copper-manganese phosphate solid solution with the graftonite-type structure, (Mn,Fe,Ca,Mg)3(PO4)2. The structure has three distinct metal cation sites, two of which are occupied exclusively by MnII, and one of which accommodates CuII. Incorporation of C......II into the structure distorts the coordination geometry of the metal cation site from 5-coordinate square-pyramidal towards 4-coordinate flattened tetrahedral, and serves to contract the structure principally along the c axis....

  10. 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

  11. Electronic structure of filled tetrahedral semiconductors

    NARCIS (Netherlands)

    Wood, D.M.; Zunger, Alex; Groot, R. de

    1985-01-01

    We discuss the susceptibility of zinc-blende semiconductors to band-structure modification by insertion of small atoms at their tetrahedral interstitial states. GaP is found to become a direct-gap semiconductor with two He atoms present at its interstitial sites; Si does not. Analysis of the factors

  12. 2-Aminopyridinium (2-aminopyridinetrichloridonickelate(II

    Directory of Open Access Journals (Sweden)

    T. Balasubramanian

    2008-04-01

    Full Text Available In the title compound, (C5H7N2[NiCl3(C5H6N2], the NiII atom is four-coordinated by three chloride anions and one N atom of a 2-aminopyridine ligand, forming a distorted tetrahedral coordination. In the crystal structure, cations and complex anions are linked into chains along the a, b and c axes by N—H...Cl hydrogen bonds, leading to the formation of a three-dimensional framework.

  13. Approximate direct georeferencing in national coordinates

    Science.gov (United States)

    Legat, Klaus

    Direct georeferencing has gained an increasing importance in photogrammetry and remote sensing. Thereby, the parameters of exterior orientation (EO) of an image sensor are determined by GPS/INS, yielding results in a global geocentric reference frame. Photogrammetric products like digital terrain models or orthoimages, however, are often required in national geodetic datums and mapped by national map projections, i.e., in "national coordinates". As the fundamental mathematics of photogrammetry is based on Cartesian coordinates, the scene restitution is often performed in a Cartesian frame located at some central position of the image block. The subsequent transformation to national coordinates is a standard problem in geodesy and can be done in a rigorous manner-at least if the formulas of the map projection are rigorous. Drawbacks of this procedure include practical deficiencies related to the photogrammetric processing as well as the computational cost of transforming the whole scene. To avoid these problems, the paper pursues an alternative processing strategy where the EO parameters are transformed prior to the restitution. If only this transition was done, however, the scene would be systematically distorted. The reason is that the national coordinates are not Cartesian due to the earth curvature and the unavoidable length distortion of map projections. To settle these distortions, several corrections need to be applied. These are treated in detail for both passive and active imaging. Since all these corrections are approximations only, the resulting technique is termed "approximate direct georeferencing". Still, the residual distortions are usually very low as is demonstrated by simulations, rendering the technique an attractive approach to direct georeferencing.

  14. Atomic Nuclei with Tetrahedral and Octahedral Symmetries

    International Nuclear Information System (INIS)

    Dudek, J.; Gozdz, A.; Schunck, N.

    2003-01-01

    We present possible manifestations of octahedral and tetrahedral symmetries in nuclei. These symmetries are associated with the O D h and T D d double point groups. Both of them have very characteristic finger-prints in terms of the nucleonic level properties - unique in the Fermionic universe. The tetrahedral symmetry leads to the four-fold degeneracies in the nucleonic spectra; it does not preserve the parity. The octahedral symmetry leads to the four-fold degeneracies in the nucleonic spectra as well but it does preserve the parity. Microscopic predictions have been obtained using mean-field theory based on the relativistic equations and confirmed by using ''traditional'' Schrodinger equation formalism. Calculations are performed in multidimensional deformation spaces using newly designed algorithms. We discuss some experimental fingerprints of the hypothetical new symmetries and possibilities of their verification through experiments. (author)

  15. TPC track distortions: correction maps for magnetic and static electric inhomogeneities

    CERN Document Server

    Dydak, F; Nefedov, Y

    2003-01-01

    Inhomogeneities of the magnetic and electric fields in the active TPC volume lead to displacements of cluster coordinates, and therefore to track distortions. In case of good data taking conditions, the largest effects are expected from the inhomogeneity of the solenoidal magnetic field, and from a distortion of the electric field arising from a high voltage misalignment between the outer and inner field cages. Both effects are stable over the entire HARP data taking. The displacements are large compared to the azimuthal coordinate resolution but can be corrected with sufficient precision, except at small TPC radius. The high voltage misalignment between the outer and inner field cages is identified as the likely primary cause of sagitta distortions of TPC tracks. The position and the length of the target plays an important role. Based on a detailed modelling of the magnetic and static electric field inhomogeneities, precise correction maps for both effects have been calculated. Predictions from the correctio...

  16. An Iterative Optimization Algorithm for Lens Distortion Correction Using Two-Parameter Models

    Directory of Open Access Journals (Sweden)

    Daniel Santana-Cedrés

    2016-12-01

    Full Text Available We present a method for the automatic estimation of two-parameter radial distortion models, considering polynomial as well as division models. The method first detects the longest distorted lines within the image by applying the Hough transform enriched with a radial distortion parameter. From these lines, the first distortion parameter is estimated, then we initialize the second distortion parameter to zero and the two-parameter model is embedded into an iterative nonlinear optimization process to improve the estimation. This optimization aims at reducing the distance from the edge points to the lines, adjusting two distortion parameters as well as the coordinates of the center of distortion. Furthermore, this allows detecting more points belonging to the distorted lines, so that the Hough transform is iteratively repeated to extract a better set of lines until no improvement is achieved. We present some experiments on real images with significant distortion to show the ability of the proposed approach to automatically correct this type of distortion as well as a comparison between the polynomial and division models.

  17. Sonochemical synthesis and characterization of nano-sized zinc(II coordination complex as a precursor for the preparation of pure-phase zinc(II oxide nanoparticles

    Directory of Open Access Journals (Sweden)

    Maryam Ranjbar

    2017-01-01

    Full Text Available In current study, nanoparticles and single crystals of a Zn(II coordination complex, [Zn(dmphI2](1, {dmph=2,9-dimethyl-1,10-phenanthroline(neocuproine}, have been synthesized by the reaction of zinc(II acetate, KI and neocuproine as ligand in methanol using sonochemical and heat gradient methods, respectively. The nanostructure of 1 was characterized by scanning electron microscopy (SEM, X-ray powder diffraction (XRD, FT-IR spectroscopy and elemental analyses, and the structure of compound 1 was determined by single-crystal X-ray diffraction. The thermal stability of nano-sized 1 has been studied by thermogravimetric (TG and differential thermal analyses (DTA. Structural determination of compound 1 reveals the Zn(II ion is four-coordinated in a distorted tetrahedral configuration by two N atoms from a 2,9-dimethyl-1,10-Phenanthroline ligand and two terminal I atoms. The effect of supercritical condition on stability, size and morphology of nano-structured compound 1 has also been studied. The XRD pattern of the residue obtained from thermal decomposition of nano-sized compound 1 at 600 °C under air atmosphere provided pure phase of ZnO with the average particles size of about 31 nm.

  18. Structural, electronic, and vibrational properties of high-density amorphous silicon: a first-principles molecular-dynamics study.

    Science.gov (United States)

    Morishita, Tetsuya

    2009-05-21

    We report a first-principles study of the structural, electronic, and dynamical properties of high-density amorphous (HDA) silicon, which was found to be formed by pressurizing low-density amorphous (LDA) silicon (a normal amorphous Si) [T. Morishita, Phys. Rev. Lett. 93, 055503 (2004); P. F. McMillan, M. Wilson, D. Daisenberger, and D. Machon, Nature Mater. 4, 680 (2005)]. Striking structural differences between HDA and LDA are revealed. The LDA structure holds a tetrahedral network, while the HDA structure contains a highly distorted tetrahedral network. The fifth neighboring atom in HDA tends to be located at an interstitial position of a distorted tetrahedron composed of the first four neighboring atoms. Consequently, the coordination number of HDA is calculated to be approximately 5 unlike that of LDA. The electronic density of state (EDOS) shows that HDA is metallic, which is consistent with a recent experimental measurement of the electronic resistance of HDA Si. We find from local EDOS that highly distorted tetrahedral configurations enhance the metallic nature of HDA. The vibrational density of state (VDOS) also reflects the structural differences between HDA and LDA. Some of the characteristic vibrational modes of LDA are dematerialized in HDA, indicating the degradation of covalent bonds. The overall profile of the VDOS for HDA is found to be an intermediate between that for LDA and liquid Si under pressure (high-density liquid Si).

  19. 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.

  20. Poly[μ2-benzene-1,3-dicarboxylato-κ2O:O′-μ2-1,3-di-4-pyridylpropane-κ2N:N′-zinc(II

    Directory of Open Access Journals (Sweden)

    En Tang

    2008-02-01

    Full Text Available The title compound, [Zn(C8H4O4(C13H14N2]n, was obtained by the hydrothermal reaction of Zn(OAc2·H2O with 1,3-di-4-pyridylpropane (bpp and isophthalic acid (H2ip. The ZnII ion is coordinated by two bpp and two ip ligands in a distorted tetrahedral environment. Each ligand coordinates in a bridging mode to connect ZnII ions into a three-dimensional diamondoid-type structure.

  1. Tetrahedral meshing via maximal Poisson-disk sampling

    KAUST Repository

    Guo, Jianwei; Yan, Dongming; Chen, Li; Zhang, Xiaopeng; Deussen, Oliver; Wonka, Peter

    2016-01-01

    -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

  2. Bis(5,5-diphenylhydantoinato-κN3(ethylenediaminezinc(II

    Directory of Open Access Journals (Sweden)

    Xilan Hu

    2009-11-01

    Full Text Available In the title compound, [Zn(C15H11N2O22(C2H8N2], the ZnII atom is coordinated in a distorted tetrahedral geometry. Intramolecular N—H...O, C—H...O and C—H...N hydrogen bonds occur. In the crystal, molecules are linked by intermolecular N—H...O hydrogen bonds, forming a three-dimensional network.

  3. Diiodidobis(N,N,N′,N′-tetramethylthiourea-κScadmium(II

    Directory of Open Access Journals (Sweden)

    Sidra Nawaz

    2010-08-01

    Full Text Available In the title compound, [CdI2(C5H12N2S2], the CdII ion is located on a twofold rotation axis and is coordinated in a distorted tetrahedral mode by two iodide ions and by two tetramethylthiourea (tmtu ligands through their S atoms. The crystal structure is stabilized by C—H...N and C—H...S hydrogen bonds.

  4. Dichloridobis(N,N,N′,N′-tetramethylthiourea-κSmercury(II

    Directory of Open Access Journals (Sweden)

    Sidra Nawaz

    2010-08-01

    Full Text Available In the title compound, [HgCl2(C5H12N2S2], the HgII atom is located on a twofold rotation axis and is bonded in a distorted tetrahedral coordination mode to two chloride ions and to two tetramethylthiourea (tmtu molecules through their S atoms. The crystal structure is stabilized by C—H...N and C—H...S hydrogen bonds.

  5. Synthesis and structure of Li{sub 4}GeS{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Matsushita, Y [National Inst. of Materials and Chemical Research, Tsukuba (Japan). High Pressure Lab.; Kanatzidis, M G [Michigan State Univ., East Lansing, MI (United States). Dept. of Chemistry

    1998-01-01

    The compound Li{sub 4}GeS{sub 4} has been prepared as transparent, light yellow moisture-sensitive crystals. Li{sub 4}GeS{sub 4} belongs to the space group Pnma with a = 14.107(6) A, b = 7.770(3) A and c = 6.162(2) A. The crystal structure was solved by direct-methods. The final R and R{sub w}-values are 1.85 and 1.65% for 866 observed reflections. The Li{sub 4}GeS{sub 4} structure has three crystallographically independent lithium sites and one germanium site. The lithium atoms adopt two different coordination types. The Li1 atom is coordinated to five sulfur atoms in a square pyramidal geometry, while the Li2 and Li3 atoms have distorted tetrahedral coordination. The Ge atom is tetrahedrally coordinated by four sulfur atoms and is found as [GeS{sub 4}]{sup 4-} units. The anisotropic three-dimensional crystal structure of Li{sub 4}GeS{sub 4} is described. (orig.) 57 refs.

  6. Distortion compensation in interferometric testing of mirrors

    International Nuclear Information System (INIS)

    Robinson, Brian M.; Reardon, Patrick J.

    2009-01-01

    We present a method to compensate for the imaging distortion encountered in interferometric testing of mirrors, which is introduced by interferometer optics as well as from geometric projection errors. Our method involves placing a mask, imprinted with a regular square grid, over the mirror and finding a transformation that relates the grid coordinates to coordinates in the base plane of the parent surface. This method can be used on finished mirrors since no fiducials have to be applied to the surfaces. A critical step in the process requires that the grid coordinates be projected onto the mirror base plane before the regression is performed. We apply the method successfully during a center-of-curvature null test of an F/2 off-axis paraboloid

  7. Distortion

    OpenAIRE

    Schultz, Isabella Odorico; Zmylon, Nanna Nielsen; Britze, Juliane

    2014-01-01

    This paper investigates the audience’s perception of the music festival Distortion. By conducting a field-study focusing on the subject’s perception of Distortion, their perception of the Distortion-attendants, and their perception on the promotion of Distortion, the paper will relate the audience perception to the promotion of the event. Using the group’s own research on the promotion of Distortion, the paper points out both the consistencies and the inconsistencies between the promotion and...

  8. Shape distortion and dimensional precision in tungsten heavy alloy liquid phase sintering

    International Nuclear Information System (INIS)

    Wuwen Yi; German, R.M.; Lu, P.K.

    2001-01-01

    Microstructure effects on densification and shape distortion in liquid phase sintering of tungsten heavy alloy were investigated. Microstructure parameters such as the solid volume fraction, dihedral angle, initial porosity, and pore size were varied to measure densification and distortion behavior during LPS using W-Ni-Cu alloys. Green compacts were formed using ethylene-bis-stearamide as a pore-forming agent with the amount of polymer controlling the initial porosity. Different initial pore sizes were generated by varying the polymer particle size. Dihedral angle was varied by changing the Ni:Cu ratio in the alloys. Finally, the solid volume fraction was adjusted via the tungsten content. Distortion was quantified using profiles determined with a coordinate measuring machine to calculate a distortion parameter. Sintering results showed that solid volume fraction and dihedral angle are the dominant factors on densification and distortion during liquid phase sintering. Distortion decreases with increasing solid volume fraction and dihedral angle, while initial porosity and pore size have no observable effect on distortion at nearly full densification. Various strategies emerge to improve distortion control in liquid phase sintering. (author)

  9. Controlled synthesis of concave tetrahedral palladium nanocrystals by reducing Pd(acac)2 with carbon monoxide

    International Nuclear Information System (INIS)

    Zhu, Hai; Chi, Quan; Zhao, Yanxi; Li, Chunya; Tang, Heqing; Li, Jinlin; Huang, Tao; Liu, Hanfan

    2012-01-01

    Graphical abstract: By using CO as a reducing agent, uniform and well-defined concave tetrahedral Pd nanocrystals were successfully synthesized. CO flow rate was the most essential for the formation of the concave tetrahedral nanostructures. The morphologies and sizes of the final products can be well controlled by adjusting the flow rate of CO. Highlights: ► By using CO as a reducing agent, concave tetrahedral Pd nanocrystals were obtained. ► CO flow rate is critical to the formation of concave tetrahedral Pd nanocrystals. ► The selective adsorption of CO on (1 1 0) facets is essential to concave Pd tetrahedra. -- Abstract: CO reducing strategy to control the morphologies of palladium nanocrystals was investigated. By using CO as a reducing agent, uniform and well-defined concave tetrahedral Pd nanocrystals with a mean size of about 55 ± 2 nm were readily synthesized with Pd(acac) 2 as a precursor and PVP as a stabilizer. The structures of the as-prepared Pd nanocrystals were characterized by transmission electron microscopy (TEM), X-ray powder diffraction (XRD), ultraviolet–visible (UV–vis) absorption spectroscopy and electrochemical measurements. The results demonstrated that CO was the most essential for the formation of the concave tetrahedral Pd nanostructures. The morphologies and sizes of the final products can be well controlled by adjusting the flow rate of CO. The most appropriate CO flow rate, temperature and time for the formation of the ideal concave tetrahedral Pd nanocrystals was 0.033 mL s −1 , 100 °C and 3 h, respectively.

  10. Spatial distortion in MRI with application to stereotactic neurosurgery

    International Nuclear Information System (INIS)

    Morgan, P.S.

    1999-05-01

    The aim of this work was to implement a thorough method for quantifying the errors introduced to frame-based neurosurgical stereotactic procedures by the use of MRI. Chang and Fitzpatrick's reversed gradient distortion correction method was used, in combination with a phantom, to measure these errors. Spatial distortion in MR images of between 1 mm and 2 mm was measured. Further analysis showed that this typically introduced an additional error in the coordinate of the actual treatment point of 0.7 mm. The implications of this are discussed. The main source of distortion in the MR images used for stereotaxis was found to be the head ring. A comparison between imaging sequences and MR scanners revealed that the spatial distortion depends mainly on the bandwidth per pixel of the sequence rather than other differences in the imaging sequences. By comparison with a phase map distortion correction technique, the imaging parameters required to allow successful distortion correction with the reversed gradient method were identified. The most important was the use of full Fourier spin echo acquisitions. The reversed gradient correction method was applied to two contemporary EPI techniques. Considerable improvement was seen in the production of ADC maps after the images had been corrected for distortion. The method also was shown to be valid in application to BOLD fMRl data. (author)

  11. Ab initio investigation of inversion in tetrahedral molecules of transition metals

    International Nuclear Information System (INIS)

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

    1984-01-01

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

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

    Science.gov (United States)

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

    2015-10-14

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

  13. [2-(Piperidin-1-ylethylamine]dithiocyanatozinc(II

    Directory of Open Access Journals (Sweden)

    Chen-Yi Wang

    2010-04-01

    Full Text Available In the mononuclear title compound, [Zn(NCS2(C7H16N2], the ZnII atom is four-coordinated by two N atoms of the chelating 2-(piperidin-1-ylethylamine ligand and two N atoms from two thiocyanate ligands in a distorted tetrahedral geometry. In the crystal structure, molecules are linked through intermolecular N—H...S hydrogen bonds, forming chains along the b axis.

  14. Effect of Jahn-Teller distortion on the short range magnetic order in copper ferrite

    Energy Technology Data Exchange (ETDEWEB)

    Abdellatif, M.H., E-mail: Mohamed.abdellatif@iit.it [Nanostrctures Department, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genova (Italy); Innocenti, Claudia [INSTM—Department of Chemistry, University of Florence, via della Lastruccia 3, I-50019 Sesto Fiorentino, FI (Italy); Liakos, Ioannis [Nanostrctures Department, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genova (Italy); Scarpellini, Alice; Marras, Sergio [Nanochemistry Department, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genova (Italy); Salerno, Marco [Nanostrctures Department, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genova (Italy)

    2017-02-15

    Copper ferrite of spinel crystal structure was synthesized in the form of nano-particles using citrate-gel auto-combustion method. The sample morphology and composition were identified using scanning electron microscopy, X-ray diffraction, and X-ray spectroscopy. The latter technique reveals an inverse spinel structure with Jahn-Teller tetragonal distortion. The static magnetization was measured using vibrating sample magnetometer. Magnetic force microscopy was used in combination with the magnetization data to demonstrate the finite size effect of the magnetic spins and their casting behavior due to the introduction of copper ions in the tetrahedral magnetic sub-lattices, which results in tetragonal distorting the spinel structure of the copper ferrite. The magnetic properties of materials are a result of the collective behavior of the magnetic spins, and magnetic force microscopy can probe the collective behavior of the magnetic spins in copper ferrite, yet providing a sufficient resolution to map the effects below the micrometer size scale, such as the magnetic spin canting. A theoretical study was done to clarify the finite size effect of Jahn-Teller distortion on the magnetic properties of the material. When the particles are in the nano-scale, below the single domain size, their magnetic properties are very sensitive to their size change. - Highlights: • The spin canting due to Jahn-Teller distortion in Copper ferrite can be detected using magnetic force microscope. • The contrast in the magnetic AFM image can be analyzed to give information not only about the surface spins but also about the canting of the core spins inside the aggregated cluster of magnetic nanoparticle.

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

    Science.gov (United States)

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

    2017-04-15

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

  16. 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

  17. 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.

  18. 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.

  19. 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

  20. Bis[(diphenylphosphanylmethyldiphenylphosphane sulfide-κ2P,S]copper(I hexafluoridophosphate

    Directory of Open Access Journals (Sweden)

    Jing-Jing Zhang

    2012-06-01

    Full Text Available In the title compound, [Cu(C25H22P2S2]PF6, the CuI atom, lying on a twofold rotation axis, adopts a distorted tetrahedral geometry. The (diphenylphosphanylmethyldiphenylphosphane sulfide ligand coordinates to the CuI atom through one S and one P atom, forming a stable five-membered chelate ring. The P atom of the PF6− anion also lies on a twofold rotation axis.

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

    International Nuclear Information System (INIS)

    Kannan, Chellapandian; Sundaram, Thiravium; Palvannan, Thayumanavan

    2008-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-08-30

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

  4. μ-Oxalato-bis[bis(triphenylphosphinecopper(I] dichloromethane disolvateATR dedicates this paper to the honor of Professor S. Peter Tanner for rekindling a love of inorganic chemistry.

    Directory of Open Access Journals (Sweden)

    Andrew D. Royappa

    2013-02-01

    Full Text Available The dinuclear molecule of the title compound, [Cu2(C2O4(C18H15P4]·2CH2Cl2, lies across an inversion center with a strictly planar bridging oxalate ligand coordinating two CuI ions via two pairs of O atoms. Two triphenylphosphine ligands also coordinate each symmetry-related CuI ion, resulting in a distorted tetrahedral geometry [O—Cu—O = 80.57 (5° and P—Cu—P = 125.72 (2°]. In the crystal, there are two dichloromethane solvent molecules for each dinuclear complex.

  5. Practical implementation of tetrahedral mesh reconstruction in emission tomography

    Science.gov (United States)

    Boutchko, R.; Sitek, A.; Gullberg, G. T.

    2013-05-01

    This paper presents a practical implementation of image reconstruction on tetrahedral meshes optimized for emission computed tomography with parallel beam geometry. Tetrahedral mesh built on a point cloud is a convenient image representation method, intrinsically three-dimensional and with a multi-level resolution property. Image intensities are defined at the mesh nodes and linearly interpolated inside each tetrahedron. For the given mesh geometry, the intensities can be computed directly from tomographic projections using iterative reconstruction algorithms with a system matrix calculated using an exact analytical formula. The mesh geometry is optimized for a specific patient using a two stage process. First, a noisy image is reconstructed on a finely-spaced uniform cloud. Then, the geometry of the representation is adaptively transformed through boundary-preserving node motion and elimination. Nodes are removed in constant intensity regions, merged along the boundaries, and moved in the direction of the mean local intensity gradient in order to provide higher node density in the boundary regions. Attenuation correction and detector geometric response are included in the system matrix. Once the mesh geometry is optimized, it is used to generate the final system matrix for ML-EM reconstruction of node intensities and for visualization of the reconstructed images. In dynamic PET or SPECT imaging, the system matrix generation procedure is performed using a quasi-static sinogram, generated by summing projection data from multiple time frames. This system matrix is then used to reconstruct the individual time frame projections. Performance of the new method is evaluated by reconstructing simulated projections of the NCAT phantom and the method is then applied to dynamic SPECT phantom and patient studies and to a dynamic microPET rat study. Tetrahedral mesh-based images are compared to the standard voxel-based reconstruction for both high and low signal-to-noise ratio

  6. Practical implementation of tetrahedral mesh reconstruction in emission tomography

    International Nuclear Information System (INIS)

    Boutchko, R; Gullberg, G T; Sitek, A

    2013-01-01

    This paper presents a practical implementation of image reconstruction on tetrahedral meshes optimized for emission computed tomography with parallel beam geometry. Tetrahedral mesh built on a point cloud is a convenient image representation method, intrinsically three-dimensional and with a multi-level resolution property. Image intensities are defined at the mesh nodes and linearly interpolated inside each tetrahedron. For the given mesh geometry, the intensities can be computed directly from tomographic projections using iterative reconstruction algorithms with a system matrix calculated using an exact analytical formula. The mesh geometry is optimized for a specific patient using a two stage process. First, a noisy image is reconstructed on a finely-spaced uniform cloud. Then, the geometry of the representation is adaptively transformed through boundary-preserving node motion and elimination. Nodes are removed in constant intensity regions, merged along the boundaries, and moved in the direction of the mean local intensity gradient in order to provide higher node density in the boundary regions. Attenuation correction and detector geometric response are included in the system matrix. Once the mesh geometry is optimized, it is used to generate the final system matrix for ML-EM reconstruction of node intensities and for visualization of the reconstructed images. In dynamic PET or SPECT imaging, the system matrix generation procedure is performed using a quasi-static sinogram, generated by summing projection data from multiple time frames. This system matrix is then used to reconstruct the individual time frame projections. Performance of the new method is evaluated by reconstructing simulated projections of the NCAT phantom and the method is then applied to dynamic SPECT phantom and patient studies and to a dynamic microPET rat study. Tetrahedral mesh-based images are compared to the standard voxel-based reconstruction for both high and low signal-to-noise ratio

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

    Science.gov (United States)

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

    2018-06-01

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

  8. Luminescence properties of copper(I), zinc(II) and cadmium(II) coordination compounds with picoline ligands

    Energy Technology Data Exchange (ETDEWEB)

    Małecki, Jan Grzegorz, E-mail: gmalecki@us.edu.pl; Maroń, Anna

    2017-06-15

    Mononuclear coordination compounds of copper(I) – [Cu(PPh{sub 3}){sub 2}(picoline)(NO{sub 3})], zinc(II) – [ZnCl{sub 2}(picoline){sub 2}] (picoline=3– and 4–methylpyridine) and polymeric cadmium(II) – [CdCl{sub 2}(β-picoline){sub 2}]{sub n} were prepared and their luminescence properties in solid state and acetonitrile solutions were determined. Single crystal X-ray crystallography revealed distorted tetrahedral geometry around the central ions of the compounds. The compounds exhibit green photoluminescence in solid state and in acetonitrile solutions. The emission of copper(I) compounds originated from metal-to-ligand charge transfer state combined with nitrato-to-picoline charge transfer state i.e. ({sup 1}(M+X)LCT). The presence of nitrato ligand in the coordination sphere of copper(I) compounds quenches the emission. Luminescence of zinc(II) and cadmium(II) compounds results from chloride-to-picoline charge transfer state and the quantum efficiency in the case of the polymeric Cd(II) compound reaches 39%. The photoluminescence quantum yields of the mononuclear zinc(II) compounds vary from 10 to 16% depending on the conditions (solid state, solution). - Graphical abstract: Coordination compounds of copper(I), zinc(II) and polymeric cadmium(II) with picoline ligands were prepared and their luminescence properties in solid state and acetonitrile solutions were determined. The compounds exhibit green photoluminescence in solid state and in acetonitrile solutions. Emission of copper(I) compounds originated from {sup 1}(M+X)LCT state. Luminescence of zinc(II) and cadmium(II) compounds results from chloride-to-picoline charge transfer state and the quantum efficiency in the case of the polymeric Cd(II) compound reaches 39%. The photoluminescence quantum yields of the mononuclear zinc(II) compounds vary from 10 to 16% depending on the conditions (solid state, solution).

  9. Quininium tetrachloridozinc(II

    Directory of Open Access Journals (Sweden)

    Li-Zhuang Chen

    2009-10-01

    Full Text Available The asymmetric unit of the title compound {systematic name: 2-[hydroxy(6-methoxyquinolin-1-ium-4-ylmethyl]-8-vinylquinuclidin-1-ium tetrachloridozinc(II}, (C20H26N2O2[ZnCl4], consists of a double protonated quininium cation and a tetrachloridozinc(II anion. The ZnII ion is in a slightly distorted tetrahedral coordination environment. The crystal structure is stabilized by intermolecular N—H...Cl and O—H...Cl hydrogen bonds.

  10. Bending Distortion Analysis of a Steel Shaft Manufacturing Chain from Cold Drawing to Grinding

    Science.gov (United States)

    Dias, Vinicius Waechter; da Silva Rocha, Alexandre; Zottis, Juliana; Dong, Juan; Epp, Jérémy; Zoch, Hans Werner

    2017-04-01

    Shafts are usually manufactured from bars that are cold drawn, cut machined, induction hardened, straightened, and finally ground. The main distortion is characterized by bending that appears after induction hardening and is corrected by straightening and/or grinding. In this work, the consequence of the variation of manufacturing parameters on the distortion was analyzed for a complete manufacturing route for production of induction hardened shafts made of Grade 1045 steel. A DoE plan was implemented varying the drawing angle, cutting method, induction hardening layer depth, and grinding penetration depth. The distortion was determined by calculating curvature vectors from dimensional analysis by 3D coordinate measurements. Optical microscopy, microhardness testing, residual stress analysis, and FEM process simulation were used to evaluate and understand effects of the main carriers of distortion potential. The drawing process was identified as the most significant influence on the final distortion of the shafts.

  11. Coordination Structure of Aluminum in Magnesium Aluminum Hydroxide Studied by 27Al NMR

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The coordination structure of aluminum in magnesium aluminum hydroxide was studiedby 27Al NMR. The result showed that tetrahedral aluminum (AlⅣ) existed in magnesiumaluminum hydroxide, and the contents of AlⅣ increased with the increase of the ratio of Al/Mg andwith the peptizing temperature. AlⅣ originated from the so-called Al13 polymer with the structureof one Al tetrahedron surrounded by twelve Al octahedrons.

  12. Crystal structure of Helicobacter pylori neutrophil-activating protein with a di-nuclear ferroxidase center in a zinc or cadmium-bound form

    Energy Technology Data Exchange (ETDEWEB)

    Yokoyama, Hideshi, E-mail: h-yokoya@u-shizuoka-ken.ac.jp [School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526 (Japan); Tsuruta, Osamu; Akao, Naoya; Fujii, Satoshi [School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526 (Japan)

    2012-06-15

    Highlights: Black-Right-Pointing-Pointer Structures of a metal-bound Helicobacter pylori neutrophil-activating protein were determined. Black-Right-Pointing-Pointer Two zinc ions were tetrahedrally coordinated by ferroxidase center (FOC) residues. Black-Right-Pointing-Pointer Two cadmium ions were coordinated in a trigonal-bipyramidal and octahedral manner. Black-Right-Pointing-Pointer The second metal ion was more weakly coordinated than the first at the FOC. Black-Right-Pointing-Pointer A zinc ion was found in one negatively-charged pore suitable as an ion path. -- Abstract: Helicobacter pylori neutrophil-activating protein (HP-NAP) is a Dps-like iron storage protein forming a dodecameric shell, and promotes adhesion of neutrophils to endothelial cells. The crystal structure of HP-NAP in a Zn{sup 2+}- or Cd{sup 2+}-bound form reveals the binding of two zinc or two cadmium ions and their bridged water molecule at the ferroxidase center (FOC). The two zinc ions are coordinated in a tetrahedral manner to the conserved residues among HP-NAP and Dps proteins. The two cadmium ions are coordinated in a trigonal-bipyramidal and distorted octahedral manner. In both structures, the second ion is more weakly coordinated than the first. Another zinc ion is found inside of the negatively-charged threefold-related pore, which is suitable for metal ions to pass through.

  13. 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.

  14. Bis[μ-1,3-bis(diphenylphosphanylpropane-κ2P:P′]digold(I tetrachloridonickelate(II diethyl ether monosolvate

    Directory of Open Access Journals (Sweden)

    Asako Igashira-Kamiyama

    2013-06-01

    Full Text Available The title compound, [Au2(C27H26P22][NiCl4]·C4H10O, consists of a digold(I complex cation, an [NiCl4]2− complex anion and a diethyl ether solvent molecule. Two 1,3-bis(diphenylphosphanylpropane (dppp ligands bridge two AuI atoms, forming a metallacycle in which each of the AuI atoms is coordinated in a slightly distorted linear environment by two P atoms. In the complex anion, the NiII atom is coordinated by four chloride ligands in a distorted tetrahedral geometry. The complex cation and the complex anion form a cation–anion pair through two Au...Cl contacts of 3.040 (1 and 3.021 (2 Å. One of the phenyl groups of the dppp ligand is disordered over two positions with equal occupancies.

  15. A second polymorph with composition Co3(PO42·H2O

    Directory of Open Access Journals (Sweden)

    Yang Kim

    2008-10-01

    Full Text Available Single crystals of Co3(PO42·H2O, tricobalt(II bis[orthophosphate(V] monohydrate, were obtained under hydrothermal conditions. The compound is the second polymorph of this composition and is isotypic with its zinc analogue, Zn3(PO42·H2O. Three independent Co2+ cations are bridged by two independent orthophosphate anions. Two of the metal cations exhibit a distorted tetrahedral coordination while the third exhibits a considerably distorted [5 + 1] octahedral coordination environment with one very long Co—O distance of 2.416 (3 Å. The former cations are bonded to four different phosphate anions, and the latter cation is bonded to four anions (one of which is bidentate and one water molecule, leading to a framework structure. Additional hydrogen bonds of the type O—H...O stabilize this arrangement.

  16. Deviation rectification for dynamic measurement of rail wear based on coordinate sets projection

    International Nuclear Information System (INIS)

    Wang, Chao; Ma, Ziji; Li, Yanfu; Liu, Hongli; Zeng, Jiuzhen; Jin, Tan

    2017-01-01

    Dynamic measurement of rail wear using a laser imaging system suffers from random vibrations in the laser-based imaging sensor which cause distorted rail profiles. In this paper, a simple and effective method for rectifying profile deviation is presented to address this issue. There are two main steps: profile recognition and distortion calibration. According to the constant camera and projector parameters, efficient recognition of measured profiles is achieved by analyzing the geometric difference between normal profiles and distorted ones. For a distorted profile, by constructing coordinate sets projecting from it to the standard one on triple projecting primitives, including the rail head inner line, rail waist curve and rail jaw, iterative extrinsic camera parameter self-compensation is implemented. The distortion is calibrated by projecting the distorted profile onto the x – y plane of a measuring coordinate frame, which is parallel to the rail cross section, to eliminate the influence of random vibrations in the laser-based imaging sensor. As well as evaluating the implementation with comprehensive experiments, we also compare our method with other published works. The results exhibit the effectiveness and superiority of our method for the dynamic measurement of rail wear. (paper)

  17. Deviation rectification for dynamic measurement of rail wear based on coordinate sets projection

    Science.gov (United States)

    Wang, Chao; Ma, Ziji; Li, Yanfu; Zeng, Jiuzhen; Jin, Tan; Liu, Hongli

    2017-10-01

    Dynamic measurement of rail wear using a laser imaging system suffers from random vibrations in the laser-based imaging sensor which cause distorted rail profiles. In this paper, a simple and effective method for rectifying profile deviation is presented to address this issue. There are two main steps: profile recognition and distortion calibration. According to the constant camera and projector parameters, efficient recognition of measured profiles is achieved by analyzing the geometric difference between normal profiles and distorted ones. For a distorted profile, by constructing coordinate sets projecting from it to the standard one on triple projecting primitives, including the rail head inner line, rail waist curve and rail jaw, iterative extrinsic camera parameter self-compensation is implemented. The distortion is calibrated by projecting the distorted profile onto the x-y plane of a measuring coordinate frame, which is parallel to the rail cross section, to eliminate the influence of random vibrations in the laser-based imaging sensor. As well as evaluating the implementation with comprehensive experiments, we also compare our method with other published works. The results exhibit the effectiveness and superiority of our method for the dynamic measurement of rail wear.

  18. Crystal structure of dichloridobis(N,N′-dimethylthiourea-κSmercury(II

    Directory of Open Access Journals (Sweden)

    Muhammad Ashraf Shaheen

    2015-09-01

    Full Text Available The molecular structure of the title compound, [HgCl2(C3H8N2S2], has point group symmetry 2, with the twofold rotation axis passing through the HgII atom. The latter is coordinated by two Cl atoms and two N,N′-dimethylthiourea (Dmtu ligands through their S atoms, defining a distorted tetrahedral coordination sphere with bond angles in the range 102.47 (4–118.32 (4°. Intra- and intermolecular hydrogen bonds of the type N—H...Cl with S(6 and R22(12 ring motifs are present. The intermolecular contacts make up polymeric chains extending parallel to [101].

  19. Dichloridobis(4-methyl-3,5-diphenyl-1H-pyrazole-κN2copper(II

    Directory of Open Access Journals (Sweden)

    Moayad Hossaini Sadr

    2011-12-01

    Full Text Available The asymmetric unit of the title compound, [CuCl2(C16H14N22], comprises half of the complex. The CuII atom lies on a crystallographic twofold rotation axis and shows a significantly distorted tetrahedral coordination geometry. The dihedral angle between the phenyl rings is 74.3 (2°. The crystal structure is stabilized by intermolecular π–π interactions [centroid–centroid distances = 3.635 (2–3.803 (3 Å].

  20. Organoboron compounds. Communication 417. Crystal and molecular structure of 4-acetoxy-4-butyl-2-methyl-3-phenyl1,4-dihydro-1-aza-3-azonia-4-boratanaphthalene

    International Nuclear Information System (INIS)

    Vorontsova, L.G.; Boldyraeva, O.G.; Chizhov, O.S.; Dorokhov, V.A.; Mikhailov, B.M.

    1985-01-01

    In order to elucidate the structure of boronitrogen heterocycles, an x-ray diffraction structural analysis was carried out on the adduct of 4-butyl-2-methyl-3-phenyl-3,4-dihydro-4-boraquinazoline with acetic acid, namely, 4-acetoxy-4-butyl-2-methyl3-phenyl-1,4-dihydro-1-aza-3-azonia-4-boratanaphthalene (DAABN). The molecular structure of DAABN is given, and the atomic coordinates and bond lengths and angles are presented in tables. the boron atom has distorted tetrahedral configuration

  1. Dibromido(6-methyl-2,2′-bipyridine-κ2N,N′zinc(II

    Directory of Open Access Journals (Sweden)

    Vahid Amani

    2010-10-01

    Full Text Available In the title compound, [ZnBr2(C11H10N2], the ZnII atom is four-coordinated in a distorted tetrahedral configuration by two N atoms from a 6-methyl-2,2′-bipyridine ligand and two terminal Br atoms. Weak intermolecular C—H...Br hydrogen bonds and π–π stacking interactions between the pyridine rings [centroid–centroid distances = 3.763 (5 and 3.835 (6 Å] contribute to crystal-packing effects.

  2. {N,N′-Bis[(E-3-phenylallylidene]ethane-1,2-diamine}dichloridozinc(II

    Directory of Open Access Journals (Sweden)

    Zhi-Dong Lin

    2008-12-01

    Full Text Available In the title compound, [ZnCl2(C20H20N2], the ZnII atom is four coordinated in a distorted tetrahedral geometry by two N atoms of the Schiff base ligand and by two Cl atoms. Edge-to-face C—H...π interactions exist between molecules, with a dihedral angle of 37.8 (1° between the benzene ring planes and a shortest H...centroid distance of 3.62 (5 Å.

  3. ALGORITHMS FOR TETRAHEDRAL NETWORK (TEN) GENERATION

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

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

  4. Test of distorted wave kinematic coupling approximation calculations for knockout reactions

    International Nuclear Information System (INIS)

    Jain, A.K.

    1990-01-01

    A test has been devised to check the validity of conventional distorted-wave impulse approximation (DWIA) treatment of knockout reactions. The conventional DWIA formalism separates the three-body final state Schroedinger equation for a knockout reaction into two two-body Schroedinger equations by assuming an asymptotic constant value for the three-body coupling term commonly known as the kinematic coupling approximation (KCA). In the test case, which consists of an extreme asymmetric situation where one of the distorting optical potentials is assumed to vanish, the three-body final state Schroedinger equation can be solved exactly as a product of two two-body solutions using one particular set of relative coordinates. Large influence of the three-body coupling term is seen in the comparison of the exact and KCA results for (α,2α) and (p,pα) knockout reactions when the distorting optical potentials are weakly absorbing

  5. 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)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-11-15

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

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

    International Nuclear Information System (INIS)

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

    2010-01-01

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

  8. New Geometric-distortion Solution for STIS FUV-MAMA

    Science.gov (United States)

    Sohn, S. Tony

    2018-04-01

    We derived a new geometric distortion solution for the STIS FUV-MAMA detector. To do this, positions of stars in 89 FUV-MAMA observations of NGC 6681 were compared to an astrometric standard catalog created using WFC3/UVIS imaging data to derive a fourth-order polynomial solution that transforms raw (x, y) positions to geometrically- corrected (x, y) positions. When compared to astrometric catalog positions, the FUV- MAMA position measurements based on the IDCTAB showed residuals with an RMS of ∼ 30 mas in each coordinate. Using the new IDCTAB, the RMS is reduced to ∼ 4 mas, or 0.16 FUV-MAMA pixels, in each coordinate. The updated IDCTAB is now being used in the HST STIS pipeline to process all STIS FUV-MAMA images.

  9. Alkali metal – yttrium borohydrides: The link between coordination of small and large rare-earth

    International Nuclear Information System (INIS)

    Sadikin, Yolanda; Stare, Katarina; Schouwink, Pascal; Brix Ley, Morten; Jensen, Torben R.; Meden, Anton; Černý, Radovan

    2015-01-01

    The system Li–A–Y–BH 4 (A=K, Rb, Cs) is found to contain five new compounds and four further ones known from previous work on the homoleptic borohydrides. Crystal structures have been solved and refined from synchrotron X-ray powder diffraction, thermal stability of new compounds have been investigated and ionic conductivity measured for selected samples. Significant coordination flexibility for Y 3+ is revealed, which allows the formation of both octahedral frameworks and tetrahedral complex anions with the tetrahydroborate anion BH 4 both as a linker and terminal ligand. Bi- and trimetallic cubic double-perovskites c-A 3 Y(BH 4 ) 6 or c-A 2 LiY(BH 4 ) 6 (A=Rb, Cs) form in all the investigated systems, with the exception of the Li–K–Y system. The compounds with the stoichiometry AY(BH 4 ) 4 crystallize in all investigated systems with a great variety of structure types which find their analog amongst metal oxides. In-situ formation of a new borohydride – closo-borane is observed during decomposition of all double perovskites. - Graphical abstract: The system Li–A–Y–BH 4 (A=K, Rb, Cs) is found to contain five novel compounds and four further ones previously reported. Significant coordination flexibility of Y 3+ is revealed, which can be employed to form both octahedral frameworks and tetrahedral complex anions, very different structural topologies. Versatility is also manifested in three different simultaneously occurring coordination modes of borohydrides for one metal cation, as proposed by DFT optimization of the monoclinic KY(BH 4 ) 4 structural model observed by powder diffraction. - Highlights: • The system Li-A-Y-BH 4 (A=K, Rb, Cs) contains nine compounds in total. • Y 3+ forms octahedral frameworks and tetrahedral complex anions. • Bi- and trimetallic double-perovskites crystallize in most systems. • Various AY(BH 4 ) 4 crystallize with structure types analogous to metal oxides. • Double-perovskites decompose and form a novel

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

    Science.gov (United States)

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

    2018-04-01

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

  12. A high precision recipe for correcting images distorted by a tapered fiber optic

    International Nuclear Information System (INIS)

    Islam, M Sirajul; Kitchen, M J; Lewis, R A; Uesugi, K

    2010-01-01

    Images captured with a tapered fiber optic camera show significant spatial distortion mainly because the spatial orientation of the fiber bundles is not identical at each end of the taper. We present three different techniques for the automatic distortion correction of images acquired with a charge-coupled device (CCD) camera bonded to a tapered optical fiber. In this paper we report - (i) comparison of various methods for distortion correction (ii) extensive quantitative analysis of the techniques and (iii) experiments carried out using a high resolution fiber optic camera. A pinhole array was used to find control points in the distorted image space. These control points were then associated with their known true coordinates. To apply geometric correction, three different approaches were investigated - global polynomial fitting, local polynomial fitting and triangulated interpolation. Sub-pixel accuracy was achieved in all approaches, but the experimental results reveal that the triangulated interpolation gave the most satisfactory result for the distortion correction. The effect of proper alignment of the mask with the fiber optic taper (FOT) camera was also investigated. It was found that the overall dewarping error is minimal when the mask is almost parallel to the CCD.

  13. 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

    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 CysAspHis2 coordination sphere. Zinc finger sites containing only one cysteine have been infrequently characterized. We show for the CysAspHis2 coordination an intense d-d transition band, blue-shifted with respect to the Cys2His2 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. PMID:29386985

  14. Synthesis and structural characterisation of iron(II) and copper(II) diphosphates containing flattened metal oxotetrahedra

    Energy Technology Data Exchange (ETDEWEB)

    Keates, Adam C. [School of Chemistry, University of Southampton, Southampton, Hampshire SO17 1B,. UK (United Kingdom); Wang, Qianlong [Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY (United Kingdom); Weller, Mark T., E-mail: m.t.weller@bath.ac.uk [Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY (United Kingdom)

    2014-02-15

    Single crystal and bulk polycrystalline forms of K{sub 2}MP{sub 2}O{sub 7} (M=Fe(II), Cu(II)) have been synthesised and their structures determined from single crystal X-ray diffraction data. Both compounds crystallize in the tetragonal system, space group P-42{sub 1}m. Their structures are formed from infinite sheets of linked oxopolyhedra of the stoichiometry [MP{sub 2}O{sub 7}]{sup 2−} with potassium cations situated between the layers. The MO{sub 4} tetrahedra share oxygen atoms with [P{sub 2}O{sub 7}]{sup 4−} diphosphate groups and the potassium ions have KO{sub 8} square prismatic geometry. In both compounds the M(II) centre has an unusual strongly flattened, tetrahedral coordination to oxygen, as a result of the Jahn–Teller (JT) effect for the high spin d{sup 6} Fe(II) and p-orbital mixing or a second order JT effect for d{sup 9} Cu(II) centres in four fold coordination. The uncommon transition metal ion environments found in these materials are reflected in their optical absorption spectra and magnetism data. - Graphical abstract: The structures of the tetragonal polymorphs of K{sub 2}MP{sub 2}O{sub 7}, M=Cu(II), Fe(II), consist of infinite sheets of stoichiometry [MP{sub 2}O{sub 7}]{sup 2−}, formed from linked pyrophosphate groups and MO{sub 4} tetrahedra, separated by potassium ions. In both compounds the unusual tetrahedral coordination of the M(II) centre is strongly flattened as a result of Jahn–Teller (JT) effects for high spin, d{sup 6} Fe(II) and p-orbital mixing and second-order JT effects for d{sup 9} Cu(II). Display Omitted - Highlights: • Tetrahedral copper and iron(II) coordinated by oxygen. • New layered phosphate structure. • Jahn–Teller and d{sup 10} distorted coordinations.

  15. Synthesis and structural characterisation of iron(II) and copper(II) diphosphates containing flattened metal oxotetrahedra

    International Nuclear Information System (INIS)

    Keates, Adam C.; Wang, Qianlong; Weller, Mark T.

    2014-01-01

    Single crystal and bulk polycrystalline forms of K 2 MP 2 O 7 (M=Fe(II), Cu(II)) have been synthesised and their structures determined from single crystal X-ray diffraction data. Both compounds crystallize in the tetragonal system, space group P-42 1 m. Their structures are formed from infinite sheets of linked oxopolyhedra of the stoichiometry [MP 2 O 7 ] 2− with potassium cations situated between the layers. The MO 4 tetrahedra share oxygen atoms with [P 2 O 7 ] 4− diphosphate groups and the potassium ions have KO 8 square prismatic geometry. In both compounds the M(II) centre has an unusual strongly flattened, tetrahedral coordination to oxygen, as a result of the Jahn–Teller (JT) effect for the high spin d 6 Fe(II) and p-orbital mixing or a second order JT effect for d 9 Cu(II) centres in four fold coordination. The uncommon transition metal ion environments found in these materials are reflected in their optical absorption spectra and magnetism data. - Graphical abstract: The structures of the tetragonal polymorphs of K 2 MP 2 O 7 , M=Cu(II), Fe(II), consist of infinite sheets of stoichiometry [MP 2 O 7 ] 2− , formed from linked pyrophosphate groups and MO 4 tetrahedra, separated by potassium ions. In both compounds the unusual tetrahedral coordination of the M(II) centre is strongly flattened as a result of Jahn–Teller (JT) effects for high spin, d 6 Fe(II) and p-orbital mixing and second-order JT effects for d 9 Cu(II). Display Omitted - Highlights: • Tetrahedral copper and iron(II) coordinated by oxygen. • New layered phosphate structure. • Jahn–Teller and d 10 distorted coordinations

  16. Dichlorido{2-[(5-methyl-1H-pyrazol-3-yl-κN2methyl]-1H-1,3-benzimidazole-κN3}zinc

    Directory of Open Access Journals (Sweden)

    Karim Chkirate

    2017-01-01

    Full Text Available The asymmetric unit of the title complex, [ZnCl2(C12H12N4], contains two independent molecules having similar conformations. The coordination about the ZnII atom is distorted tetrahedral, with the geometrical constraints of the chelating ligand responsible for the observed distortion. Each of the independent molecules forms chains in the crystal through pairs of N—H...Cl hydrogen bonds, using the pyrazole and benzimidazole N—H groups as donors. The first molecule forms chains running parallel to the b axis, while the other molecule affords the same kind of one-dimensional supramolecular structure parallel to the a axis. The structure was refined as a two-component twin with BASF = 0.0437 (4.

  17. Synthesis and characterization of 6,6'-(2,4,6-triisopropylphenyl)-2,2'-bipyridine (tripbipy) and its complexes of the late first row transition metals.

    Science.gov (United States)

    Benson, Eric E; Rheingold, Arnold L; Kubiak, Clifford P

    2010-02-15

    The synthesis of tripbipy, a new substituted bipyridine ligand (6,6'-(2,4,6-triisopropylphenyl)-2,2'-bipyridine), and the syntheses, structures, and magnetic properties of the first coordination compounds based on this ligand are described. Tripbipy was synthesized by the Suzuki coupling of 2,4,6-triisopropylphenyl boronic acid and 6,6'-dibromo-2,2'-bipyridine. Reported here are the tripbipy complexes of five late first row transition metal chlorides (MCl(2); M = Fe, Co, Ni, Cu, Zn). Four of the complexes MCl(2)tripbipy (M = Fe, Co, Ni, Zn) crystallize in the space group P2(1)/c and are isomorphous with one solvent molecule of crystallization. The complex CuCl(2)tripbipy crystallizes in the space group P2(1)2(1)2(1) with two solvent molecules of crystallization. All MCl(2)tripbipy complexes are four coordinate and contain distorted tetrahedral metal centers. CuCl(2)tripbipy shows a pseudo Jahn-Teller distortion, and X-band electron paramagnetic resonance (EPR) in a toluene glass gives approximate g( perpendicular, parallel) values of 2.2 and 2.1. Magnetic measurements (M = Fe, Co, Ni, Cu) are consistent with high spin d(n) configurations (n = 6-9, S = 2, 3/2, 1, 1/2) tetrahedral complexes and give chi(M)T values at 300 K of 3.56, 2.10, 1.01, and 0.37 cm(3) M(-1) K, respectively.

  18. 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.

  19. Poly[aqua(μ3-pyridazine-4-carboxylato-κ2O:O:O′lithium

    Directory of Open Access Journals (Sweden)

    Wojciech Starosta

    2011-04-01

    Full Text Available The structure of the title compound, [Li(C5H3N2O2(H2O]n, is composed of centrosymmetric dimers in which two LiI ions are bridged by a carboxylate O atom, each donated by a ligand, acting in a bidentate mode. The second carboxylato O atoms bridge the dimers to LiI ions in adjacent dimers, forming molecular layers parallel to (001. Each LiI ion is coordinated by two bridging carboxylate O atoms, a bridging carboxylate O atom donated by the adjacent dimer and an aqua O atom, resulting in a distorted tetrahedral coordination geometry. The layers are held together by O—H...N hydrogen bonds in which coordinated water O atoms act as donors and ligand hetero-ring N atoms as acceptors.

  20. (O-Methyl di-thio-carbonato-κS)tri-phenyl-tin(IV).

    Science.gov (United States)

    Javed, Fatima; Ali, Saqib; Shah, Wajid; Tahir, M Nawaz; Ullah, Hameed

    2013-06-01

    In the title compound, [Sn(C6H5)3(C2H3OS2)], the Sn(IV) atom adopts a distorted SnC3S tetra-hedral coordination geometry. A short Sn⋯O contact [2.988 (4) Å] is also present. The phenyl rings are each disordered over two sets of sites with an occupancy ratio of 0.550 (8):0.450 (8). The crystal studied was found to be a racemic twin with a twin component ratio of 0.57 (18):0.43 (18).

  1. [4,6-Dimethylpyrimidine-2(1H-thione-κS]iodidobis(triphenylphosphane-κPcopper(I

    Directory of Open Access Journals (Sweden)

    Chaveng Pakawatchai

    2012-06-01

    Full Text Available In the mononuclear title complex, [CuI(C6H8N2S(C18H15P2], the CuI ion is in a slightly distorted tetrahedral coordination geometry formed by two P atoms from two triphenylphosphane ligands, one S atom from a 4,6-dimethylpyrimidine-2(1H-thione ligand and one iodide ion. There is an intramolecular N—H...I hydrogen bond. In the crystal, π–π stacking interactions [centroid–centroid distance = 3.594 (1 Å] are observed.

  2. Split-Cell Exponential Characteristic Transport Method for Unstructured Tetrahedral Meshes

    International Nuclear Information System (INIS)

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

    2001-01-01

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

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

    Science.gov (United States)

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

    2018-05-01

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

  4. 'Distorted structure modelling' - a more physical approach to Rapid Distortion Theory

    International Nuclear Information System (INIS)

    Savill, A.M.

    1979-11-01

    Rapid Distortion Theory is reviewed in the light of the modern mechanistic approach to turbulent motion. The apparent failure of current models, based on this theory, to predict stress intensity ratios accurately in distorted shear flows is attributed to their oversimplistic assumptions concerning the inherent turbulence structure of such flows. A more realistic picture of this structure and the manner in which it responds to distortion is presented in terms of interactions between the mean flow and three principal types of eddies. If Rapid Distortion Theory is modified to account for this it is shown that the stress intensity ratios can be accurately predicted in three test flows. It is concluded that a computational scheme based on Rapid Distortion Theory might ultimately be capable of predicting turbulence parameters in the highly complex geometries of reactor cooling systems. (author)

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

    Science.gov (United States)

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

    2015-01-01

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

  6. Kinetic control of intralayer cobalt coordination in layered hydroxides: Co(1-0.5x)(oct) Co(x)(tet) (OH)2 (Cl)x (H2O)n.

    Science.gov (United States)

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

    2009-12-07

    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 (H2O)n, all modifications of an alpha-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.

  7. Alkali metal – yttrium borohydrides: The link between coordination of small and large rare-earth

    Energy Technology Data Exchange (ETDEWEB)

    Sadikin, Yolanda [Department of Quantum Matter Physics, Laboratory of Crystallography, University of Geneva, Quai Ernest-Ansermet 24, CH-1211 Geneva (Switzerland); Stare, Katarina [Department of Quantum Matter Physics, Laboratory of Crystallography, University of Geneva, Quai Ernest-Ansermet 24, CH-1211 Geneva (Switzerland); Faculty of Chemistry and Chemical Technology, University of Ljubljana, Aškerjeva 5, SI-1000 Ljubljana (Slovenia); Schouwink, Pascal [Department of Quantum Matter Physics, Laboratory of Crystallography, University of Geneva, Quai Ernest-Ansermet 24, CH-1211 Geneva (Switzerland); Brix Ley, Morten; Jensen, Torben R. [Center for Materials Crystallography (CMC), Interdisciplinary Nanoscience Center (iNANO), and Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Århus C (Denmark); Meden, Anton [Faculty of Chemistry and Chemical Technology, University of Ljubljana, Aškerjeva 5, SI-1000 Ljubljana (Slovenia); Černý, Radovan, E-mail: radovan.cerny@unige.ch [Department of Quantum Matter Physics, Laboratory of Crystallography, University of Geneva, Quai Ernest-Ansermet 24, CH-1211 Geneva (Switzerland)

    2015-05-15

    The system Li–A–Y–BH{sub 4} (A=K, Rb, Cs) is found to contain five new compounds and four further ones known from previous work on the homoleptic borohydrides. Crystal structures have been solved and refined from synchrotron X-ray powder diffraction, thermal stability of new compounds have been investigated and ionic conductivity measured for selected samples. Significant coordination flexibility for Y{sup 3+} is revealed, which allows the formation of both octahedral frameworks and tetrahedral complex anions with the tetrahydroborate anion BH{sub 4} both as a linker and terminal ligand. Bi- and trimetallic cubic double-perovskites c-A{sub 3}Y(BH{sub 4}){sub 6} or c-A{sub 2}LiY(BH{sub 4}){sub 6} (A=Rb, Cs) form in all the investigated systems, with the exception of the Li–K–Y system. The compounds with the stoichiometry AY(BH{sub 4}){sub 4} crystallize in all investigated systems with a great variety of structure types which find their analog amongst metal oxides. In-situ formation of a new borohydride – closo-borane is observed during decomposition of all double perovskites. - Graphical abstract: The system Li–A–Y–BH{sub 4} (A=K, Rb, Cs) is found to contain five novel compounds and four further ones previously reported. Significant coordination flexibility of Y{sup 3+} is revealed, which can be employed to form both octahedral frameworks and tetrahedral complex anions, very different structural topologies. Versatility is also manifested in three different simultaneously occurring coordination modes of borohydrides for one metal cation, as proposed by DFT optimization of the monoclinic KY(BH{sub 4}){sub 4} structural model observed by powder diffraction. - Highlights: • The system Li-A-Y-BH{sub 4} (A=K, Rb, Cs) contains nine compounds in total. • Y{sup 3+} forms octahedral frameworks and tetrahedral complex anions. • Bi- and trimetallic double-perovskites crystallize in most systems. • Various AY(BH{sub 4}){sub 4} crystallize with

  8. Holographic measurement of distortion during laser melting: Additive distortion from overlapping pulses

    Science.gov (United States)

    Haglund, Peter; Frostevarg, Jan; Powell, John; Eriksson, Ingemar; Kaplan, Alexander F. H.

    2018-03-01

    Laser - material interactions such as welding, heat treatment and thermal bending generate thermal gradients which give rise to thermal stresses and strains which often result in a permanent distortion of the heated object. This paper investigates the thermal distortion response which results from pulsed laser surface melting of a stainless steel sheet. Pulsed holography has been used to accurately monitor, in real time, the out-of-plane distortion of stainless steel samples melted on one face by with both single and multiple laser pulses. It has been shown that surface melting by additional laser pulses increases the out of plane distortion of the sample without significantly increasing the melt depth. The distortion differences between the primary pulse and subsequent pulses has also been analysed for fully and partially overlapping laser pulses.

  9. Modeling amorphization of tetrahedral structures under local approaches

    International Nuclear Information System (INIS)

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

    1997-01-01

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

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

    DEFF Research Database (Denmark)

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

    2014-01-01

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

  11. 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

  12. Cobalt coordination and clustering in alpha-Co(OH)(2) revealed by synchrotron X-ray total scattering.

    Science.gov (United States)

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

    2010-09-03

    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 alpha-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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-10-23

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

  14. Crystal structure of bis-[(acetato-κO)(imidazolidine-2-thione-κS)bis-(tri-phenyl-phosphane-κP)silver(I)] di-μ-imidazol-idine-2-thione-κ(4) S:S-bis-[(imidazol-id-ine-2-thione-κS)bis-(tri-phenyl-phosphane-κP)silver(I)] di-acetate aceto-nitrile disolvate tetra-hydrate.

    Science.gov (United States)

    Nimthong-Roldán, Arunpatcha; Ratthiwan, Janejira; Lakmas, Sawanya; Wattanakanjana, Yupa

    2016-04-01

    In the title compound, [Ag2(C3H6N2S)4(C18H15P)2](C2H3O2)2·[Ag(C2H3O2)(C3H6N2S)(C18H15P)2]2·2C2H3N·4H2O, the Ag(I) ion in the mononuclear neutral complex exhibits a distorted tetra-hedral environment with coordination by two P atoms from tri-phenyl-phosphane (PPh3) ligands, one S atom of an imidazolidine-2-thione (etu) ligand and one O atom of an acetate anion. The binuclear cationic complex comprises two inversion-related [Ag(C3H6N2S)2(C18H15P)] units with Ag(I) ions bridged by two S atoms from etu ligands forming a four-membered Ag-S-Ag-S ring. Each Ag(I) ion is coordinated by a P atom of a PPh3 ligand, two S atoms of bridging etu ligands and the terminal S atom of an etu ligand in a distorted tetra-hedral environment. In the crystal, the mononuclear complex is linked to lattice water mol-ecules through O-H⋯O and N-H⋯O hydrogen bonds, forming a chain along [100]. In addition, the binuclear complex mol-ecules are connected to acetate anions and lattice water mol-ecules via O-H⋯O, N-H⋯O and O-H⋯S hydrogen bonds, also along [100].

  15. Selecting Map Projections in Minimizing Area Distortions in GIS Applications

    Directory of Open Access Journals (Sweden)

    Ahmet Kaya

    2008-12-01

    Full Text Available Varioussoftware for Geographical Information Systems (GISs have been developed and used in many different engineering projects. In GIS applications, map coverage is important in terms of performing reliable and meaningful queries. Map projections can be conformal, equal-area and equidistant. The goal of an application plays an important role in choosing one of those projections. Choosing the equal-area projection for an application in which area information is used (forestry, agriculture, ecosystem etc reduces the amount of distortion on the area, but many users using GIS ignore this fact and continue to use applications with present map sheets no matter in what map projection it is. For example, extracting area information from data whose country system’s map sheet is in conformal projection is relatively more distorted, compared to an equal-area projection one. The goal of this study is to make the best decision in choosing the most proper equal-area projection among the choices provided by ArcGIS 9.0, which is a popular GIS software package, and making a comparison on area errors when conformal projection is used. In this study, the area of parcels chosen in three different regions and geographic coordinates and whose sizes vary between 0.01 to 1,000,000 ha are calculated according to Transversal Mercator (TM, 3°, Universal Transversal Mercator (UTM, 6° and 14 different equal-area projections existing in the ArcGIS 9.0 GIS software package. The parcel areas calculated with geographical coordinates are accepted as definite. The difference between the sizes calculated according to projection coordinates and real sizes of the parcels are determined. Consequently, the appropriate projections are decided for the areas smaller and equal than 1,000 ha and greater than 1,000 ha in the GIS software package.

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

    Science.gov (United States)

    Smallenburg, Frank; Filion, Laura; Sciortino, Francesco

    2014-09-01

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

  17. In situ dehydration of yugawaralite

    DEFF Research Database (Denmark)

    Artioli, G.; Ståhl, Kenny; Cruciani, G.

    2001-01-01

    The structural response of the natural zeolite yugawaralite (CaAl2Si6O16. 4H(2)O) upon thermally induced dehydration has been studied by Rietveld analysis of temperature-resolved powder diffraction data collected in situ in the temperature range 315-791 K using synchrotron radiation. The room...... progressively disappearing as the dehydration proceeds. The yugawaralite structure reacts to the release of water molecules with small changes in the Ca-O bond distances and minor distortions of the tetrahedral framework up to about 695 K. Above this temperature the Ca coordination falls below 7 (four framework...

  18. [1,2-Bis(diisopropyl-phosphan-yl)ethane-κ(2) P,P'](carbonato-κ(2) O,O')nickel(II).

    Science.gov (United States)

    Morales-Becerril, Illan; Flores-Alamo, Marcos; Garcia, Juventino J

    2013-04-01

    In the crystal of the title compound, [Ni(CO3)(C14H32P2)], the metal center in each of three independent mol-ecules shows slight tetra-hedral distortion from ideal square-planar coordination geometry, with angles between the normals to the planes defined by the cis-P-Ni-P and cis-O-Ni-O fragments of 3.92 (17), 0.70 (16) and 2.17 (14)° in the three mol-ecules. In the crystal, there are inter-molecular C-H⋯O hydrogen bonds that show a laminar growth in the ab plane.

  19. (Nitrato-κ2O,O′bis[(E-N-(pyridin-4-ylmethylidene-κNhydroxyamine]silver(I

    Directory of Open Access Journals (Sweden)

    Shan Gao

    2012-12-01

    Full Text Available In the mononuclear title compound, [Ag(NO3(C6H6N2O2], the AgI atom is located on a twofold rotation axis and the nitrate-chelated AgI atom is further coordinated by two aromatic N atoms of hydroxylamine ligands in a distorted tetrahedral geometry. In the crystal, the nitrate ion has 2 symmetry with the N atom and one O atom located on the twofold rotation axis, and is linked to hydroxy groups of the hydroxylamine ligands by O—H...O hydrogen bonds, generating a chain running along the b axis.

  20. Tetrakis(acetonitrilecopper(I hydrogen oxalate–oxalic acid–acetonitrile (1/0.5/0.5

    Directory of Open Access Journals (Sweden)

    A. Timothy Royappa

    2013-10-01

    Full Text Available In the title compound, [Cu(CH3CN4](C2HO4·0.5C2H2O4·0.5CH3CN, the CuI ion is coordinated by the N atoms of four acetonitrile ligands in a slightly distorted tetrahedral environment. The oxalic acid molecule lies across an inversion center. The acetonitrile solvent molecule is disordered across an inversion center and was refined with half occupancy. In the crystal, the hydrogen oxalate anions and oxalic acid molecules are linked via O—H...O hydrogen bonds, forming chains along [010].

  1. Closed orbit distortion and the beam-beam interaction

    Energy Technology Data Exchange (ETDEWEB)

    Furman, M.; Chin, Y.H.; Eden, J. [Lawrence Berkeley Lab., CA (United States); Kozanecki, W. [CEA Centre d`Etudes Nucleaires de Saclay, 91 - Gif-sur-Yvette (France)]|[Stanford Linear Accelerator Center, Menlo Park, CA (United States); Tennyson, J.; Ziemann, V. [Stanford Linear Accelerator Center, Menlo Park, CA (United States)

    1992-06-01

    We study the applicability of beam-beam deflection techniques as a tuning tool for the SLAC/LBL/LLNL B factory, PEP-II. Assuming that the closed orbits of the two beams are separated vertically at the interaction point by a local orbit bump that is nominally closed, we calculate the residual beam orbit distortions due to the beam-beam interaction. Difference orbit measurements, performed at points conveniently distant from the IP, provide distinct coordinate- or frequency-space signatures that can be used to maintain the beams in collision and perform detailed optical diagnostics at the IP. A proposal to test this method experimentally at the TRISTAN ring is briefly discussed.

  2. Closed orbit distortion and the beam-beam interaction

    International Nuclear Information System (INIS)

    Furman, M.; Chin, Y.H.; Eden, J.; Kozanecki, W.; Tennyson, J.; Ziemann, V.

    1992-01-01

    We study the applicability of beam-beam deflection techniques as a tuning tool for the SLAC/LBL/LLNL B factory, PEP-II. Assuming that the closed orbits of the two beams are separated vertically at the interaction point by a local orbit bump that is nominally closed, we calculate the residual beam orbit distortions due to the beam-beam interaction. Difference orbit measurements, performed at points conveniently distant from the IP, provide distinct coordinate- or frequency-space signatures that can be used to maintain the beams in collision and perform detailed optical diagnostics at the IP. A proposal to test this method experimentally at the TRISTAN ring is briefly discussed

  3. The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

    International Nuclear Information System (INIS)

    Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D.

    2004-01-01

    X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca 2 Ge 0.8 Cr 0.2 O 4 , Ba 2 Ge 0.1 Cr 0.9 O 4 , Sr 2 CrO 4 , Ca 2 (PO 4 ) x (CrO 4 ) 1-x Cl (x=0.25,0.5), Ca 5 (CrO 4 ) 3 Cl, CrO 3 , the octahedrally coordinated compounds Cr(II)-acetate, CrCl 3 , CrF 3 , Cr 2 O 3 , KCr(SO 4 ) 2 · 12H 2 O, CrO 2 and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code

  4. The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

    Science.gov (United States)

    Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D.

    2004-05-01

    X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca 2Ge 0.8Cr 0.2O 4, Ba 2Ge 0.1Cr 0.9O 4, Sr 2CrO 4, Ca 2(PO 4) x(CrO 4) 1- xCl ( x=0.25,0.5), Ca 5(CrO 4) 3Cl, CrO 3, the octahedrally coordinated compounds Cr(II)-acetate, CrCl 3, CrF 3, Cr 2O 3, KCr(SO 4) 2 · 12H 2O, CrO 2 and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code.

  5. Insulation co-ordination in high-voltage electric power systems

    CERN Document Server

    Diesendorf, W

    2015-01-01

    Insulation Co-ordination in High-Voltage Electric Power Systems deals with the methods of insulation needed in different circumstances. The book covers topics such as overvoltages and lightning surges; disruptive discharge and withstand voltages; self-restoring and non-self-restoring insulation; lightning overvoltages on transmission lines; and the attenuation and distortion of lightning surges. Also covered in the book are topics such as the switching surge designs of transmission lines, as well as the insulation coordination of high-voltage stations. The text is recommended for electrical en

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

    Science.gov (United States)

    Smallenburg, Frank; Filion, Laura; Sciortino, Francesco

    2014-09-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-12-21

    We reviewed the persistent ability of tripodal TREN-based tris-urea receptors (TREN = tris(2-aminoethyl)amine) to self-assemble with a variety of oxoanions into dimeric capsules upon crystallization. The capsule crystallization allows for charge-, shape-, and size-selective encapsulation of tetrahedral XO4n-anions (n = 2,3), and provides an effective way to separate these anions from competitive aqueous environments.

  8. Limited distortion in LSB steganography

    Science.gov (United States)

    Kim, Younhee; Duric, Zoran; Richards, Dana

    2006-02-01

    It is well known that all information hiding methods that modify the least significant bits introduce distortions into the cover objects. Those distortions have been utilized by steganalysis algorithms to detect that the objects had been modified. It has been proposed that only coefficients whose modification does not introduce large distortions should be used for embedding. In this paper we propose an effcient algorithm for information hiding in the LSBs of JPEG coefficients. Our algorithm uses parity coding to choose the coefficients whose modifications introduce minimal additional distortion. We derive the expected value of the additional distortion as a function of the message length and the probability distribution of the JPEG quantization errors of cover images. Our experiments show close agreement between the theoretical prediction and the actual additional distortion.

  9. Tetrahedral mesh generation of real terrain and topography effect on ERT image in Beishan region, Gansu province

    International Nuclear Information System (INIS)

    Lu Debao; Zhou Qiyou; Xiao Anlin; Song Zhen

    2014-01-01

    The paper starts from tetrahedral meshes generation of real terrain, a detailed way of tetradralization toward complicated terrain has been proposed based on comparing of advantage and disadvantage of several methods. DEM image has been used to help to generate tetrahedral mesh of research area. And then, forward soft Gmdata is used to calculate and analyze the topography effect on ERT Image with different kinds of terrain. Meanwhile, a quantitative way to define the topography effect was presented. Based on that, the method is used to eliminate the topography effect. The results show the method is effective and useful. (authors)

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

    Science.gov (United States)

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

    2017-11-01

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

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

    Science.gov (United States)

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

    2017-01-01

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

  12. Poly[[μ2-2,2′-diethyl-1,1′-(butane-1,4-diyldiimidazole-κ2N3:N3′](μ2-5-hydroxyisophthalato-κ2O1:O3zinc

    Directory of Open Access Journals (Sweden)

    Ying-Ying Liu

    2011-11-01

    Full Text Available In the title coordination polymer, [Zn(C8H4O5(C14H22N4]n, the ZnII cation is coordinated by an O2N2 donor set in a distorted tetrahedral geometry. The ZnII ions are linked by μ2-OH-bdc (OH-H2bdc = 5-hydroxyisophthalic acid and bbie ligands [bbie = 2,2′-diethyl-1,1′-(butane-1,4-diyldiimidazole], forming a two-dimensional layer parallel to the ab plane. The layers are further connected through intermolecular C—H...O and O—H...O hydrogen bonds, forming a three-dimensional supramolecular structure. In the bbie ligand, the two C atoms in the ethyl group are each disordered over two positions with a site-occupancy ratio of 0.69:0.31.

  13. First-principles study of Ga-vacancy induced magnetism in β-Ga2O3.

    Science.gov (United States)

    Yang, Ya; Zhang, Jihua; Hu, Shunbo; Wu, Yabei; Zhang, Jincang; Ren, Wei; Cao, Shixun

    2017-11-01

    First principles calculations based on density functional theory were performed to study the electronic structure and magnetic properties of β-Ga 2 O 3 in the presence of cation vacancies. We investigated two kinds of Ga vacancies at different symmetry sites and the consequent structural distortion and defect states. We found that both the six-fold coordinated octahedral site and the four-fold coordinated tetrahedral site vacancies can lead to a spin polarized ground state. Furthermore, the calculation identified a relationship between the spin polarization and the charge states of the vacancies, which might be explained by a molecular orbital model consisting of uncompensated O 2- 2p dangling bonds. The calculations for the two vacancy systems also indicated a potential long-range ferromagnetic order which is beneficial for spintronics application.

  14. 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.

  15. Poly[μ-aqua-diaqua(μ2-pyrazine-2,3-dicarboxylatodilithium(I

    Directory of Open Access Journals (Sweden)

    Kutalmis Guven

    2009-12-01

    Full Text Available The asymmetric unit of the title compound, [Li2(C6H2N2O4(H2O3]n, consists of two independent Li+ cations, one pyrazine-2,3-dicarboxylate dianion and three water molecules. One of the Li+ cations has a distorted tetrahedral geometry, coordinated by one of the carboxylate O atoms of the pyrazine-2,3-dicarboxylate ligand and three O atoms from three water molecules, whereas the other Li+ cation has a distorted trigonal-bipyramidal geometry, coordinated by a carboxylate O atom of a symmetry-related pyrazine-2,3-dicarboxylate ligand, two water molecules and a chelating pyrazine-2,3-dicarboxylate ligand (by utilizing both N and O atoms of an adjacent molecule. The synthesis of a hydrated polymeric dinuclear lithium complex formed with two pyrazine-2,3-dicarboxylic acid ligands has been reported previously [Tombul et al. (2008a. Acta Cryst. E64, m491–m492]. By comparision to the complex reported here, the dinuclear complex formed with two pyrazine-2,3-dicarboxylic acid ligands differs in the coordination geometry of both Li atoms. The crystal structure further features O—H...O and O—H...N hydrogen-bonding interactions involving the water molecules and carboxylate O atoms.

  16. The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D

    2004-05-10

    X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca{sub 2}Ge{sub 0.8}Cr{sub 0.2}O{sub 4}, Ba{sub 2}Ge{sub 0.1}Cr{sub 0.9}O{sub 4}, Sr{sub 2}CrO{sub 4}, Ca{sub 2}(PO{sub 4}){sub x}(CrO{sub 4}){sub 1-x}Cl (x=0.25,0.5), Ca{sub 5}(CrO{sub 4}){sub 3}Cl, CrO{sub 3}, the octahedrally coordinated compounds Cr(II)-acetate, CrCl{sub 3}, CrF{sub 3}, Cr{sub 2}O{sub 3}, KCr(SO{sub 4}){sub 2} {center_dot} 12H{sub 2}O, CrO{sub 2} and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code.

  17. Capital Income Tax Coordination and the Income Tax Mix

    DEFF Research Database (Denmark)

    Huizinga, Harry; Nielsen, Søren Bo

    2005-01-01

    in the mix of capital and labor taxes brought on by capital income tax coordination can potentially be welfare reducing. This reflects that in a non-cooperative equilibrium capital income taxes may be more distorting from an international perspective than are labor income taxes. Simulations with a simple...... model calibrated to EU public finance data suggest that countries indeed lower their labor taxes in response to higher coordinated capital income taxes. The overall welfare effects of capital income tax coordination, however, are estimated to remain positive.JEL Classification: F20, H87......Europe has seen several proposals for tax coordination only in the area of capital income taxation, leaving countries free to adjust their labor taxes. The expectation is that highercapital income tax revenues would cause countries to reduce their labor taxes. This paper shows that such changes...

  18. 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.

  19. Synthesis and Structural Characterization of a CHA-type AlPO4 Molecular Sieve with Penta-Coordinated Framework Aluminum Atoms.

    Science.gov (United States)

    Park, Gi Tae; Jo, Donghui; Ahn, Nak Ho; Cho, Jung; Hong, Suk Bong

    2017-07-17

    The structure-directing effects of a series of polymethylimidazolium cations with different numbers of methyl groups as organic structure-directing agents (OSDAs) in the synthesis of aluminophosphate (AlPO 4 )-based molecular sieves in both fluoride and hydroxide media are investigated. On the one hand, among the OSDAs studied here, the smallest 1,3-dimethylimidazolium and the largest 1,2,3,4,5-pentamethylimidazolium cations were found to direct the synthesis of a new variant of the triclinic chabazite (CHA)-type AlPO 4 material, designated AlPO 4 -34(t) V , and the one-dimensional small-pore silicoaluminophosphate (SAPO) molecular sieve STA-6 in hydroxide media, respectively. On the other hand, the intermediate-sized 1,2,3,4-tetramethylimidazolium cation gave SSZ-51, a two-dimensional large-pore SAPO material, in fluoride media. Synchrotron powder X-ray diffraction and Rietveld analyses reveal that as-made AlPO 4 -34(t) V contains penta-coordinated framework Al species connected by hydroxyl groups, as well as tetrahedral framework Al, which contrasts with the distortions arising from the two F - or OH - bridges between octahedral Al atoms in all already known AlPO 4 -34 materials. The presence of Al-OH-Al linkages in this triclinic AlPO 4 -34 molecular sieve has been further corroborated by thermal analysis, variable-temperature IR,27Al magic-angle spinning NMR, and dispersion-corrected density functional theory calculations.

  20. Analysis of Brown camera distortion model

    Science.gov (United States)

    Nowakowski, Artur; Skarbek, Władysław

    2013-10-01

    Contemporary image acquisition devices introduce optical distortion into image. It results in pixel displacement and therefore needs to be compensated for many computer vision applications. The distortion is usually modeled by the Brown distortion model, which parameters can be included in camera calibration task. In this paper we describe original model, its dependencies and analyze orthogonality with regard to radius for its decentering distortion component. We also report experiments with camera calibration algorithm included in OpenCV library, especially a stability of distortion parameters estimation is evaluated.

  1. 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)

  2. 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.

  3. Chlorido{4-ethyl-1-[1-(pyrazin-2-ylethylidene]thiosemicabazidato-κS}bis(triphenylphosphane-κPsilver(I

    Directory of Open Access Journals (Sweden)

    Md. Alamgir Hossain

    2013-03-01

    Full Text Available The title compound, [Ag(C9H13N5SCl(C18H15P2], crystallizes with four independent molecules in the asymmetric unit, in each of which the Ag atom is in a distorted tetrahedral coordination, defined by the chloride ligand, the S atom of the neutral ligand and two P atoms derived from the triphenyl phosphine ligands. The thiosemicarbazone acts as a monodentate ligand through its thione S atom. An intramolecular N—H...Cl hydrogen bond occurs in two of the independent molecules. In the crystal, the molecules are assembled through N—H...Cl hydrogen bonds, forming chains along [101].

  4. A one-dimensional cadmium(II complex supported by a sulfur–nitrogen mixed-donor ligand

    Directory of Open Access Journals (Sweden)

    Qian Gao

    2009-07-01

    Full Text Available In the title compound, catena-poly[cadmium(II-bis(μ-5-amino-1,3,4-thiadiazole-2-thiolato-κ2N3:S2;κ2S2:N3], [Cd(C2H2N3S22]n, the CdII ion is coordinated by two N atoms of the 1,3,4-thiadiazole rings from two ligands and two S atoms of sulfhydryl from two other ligands in a slightly distorted tetrahedral geometry. The ligands bridge CdII ions, forming one-dimensional chains along [001], which are connected by N—H...N and N—H...S hydrogen bonds into a three-dimensional network.

  5. Bis(tetraphenylphosphonium bis[N-(trifluoromethylsulfonyldithiocarbimato(2−-κ2S,S′]zincate(II

    Directory of Open Access Journals (Sweden)

    Paula S. Pinto

    2012-01-01

    Full Text Available The title salt, (C24H20P2[Zn(C2F3NO2S32], consists of a complex dianion and two tetraphenylphosphonium cations. The ZnII ion displays a distorted tetrahedral coordination environment with four S atoms from two S,S′-chelated N-(trifluoromethylsulfonyldithiocarbimate anions. In the crystal, besides the ionic interaction of the oppositely charged ions, intermolecular C—H...O interactions between cations and anions are observed. One of the cations interacts with an inversion-related equivalent by π–π stacking between phenyl rings, with a centroid–centroid distance of 3.932 (4 Å.

  6. Dichlorido{2-[(3,4-dimethylphenyliminomethyl]pyridine-κ2N,N′}copper(II

    Directory of Open Access Journals (Sweden)

    Mehdi Khalaj

    2011-11-01

    Full Text Available In the title complex, [CuCl2(C14H14N2], the CuII atom exhibits a very distorted tetrahedral coordination geometry involving two chloride ions and two N-atom donors from the Schiff base ligand. The range for the six bond angles about the Cu2+ cation is 81.49 (11–145.95 (9°. The chelate ring including the CuII atom is approximately planar, with a maximum deviation of 0.039 (4 Å for one of the C atoms; this plane forms a dihedral angle of 46.69 (9° with the CuCl2 plane.

  7. Quality Evaluation and Nonuniform Compression of Geometrically Distorted Images Using the Quadtree Distortion Map

    Directory of Open Access Journals (Sweden)

    Cristina Costa

    2004-09-01

    Full Text Available The paper presents an analysis of the effects of lossy compression algorithms applied to images affected by geometrical distortion. It will be shown that the encoding-decoding process results in a nonhomogeneous image degradation in the geometrically corrected image, due to the different amount of information associated to each pixel. A distortion measure named quadtree distortion map (QDM able to quantify this aspect is proposed. Furthermore, QDM is exploited to achieve adaptive compression of geometrically distorted pictures, in order to ensure a uniform quality on the final image. Tests are performed using JPEG and JPEG2000 coding standards in order to quantitatively and qualitatively assess the performance of the proposed method.

  8. A Raman spectroscopic study of the structural aspects of K2MgCl4 and Cs2MgCl4 as solid single crystals and molten salts

    International Nuclear Information System (INIS)

    Brooker, M.H.

    1975-01-01

    Polarized Raman spectra have been obtained for oriented single crystals of K 2 MgCl 4 and Cs 2 MgCl 4 at 77 and 298 K. The data are in excellent agreement with factor group analyses based on the space groups I 4 /mmm (D 17 4 /subh/) and Pnma (D 16 2 /subh/) for the K 2 MgCl 4 and Cs 2 MgCl 4 crystals. In K 2 MgCl 4 the magnesium is surrounded by six chloride ions in a distorted octahedral arrangement with a network structure such that neighboring octahedra share corners. In Cs 2 MgCl 4 a discrete tetrahedral MgCl 4 2- species is present. The 35 Cl-- 37 Cl isotopic splitting of the symmetric stetching mode of the tetrahedral MgCl 4 2- species has been resolved at 77 K and is similar to that observed for CCl 4 . Raman spectra for the high temperature solids and molten salts suggest that the coordination number of magnesium changes from six in solid K 2 MgCl 4 to four in the melt, whereas Cs 2 MgCl 4 melts with retention of the MgCl 4 2- tetrahedral complex. Additional evidence is presented to support previous reports that the MgCl 4 2- tetrahedral species is the principal complex ion in the melts, although a fraction of the magnesium appears to be present in a polynuclear complex, perhaps Mg 2 Cl 6 2-

  9. 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.

  10. Cognitive Distortions, Humor Styles, and Depression.

    Science.gov (United States)

    Rnic, Katerina; Dozois, David J A; Martin, Rod A

    2016-08-01

    Cognitive distortions are negative biases in thinking that are theorized to represent vulnerability factors for depression and dysphoria. Despite the emphasis placed on cognitive distortions in the context of cognitive behavioural theory and practice, a paucity of research has examined the mechanisms through which they impact depressive symptomatology. Both adaptive and maladaptive styles of humor represent coping strategies that may mediate the relation between cognitive distortions and depressive symptoms. The current study examined the correlations between the frequency and impact of cognitive distortions across both social and achievement-related contexts and types of humor. Cognitive distortions were associated with reduced use of adaptive Affiliative and Self-Enhancing humor styles and increased use of maladaptive Aggressive and Self-Defeating humor. Reduced use of Self-Enhancing humor mediated the relationship between most types of cognitive distortions and depressed mood, indicating that distorted negative thinking may interfere with an individual's ability to adopt a humorous and cheerful outlook on life (i.e., use Self-Enhancing humor) as a way of regulating emotions and coping with stress, thereby resulting in elevated depressive symptoms. Similarly, Self-Defeating humor mediated the association of the social impact of cognitive distortions with depression, such that this humor style may be used as a coping strategy for dealing with distorted thinking that ultimately backfires and results in increased dysphoria.

  11. Experimental Investigation of Inlet Distortion in a Multistage Axial Compressor

    Science.gov (United States)

    Rusu, Razvan

    The primary objective of this research is to present results and methodologies used to study total pressure inlet distortion in a multi-stage axial compressor environment. The study was performed at the Purdue 3-Stage Axial Compressor Facility (P3S) which models the final three stages of a production turbofan engine's high-pressure compressor (HPC). The goal of this study was twofold; first, to design, implement, and validate a circumferentially traversable total pressure inlet distortion generation system, and second, to demonstrate data acquisition methods to characterize the inter-stage total pressure flow fields to study the propagation and attenuation of a one-per-rev total pressure distortion. The datasets acquired for this study are intended to support the development and validation of novel computational tools and flow physics models for turbomachinery flow analysis. Total pressure inlet distortion was generated using a series of low-porosity wire gauze screens placed upstream of the compressor in the inlet duct. The screens are mounted to a rotatable duct section that can be precisely controlled. The P3S compressor features fixed instrumentation stations located at the aerodynamic interface plane (AIP) and downstream and upstream of each vane row. Furthermore, the compressor features individually indexable stator vanes which can be traverse by up to two vane passages. Using a series of coordinated distortion and vane traverses, the total pressure flow field at the AIP and subsequent inter-stage stations was characterized with a high circumferential resolution. The uniformity of the honeycomb carrier was demonstrated by characterizing the flow field at the AIP while no distortion screens where installed. Next, the distortion screen used for this study was selected following three iterations of porosity reduction. The selected screen consisted of a series of layered screens with a 100% radial extent and a 120° circumferential extent. A detailed total

  12. Distortion Control during Welding

    NARCIS (Netherlands)

    Akbari Pazooki, A.M.

    2014-01-01

    The local material expansion and contraction involved in welding result in permanent deformations or instability i.e., welding distortion. Considerable efforts have been made in controlling welding distortion prior to, during or after welding. Thermal Tensioning (TT) describes a group of in-situ

  13. The influence of head frame distortions on stereotactic localization and targeting

    Energy Technology Data Exchange (ETDEWEB)

    Treuer, H; Hunsche, S; Hoevels, M; Luyken, K; Maarouf, M; Voges, J; Sturm, V [Department of Stereotaxy and Functional Neurosurgery, University of Cologne, 50924 Cologne (Germany)

    2004-09-07

    A strong attachment of a stereotactic head frame to the patient's skull may cause distortions of the head frame. The aim of this work was to identify possible distortions of the head frame, to measure the degree of distortion occurring in clinical practice and to investigate its influence on stereotactic localization and targeting. A model to describe and quantify the distortion of the Riechert-Mundinger (RM) head frame was developed. Distortions were classified as (a) bending and (b) changes from the circular ring shape. Ring shape changes were derived from stereotactic CT scans and frame bending was determined from intraoperative stereotactic x-ray images of patients with implanted {sup 125}I-seeds acting as landmarks. From the examined patient data frame bending was determined to be 0.74 mm {+-} 0.32 mm and 1.30 mm in maximum. If a CT-localizer with a top ring is used, frame bending has no influence on stereotactic CT-localization. In stereotactic x-ray localization, frame bending leads to an overestimation of the z-coordinate by 0.37 mm {+-} 0.16 mm on average and by 0.65 mm in maximum. The accuracy of patient positioning in radiosurgery is not affected by frame bending. But in stereotactic surgery with an RM aiming bow trajectory displacements are expected. These displacements were estimated to be 0.36 mm {+-} 0.16 mm (max. 0.74 mm) at the target point and 0.65 mm {+-} 0.30 mm (max. 1.31 mm) at the entry point level. Changes from the circular ring shape are small and do not compromise the accuracy of stereotactic targeting and localization. The accuracy of CT-localization was found to be close to the resolution limit due to voxel size. Our findings for frame bending of the RM frame could be validated by statistical analysis and by comparison with an independent patient examination. The results depend on the stereotactic system and details of the localizers and instruments and also reflect our clinical practice. Therefore, a generalization is not possible

  14. Structures of Bi14WO24 and Bi14MoO24 from neutron powder diffraction data

    International Nuclear Information System (INIS)

    Ling, C.D.; Withers, R.L.; Thompson, J.G.; Schmid, S.

    1999-01-01

    The (isomorphous) structures of Bi 14 WO 24 , tetradecabismuth tungsten tetracosaoxide, and Bi 14 MoO 24 , tetradecabismuth molybdenum tetracosaoxide, have been solved and refined using neutron powder diffraction data in the space group I4/m. The metal-atom array is fully ordered in terms of composition, and in terms of atomic positions deviates only slightly from a fluorite-type δ-Bi 2 O 3 -related parent structure. Three independent O-atom sites (accounting for 70 out of 78 O atoms in the unit cell) are also very close to fluorite-type parent positions. The remaining two O-atom sites, which coordinate W, exhibit partial occupancies and displacive disorder, neither of which could be better modelled by lowering of symmetry. The W site is coordinated by four O atoms in highly distorted tetrahedral coordination, the tetrahedron necessarily being orientationally disordered on that site. Nonetheless, the structure appears to be chemically reasonable. (orig.)

  15. The molecular mechanism of Mo isotope fractionation during adsorption to birnessite

    Science.gov (United States)

    Wasylenki, L.E.; Weeks, C.L.; Bargar, J.R.; Spiro, T.G.; Hein, J.R.; Anbar, A.D.

    2011-01-01

    Fractionation of Mo isotopes during adsorption to manganese oxides is a primary control on the global ocean Mo isotope budget. Previous attempts to explain what drives the surprisingly large isotope effect ??97/95Modissolved-??97/95Moadsorbed=1.8??? have not successfully resolved the fractionation mechanism. New evidence from extended X-ray absorption fine structure analysis and density functional theory suggests that Mo forms a polymolybdate complex on the surfaces of experimental and natural samples. Mo in this polynuclear structure is in distorted octahedral coordination, while Mo remaining in solution is predominantly in tetrahedral coordination as MoO42- Our results indicate that the difference in coordination environment between dissolved Mo and adsorbed Mo is the cause of isotope fractionation. The molecular mechanism of metal isotope fractionation in this system should enable us to explain and possibly predict metal isotope effects in other systems where transition metals adsorb to mineral surfaces. ?? 2011 Elsevier Ltd.

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

    Science.gov (United States)

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

    2017-01-01

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

  17. TPC track distortions IV: post tenebras lux

    CERN Document Server

    Ammosov, V; Boyko, I; Chelkov, G; Dedovitch, D; Dydak, F; Elagin, A; Gostkin, M; Guskov, A; Koreshev, V; Krumshtein, Z; Nefedov, Y; Nikolaev, K; Wotschack, J; Zhemchugov, A

    2007-01-01

    We present a comprehensive discussion and summary of static and dynamic track distortions in the HARP TPC in terms of physical origin, mathematical modelling and correction algorithms. `Static' distortions are constant with time, while `dynamic' distortions are distortions that occur only during the 400 ms long accelerator spill. The measurement of dynamic distortions, their mathematical modelling and the correction algorithms build on our understanding of static distortions. In the course of corroborating the validity of our static distortion corrections, their reliability and precision was further improved. Dynamic TPC distortions originate dominantly from the `stalactite' effect: a column of positive-ion charge starts growing at the begin of the accelerator spill, and continues growing with nearly constant velocity out from the sense-wire plane into the active TPC volume. However, the `stalactite' effect is not able to describe the distortions that are present already at the start of the spill and which ha...

  18. Jahn-Teller distortions, cation ordering and octahedral tilting in perovskites

    International Nuclear Information System (INIS)

    Lufaso, M.W.; Woodward, P.M.

    2004-01-01

    In transition metal oxides, preferential occupation of specific d orbitals on the transition metal ion can lead to the development of a long-range ordered pattern of occupied orbitals. This phenomenon, referred to as orbital ordering, is usually observed indirectly from the cooperative Jahn-Teller distortions (CJTDs) that result as a consequence of the orbital ordering. This paper examines the interplay between orbital ordering, octahedral tilting and cation ordering in perovskites. Both ternary AMX 3 perovskites containing an active Jahn-Teller (J-T) ion on the octahedral site and quaternary A 2 MM'X 6 perovskites containing a J-T ion on one-half of the octahedral sites have been examined. In AMX 3 perovskites, the tendency is for the occupied 3d 3x 2 -r 2 and 3d 3z 2 -r 2 orbitals to order in the ac plane, as exemplified by the crystal structures of LaMnO 3 and KCuF 3 . This arrangement maintains a favorable coordination environment for the anion sites. In AMX 3 perovskites, octahedral tilting tends to enhance the magnitude of the J-T distortions. In A 2 MM'X 6 perovskites, the tendency is for the occupied 3d 3z 2 -r 2 orbitals to align parallel to the c axis. This pattern maintains a favorable coordination environment about the symmetric M'-cation site. The orbital ordering found in rock-salt ordered A 2 MM'X 6 perovskites is compatible with octahedral rotations about the c axis (Glazer tilt system a 0 a 0 c - ) but appears to be incompatible with GdFeO 3 -type octahedral tilting (tilt system - b + a - ). (orig.)

  19. Research and implementation of the algorithm for unwrapped and distortion correction basing on CORDIC for panoramic image

    Science.gov (United States)

    Zhang, Zhenhai; Li, Kejie; Wu, Xiaobing; Zhang, Shujiang

    2008-03-01

    The unwrapped and correcting algorithm based on Coordinate Rotation Digital Computer (CORDIC) and bilinear interpolation algorithm was presented in this paper, with the purpose of processing dynamic panoramic annular image. An original annular panoramic image captured by panoramic annular lens (PAL) can be unwrapped and corrected to conventional rectangular image without distortion, which is much more coincident with people's vision. The algorithm for panoramic image processing is modeled by VHDL and implemented in FPGA. The experimental results show that the proposed panoramic image algorithm for unwrapped and distortion correction has the lower computation complexity and the architecture for dynamic panoramic image processing has lower hardware cost and power consumption. And the proposed algorithm is valid.

  20. 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

  1. Frequency modulation television analysis: Distortion analysis

    Science.gov (United States)

    Hodge, W. H.; Wong, W. H.

    1973-01-01

    Computer simulation is used to calculate the time-domain waveform of standard T-pulse-and-bar test signal distorted in passing through an FM television system. The simulator includes flat or preemphasized systems and requires specification of the RF predetection filter characteristics. The predetection filters are modeled with frequency-symmetric Chebyshev (0.1-db ripple) and Butterworth filters. The computer was used to calculate distorted output signals for sixty-four different specified systems, and the output waveforms are plotted for all sixty-four. Comparison of the plotted graphs indicates that a Chebyshev predetection filter of four poles causes slightly more signal distortion than a corresponding Butterworth filter and the signal distortion increases as the number of poles increases. An increase in the peak deviation also increases signal distortion. Distortion also increases with the addition of preemphasis.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-01-01

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

  3. EPR study of the coordination sphere of Mo5+ ions in UV-irradiated silica-supported molybdenum catalysts

    International Nuclear Information System (INIS)

    Canose, B.; Gonzalez-Elipe, A.R.; Che, M.

    1991-01-01

    The determination of the number of coordination vacancies existing at transition metal cations at the surface of bulk or supported oxides is of greater interest in relation to the adsorption and catalytic properties of such systems. In the case of paramagnetic cations, the authors have developed a method consisting of the recording of their first and third derivative EPR spectra after adsorption of 13 CO, ( 13 C, I = 1/2). In this way, the 13 C superhyperfine structure which is normally observed permits the determination of the number of CO molecules bonded to the metal center. In a recent EPR work published in this journal, Seyedmonir and Howe have reported the formation of a CO adduct of the tetrahedral Mo 5+ -OH - species formed by UV-irradiation at 20 K of a MoO 3 /SiO 2 catalyst in the presence of H 2 . In that work, although the structure of such an adduct could not be derived unambiguously on the basis of the g tensor values, the coordination of the Mo 5+ ion by two CO molecules was suggested. This would be in agreement with the previous results with thermally reduced V 2 O 5 /SiO 2 and MoO 3 /SiO 2 catalysts, where the coordination of, respectively, V 4+ and Mo 5+ tetrahedral centers by two CO molecules was proven by means of the combined use of 13 CO and third derivative EPR spectra. In the present work, using this approach, they have studied the structure of these Mo 5+ ions photochemically generated on MoO 3 /SiO 2 catalysts and concluded that only one CO molecule is bonded to the paramagnetic ion

  4. Estimating Accurate Target Coordinates with Magnetic Resonance Images by Using Multiple Phase-Encoding Directions during Acquisition.

    Science.gov (United States)

    Kim, Minsoo; Jung, Na Young; Park, Chang Kyu; Chang, Won Seok; Jung, Hyun Ho; Chang, Jin Woo

    2018-06-01

    Stereotactic procedures are image guided, often using magnetic resonance (MR) images limited by image distortion, which may influence targets for stereotactic procedures. The aim of this work was to assess methods of identifying target coordinates for stereotactic procedures with MR in multiple phase-encoding directions. In 30 patients undergoing deep brain stimulation, we acquired 5 image sets: stereotactic brain computed tomography (CT), T2-weighted images (T2WI), and T1WI in both right-to-left (RL) and anterior-to-posterior (AP) phase-encoding directions. Using CT coordinates as a reference, we analyzed anterior commissure and posterior commissure coordinates to identify any distortion relating to phase-encoding direction. Compared with CT coordinates, RL-directed images had more positive x-axis values (0.51 mm in T1WI, 0.58 mm in T2WI). AP-directed images had more negative y-axis values (0.44 mm in T1WI, 0.59 mm in T2WI). We adopted 2 methods to predict CT coordinates with MR image sets: parallel translation and selective choice of axes according to phase-encoding direction. Both were equally effective at predicting CT coordinates using only MR; however, the latter may be easier to use in clinical settings. Acquiring MR in multiple phase-encoding directions and selecting axes according to the phase-encoding direction allows identification of more accurate coordinates for stereotactic procedures. © 2018 S. Karger AG, Basel.

  5. Geometric distortion of F255W for WFPC2 Cycle 12

    Science.gov (United States)

    Kozhurina-Platais, Vera

    2003-07-01

    The goal of astrometric calibration of the HST WFPC2 is to obtain a coordinate system free of distortion down to the precision level of 1 mas. That precision is necessary for future astrometric work {e.g., on proper motions} involving a combination of the archival WFPC2 and recent ACS images. So far such a calibration has only been obtained for the wide bandpass F555W filter {Anderson and King, 2003}. Recently V. Kozhurina-Platais {ISR, 2003-002} has expanded the analysis of the geometric distortion of WFPC2 as a function of wavelength for two other broadband filters, {F814W and F300W}, and has also established the plate scale and skew parameters {non-perpendicularity of X and Y axes} for these filters. This study points to the importance of astrometric calibration at wavelengths shorter than 400 nanometers. This proposal seeks observations in the FUV filter F255W of the Inner Calibration Field in the globular cluster omega Cen. It is expected that the amount of distortion in the F255W filter with respect to the F555W filter will be higher by 5% but this must be established from observations. A total of four astrometric calibrations in F255W {proposed here}, and F300W, F555, F814W {already completed} will allow us to interpolate such a calibration for any other filter from FUV to near infrared.

  6. The shallow water equations in Lagrangian coordinates

    International Nuclear Information System (INIS)

    Mead, J.L.

    2004-01-01

    Recent advances in the collection of Lagrangian data from the ocean and results about the well-posedness of the primitive equations have led to a renewed interest in solving flow equations in Lagrangian coordinates. We do not take the view that solving in Lagrangian coordinates equates to solving on a moving grid that can become twisted or distorted. Rather, the grid in Lagrangian coordinates represents the initial position of particles, and it does not change with time. We apply numerical methods traditionally used to solve differential equations in Eulerian coordinates, to solve the shallow water equations in Lagrangian coordinates. The difficulty with solving in Lagrangian coordinates is that the transformation from Eulerian coordinates results in solving a highly nonlinear partial differential equation. The non-linearity is mainly due to the Jacobian of the coordinate transformation, which is a precise record of how the particles are rotated and stretched. The inverse Jacobian must be calculated, thus Lagrangian coordinates cannot be used in instances where the Jacobian vanishes. For linear (spatial) flows we give an explicit formula for the Jacobian and describe the two situations where the Lagrangian shallow water equations cannot be used because either the Jacobian vanishes or the shallow water assumption is violated. We also prove that linear (in space) steady state solutions of the Lagrangian shallow water equations have Jacobian equal to one. In the situations where the shallow water equations can be solved in Lagrangian coordinates, accurate numerical solutions are found with finite differences, the Chebyshev pseudospectral method, and the fourth order Runge-Kutta method. The numerical results shown here emphasize the need for high order temporal approximations for long time integrations

  7. Perspective on the structure of liquid water

    International Nuclear Information System (INIS)

    Nilsson, A.; Pettersson, L.G.M.

    2011-01-01

    Graphical abstract: Liquid water can be described in a fluctuating inhomogeneous picture with two local structural motifs that are spatially separated. At ambient temperatures most molecules favor a closer packing than tetrahedral, with strongly distorted hydrogen bonds giving higher density (yellow), which allows the quantized librational modes to be excited and contribute to the entropy, but with enthalpically favored tetrahedrally bonded water patches appearing as fluctuations (blue), i.e. a competition between entropy and enthalpy. Upon cooling water the amount of molecules participating in tetrahedral structures and the size of the tetrahedral patches increase. Highlights: ► Two components maximizing either enthalpy (tetrahedral, low-density) or entropy (non-specific H-bonding, higher density). ► Interconvert discontinuously and ratio depends on temperature. ► Density fluctuations on 1 nm length scale. ► Increasing size in supercooled region. ► Connection to Widom line and 2nd critical point. - Abstract: We present a picture that combines discussions regarding the thermodynamic anomalies in ambient and supercooled water with recent interpretations of X-ray spectroscopy and scattering data of water in the ambient regime. At ambient temperatures most molecules favor a closer packing than tetrahedral, with strongly distorted hydrogen bonds, which allows the quantized librational modes to be excited and contribute to the entropy, but with enthalpically favored tetrahedrally bonded water patches appearing as fluctuations, i.e. a competition between entropy and enthalpy. Upon cooling water the amount of molecules participating in tetrahedral structures and the size of the tetrahedral patches increase. The two local structures are connected to the liquid–liquid critical point hypothesis in supercooled water corresponding to high density liquid and low density liquid. We will discuss the interpretation of X-ray absorption spectroscopy, X-ray emission

  8. 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.

  9. Guessing and compression subject to distortion

    OpenAIRE

    Hanawal, Manjesh Kumar; Sundaresan, Rajesh

    2010-01-01

    The problem of guessing a random string is revisited. The relation-ship between guessing without distortion and compression is extended to the case when source alphabet size is countably in¯nite. Further, similar relationship is established for the case when distortion allowed by establishing a tight relationship between rate distortion codes and guessing strategies.

  10. An Improved Distortion Operator for Insurance Risks

    Institute of Scientific and Technical Information of China (English)

    GAO Jian-wei; QIU Wan-hua

    2002-01-01

    This paper reviews the distortion function approach developed in the actuarial literature for insurance risks. The main aim of this paper is to derive an extensive distortion operator, and to propose a new premium principle based on this extensive distortion operator. Furthermore, the non-robustness of general distortion operator is also discussed. Examples are provided using Bernoulli, Pareto, Lognormal and Gamma distribution assumptions.

  11. Single walled carbon nanotube network—Tetrahedral amorphous carbon composite film

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-06-14

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

  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. Volterra Series Based Distortion Effect

    DEFF Research Database (Denmark)

    Agerkvist, Finn T.

    2010-01-01

    A large part of the characteristic sound of the electric guitar comes from nonlinearities in the signal path. Such nonlinearities may come from the input- or output-stage of the amplier, which is often equipped with vacuum tubes or a dedicated distortion pedal. In this paper the Volterra series...... expansion for non linear systems is investigated with respect to generating good distortion. The Volterra series allows for unlimited adjustment of the level and frequency dependency of each distortion component. Subjectively relevant ways of linking the dierent orders are discussed....

  14. (2-Methyl-4-oxo-4H-pyran-3-olato-κ2O3,O4bis(triphenylphosphane-κPcopper(I–triphenylphosphane–methanol (1/1/1

    Directory of Open Access Journals (Sweden)

    Fabian M. A. Muller

    2011-05-01

    Full Text Available In the title compound, [Cu(C6H5O3(C18H15P2]·C18H15P·CH3OH, the pyran-4-one ring is appromimately planar (r.m.s deviation = 0.0138 Å, with the CuI atom 0.451 (5 Å out of the plane. The CuI atom has a distorted tetrahedral coordination. The O—Cu—O angle is 80.07 (8° and the P—Cu—P angle is 123.49 (3°. The crystal packing is stablized by intramolecular C—H...O interactions and intermolecular C—H...O and O—H...O interactions.

  15. Bis(1-benzyl-1H-benzimidazole-κN3dichloridozinc

    Directory of Open Access Journals (Sweden)

    Rachid Bouhfid

    2014-03-01

    Full Text Available In the title compound, [ZnCl2(C14H12N22], the ZnII atom exhibits a distorted tetrahedral coordination geometry involving two chloride anions and two N-atom donors from 1-benzyl-1H-benzimidazole ligands. In both ligands, the benzyl and benzimidazole rings are nearly perpendicular [dihedral angles = 81.7 (2 and 81.5 (2°]. The two benzimidazole systems are essentially planar [maximum deviations = 0.015 (3 and 0.020 (2 Å] and form a dihedral angle of 78.09 (8°. In the crystal, centrosymmetrically related molecules are linked by pairs of C—H...Cl hydrogen bonds into chains parallel to the a axis.

  16. LiHo(PO34

    Directory of Open Access Journals (Sweden)

    Mokhtar Férid

    2009-02-01

    Full Text Available Lithium holmium(III polyphosphate(V, LiHo(PO34, belongs to the type I of polyphosphates with general formula ALn(PO34, where A is a monovalent cation and Ln is a trivalent rare earth cation. In the crystal structure, the polyphosphate chains spread along the b-axis direction, with a repeat period of four tetrahedra and 21 internal symmetry. The Li and Ho atoms are both located on twofold rotation axes and are surrounded by four and eight O atoms, leading to a distorted tetrahedral and dodecahedral coordination, respectively. The HoO8 polyhedra are isolated from each other, the closest Ho...Ho distance being 5.570 (1 Å.

  17. catena-Poly[2-methylpyridinium [tungstate-di-μ-selenido-silver-di-μ-selenido] 2-methylpyridine monosolvate

    Directory of Open Access Journals (Sweden)

    Lu-Jun Zhou

    2013-11-01

    Full Text Available The title compound, {(C6H8N[AgWSe4]·C6H7N}n, consists of anionic [WAgSe4]n chains, 2-methylpyridinium cations and neutral 2-methylpyridine molecules. The Se atoms bridge the Ag and W atoms, forming a polymeric chain extending along the b-axis direction. Both the Ag and W atoms are located on a twofold rotation axis and each metal atom is coordinated by four Se atoms in distorted tetrahedral geometry. In the crystal, the 2-methylpyridinium cation and 2-methylpyridine molecule are linked via N—H...N hydrogen bonding. Weak C—H...Se interactions link the organic components and polymeric anions into a three-dimensional architecture.

  18. Coordination of hand shape.

    Science.gov (United States)

    Pesyna, Colin; Pundi, Krishna; Flanders, Martha

    2011-03-09

    The neural control of hand movement involves coordination of the sensory, motor, and memory systems. Recent studies have documented the motor coordinates for hand shape, but less is known about the corresponding patterns of somatosensory activity. To initiate this line of investigation, the present study characterized the sense of hand shape by evaluating the influence of differences in the amount of grasping or twisting force, and differences in forearm orientation. Human subjects were asked to use the left hand to report the perceived shape of the right hand. In the first experiment, six commonly grasped items were arranged on the table in front of the subject: bottle, doorknob, egg, notebook, carton, and pan. With eyes closed, subjects used the right hand to lightly touch, forcefully support, or imagine holding each object, while 15 joint angles were measured in each hand with a pair of wired gloves. The forces introduced by supporting or twisting did not influence the perceptual report of hand shape, but for most objects, the report was distorted in a consistent manner by differences in forearm orientation. Subjects appeared to adjust the intrinsic joint angles of the left hand, as well as the left wrist posture, so as to maintain the imagined object in its proper spatial orientation. In a second experiment, this result was largely replicated with unfamiliar objects. Thus, somatosensory and motor information appear to be coordinated in an object-based, spatial-coordinate system, sensitive to orientation relative to gravitational forces, but invariant to grasp forcefulness.

  19. Spectral Distortion in Lossy Compression of Hyperspectral Data

    Directory of Open Access Journals (Sweden)

    Bruno Aiazzi

    2012-01-01

    Full Text Available Distortion allocation varying with wavelength in lossy compression of hyperspectral imagery is investigated, with the aim of minimizing the spectral distortion between original and decompressed data. The absolute angular error, or spectral angle mapper (SAM, is used to quantify spectral distortion, while radiometric distortions are measured by maximum absolute deviation (MAD for near-lossless methods, for example, differential pulse code modulation (DPCM, or mean-squared error (MSE for lossy methods, for example, spectral decorrelation followed by JPEG 2000. Two strategies of interband distortion allocation are compared: given a target average bit rate, distortion may be set to be constant with wavelength. Otherwise, it may be allocated proportionally to the noise level of each band, according to the virtually lossless protocol. Comparisons with the uncompressed originals show that the average SAM of radiance spectra is minimized by constant distortion allocation to radiance data. However, variable distortion allocation according to the virtually lossless protocol yields significantly lower SAM in case of reflectance spectra obtained from compressed radiance data, if compared with the constant distortion allocation at the same compression ratio.

  20. Grids in topographic maps reduce distortions in the recall of learned object locations.

    Science.gov (United States)

    Edler, Dennis; Bestgen, Anne-Kathrin; Kuchinke, Lars; Dickmann, Frank

    2014-01-01

    To date, it has been shown that cognitive map representations based on cartographic visualisations are systematically distorted. The grid is a traditional element of map graphics that has rarely been considered in research on perception-based spatial distortions. Grids do not only support the map reader in finding coordinates or locations of objects, they also provide a systematic structure for clustering visual map information ("spatial chunks"). The aim of this study was to examine whether different cartographic kinds of grids reduce spatial distortions and improve recall memory for object locations. Recall performance was measured as both the percentage of correctly recalled objects (hit rate) and the mean distance errors of correctly recalled objects (spatial accuracy). Different kinds of grids (continuous lines, dashed lines, crosses) were applied to topographic maps. These maps were also varied in their type of characteristic areas (LANDSCAPE) and different information layer compositions (DENSITY) to examine the effects of map complexity. The study involving 144 participants shows that all experimental cartographic factors (GRID, LANDSCAPE, DENSITY) improve recall performance and spatial accuracy of learned object locations. Overlaying a topographic map with a grid significantly reduces the mean distance errors of correctly recalled map objects. The paper includes a discussion of a square grid's usefulness concerning object location memory, independent of whether the grid is clearly visible (continuous or dashed lines) or only indicated by crosses.

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

    Science.gov (United States)

    Luo, Danmei; Rong, Qiguo; Chen, Quan

    2017-09-01

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

  2. Magnetic Grüneisen parameter and magnetocaloric properties of a coupled spin–electron double-tetrahedral chain

    International Nuclear Information System (INIS)

    Gálisová, Lucia; Strečka, Jozef

    2015-01-01

    Magnetocaloric effect in a double-tetrahedral chain, in which nodal lattice sites occupied by the localized Ising spins regularly alternate with three equivalent lattice sites available for mobile electrons, is exactly investigated by considering the one-third electron filling and the ferromagnetic Ising exchange interaction between the mobile electrons and their nearest Ising neighbours. The entropy and the magnetic Grüneisen parameter, which closely relate to the magnetocaloric effect, are exactly calculated in order to investigate the relation between the ground-state degeneracy and the cooling efficiency of the hybrid spin–electron system during the adiabatic demagnetization. - Highlights: • A double-tetrahedral chain of mobile electrons and localized Ising spins is studied. • Magnetic Grüneisen parameter for the system is exactly derived. • Macroscopically degenerate phases FRU and FM constitute the ground state. • MCE is three times higher nearby FRU–FM transition than in FRU phase at small fields

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-05-01

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

  4. Water’s dual nature and its continuously changing hydrogen bonds

    International Nuclear Information System (INIS)

    Henchman, Richard H

    2016-01-01

    A model is proposed for liquid water that is a continuum between the ordered state with predominantly tetrahedral coordination, linear hydrogen bonds and activated dynamics and a disordered state with a continuous distribution of multiple coordinations, multiple types of hydrogen bond, and diffusive dynamics, similar to that of normal liquids. Central to water’s heterogeneous structure is the ability of hydrogen to donate to either one acceptor in a conventional linear hydrogen bond or to multiple acceptors as a furcated hydrogen. Linear hydrogen bonds are marked by slow, activated kinetics for hydrogen-bond switching to more crowded acceptors and sharp first peaks in the hydrogen-oxygen radial distribution function. Furcated hydrogens, equivalent to free, broken, dangling or distorted hydrogens, have barrierless, rapid kinetics and poorly defined first peaks in their hydrogen-oxygen radial distribution function. They involve the weakest donor in a local excess of donors, such that barrierless whole-molecule vibration rapidly swaps them between the linear and furcated forms. Despite the low number of furcated hydrogens and their transient existence, they are readily created in a single hydrogen-bond switch and free up the dynamics of numerous surrounding molecules, bringing about the disordered state. Hydrogens in the ordered state switch with activated dynamics to make the non-tetrahedral coordinations of the disordered state, which can also combine to make the ordered state. Consequently, the ordered and disordered states are both connected by diffusive dynamics and differentiated by activated dynamics, bringing about water’s continuous heterogeneity. (paper)

  5. Distortions in Judged Spatial Relations.

    Science.gov (United States)

    Stevens, Albert

    1978-01-01

    Distortions in judgments of relative geographical relations were observed, particularly when the locations were in different geographical or political units. Subjects distorted the judged relation to conform with the relation of the superordinate political unit. A model for the hierachical storage of spatial information is presented. (Author/RD)

  6. 3He/4He production ratios by tetrahedral symmetric condensation

    International Nuclear Information System (INIS)

    Takahashi, Akito

    2006-01-01

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

  7. Hydrothermal synthesis and characterization of a binuclear complex and a coordination

    Directory of Open Access Journals (Sweden)

    Reza Mohamadinasab

    2010-06-01

    Full Text Available Two new copper complexes [(bipy(pydcCu(μ-OCO-pydcCu(bipy(H2O].3.5H¬2O (1 and {[(μ2-C2O4(2,2'-bipyCu].2H2O}n (2 (pydcH2 = pyridine-2,6-dicarboxylilic acid, bipy = 2,2'-bipyridine have been hydrothermally synthesized. Both complexes were characterized by IR spectroscopy, elemental analysis and single crystal X-ray diffraction studies. Complex 1 consists of two independent neutral molecules. In every moiety, metal ion center is in a distorted octahedral geometry. Coordination polymer (2 has been prepared from the reaction of bis-(cyclohexanone-oxal-dihydrazone,2,2'-bipyridine and Cu(NO32 in basic solution and under hydrothermal condition. The results showed that the bis-(cyclohexanone-oxal-dihydrazone was converted to oxalate ion under heating and basic pH. Each metal ion center in 2 is in a distorted octahedral geometry and is coordinated by four oxygen atoms of two bridged oxalate ions and two nitrogen atoms of 2,2'-bipyridine molecules. In the crystal structure of 2, some H-bonds and π-π interaction cause formation of a 3D network.

  8. Cd(II) and Zn(II) thiocyanate coordination compounds with 3-ethylpyridine. Synthesis, crystal structures and properties

    Energy Technology Data Exchange (ETDEWEB)

    Neumann, Tristan; Jess, Inke; Dos Santos Cunha, Cesar; Terraschke, Huayna; Naether, Christian [Kiel Univ. (Germany). Inst. fuer Anorganische Chemie

    2018-04-01

    Reaction of Cd(NCS){sub 2} and Zn(NCS){sub 2} with 3-ethylpyridine leads to the formation of compounds of compositions M(NCS){sub 2}(3-ethylpyridine){sub 4} (M=Cd, 1-Cd; Zn, 1-Zn) and M(NCS){sub 2}(3-ethylpyridine){sub 2} (M=Cd, 2-Cd; Zn, 2-Zn). 1-Cd and 1-Zn are isotypic and form discrete complexes in which the metal cations are octahedrally coordinated by two trans-coordinating N-bonded thiocyanate anions and four 3-ethylpyridine co-ligands. In 2-Cd the cations are also octahedrally coordinated but linked into chains by pairs of μ-1,3-bridging anionic ligands. 2-Zn is built up of discrete complexes, in which the Zn cation is tetrahedrally coordinated by two N-bonded thiocyanate anions and two 3-ethylpyridine co-ligands. Compounds 1-Cd, 2-Cd and 2-Zn can be prepared in a pure state, whereas 1-Zn is unstable and transforms on storage into 2-Zn. If 1-Cd and 1-Zn are heated, a transformation into 2-Cd, respectively 2-Zn is observed. Luminescence measurements reveal that 1-Cd, 2-Cd and 2-Zn emit light in the blue spectral range with maxima at, respectively, 21724, 21654 and 22055 cm{sup -1}, assigned to ligand-based luminescence.

  9. Triangles and squares for a unique molecular crystal structure. Unsupported two-coordinate lithium cations and CC agostic interactions in cyclopropyllithium derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Dufrois, Quentin; Daran, Jean-Claude; Vendier, Laure; Dinoi, Chiara; Etienne, Michel [Laboratoire de Chimie de Coordination du CNRS (LCC), Toulouse (France); Universite de Toulouse, UPS, INPT, LCC, Toulouse (France)

    2018-02-12

    Understanding and controlling the aggregation state is germane to alkyllithium chemistry. Lewis base-free alkyllithium compounds normally form tetrahedral tetramers or octahedral hexamers in the solid state with the lithium cations being three-coordinate. We report that the unsupported cyclopropyl derivative 1-(trimethylsilyl)cyclopropyllithium [{μ-c-C(SiMe_3)C_2H_4}Li]{sub 4} (1), synthesized by the reduction of 1-(phenylthio)-1-(trimethylsilyl)cyclopropane, crystallizes as a tetramer in the space group I-4 with the two-coordinate lithium atoms forming a square. CC agostic interactions complete the coordination sphere around each lithium. The aggregate is preserved in hydrocarbon solution. Furthermore, CC agostic interactions compete intra- and intermolecularly with Lewis base donation as in the unsaturated dimer of 1-(phenylthio)cyclopropyllithium [Li(thf){sub 2}{μ-c-C(SPh)C_2H_4}{sub 2}Li (thf)] (3) which is also fully characterized. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

    Directory of Open Access Journals (Sweden)

    QIN Yang

    2014-04-01

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

  11. Tetrahedral ↔ octahedral network structure transition in simulated vitreous SiO2

    International Nuclear Information System (INIS)

    Vo Van Hoang; Nguyen Trung Hai; Hoang Zung

    2006-01-01

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

  12. JET ENGINE INLET DISTORTION SCREEN AND DESCRIPTOR EVALUATION

    Directory of Open Access Journals (Sweden)

    Jiří Pečinka

    2017-02-01

    Full Text Available Total pressure distortion is one of the three basic flow distortions (total pressure, total temperature and swirl distortion that might appear at the inlet of a gas turbine engine (GTE during operation. Different numerical parameters are used for assessing the total pressure distortion intensity and extent. These summary descriptors are based on the distribution of total pressure in the aerodynamic interface plane. There are two descriptors largely spread around the world, however, three or four others are still in use and can be found in current references. The staff at the University of Defence decided to compare the most common descriptors using basic flow distortion patterns in order to select the most appropriate descriptor for future department research. The most common descriptors were identified based on their prevalence in widely accessible publications. The construction and use of these descriptors are reviewed in the paper. Subsequently, they are applied to radial, angular, and combined distortion patterns of different intensities and with varied mass flow rates. The tests were performed on a specially designed test bench using an electrically driven standalone industrial centrifugal compressor, sucking air through the inlet of a TJ100 small turbojet engine. Distortion screens were placed into the inlet channel to create the desired total pressure distortions. Of the three basic distortions, only the total pressure distortion descriptors were evaluated. However, both total and static pressures were collected using a multi probe rotational measurement system.

  13. Structural, theoretical and corrosion inhibition studies on some transition metal complexes derived from heterocyclic system

    Science.gov (United States)

    Gupta, Shraddha Rani; Mourya, Punita; Singh, M. M.; Singh, Vinod P.

    2017-06-01

    A Schiff base, (E)-N‧-((1H-indol-3-yl)methylene)-2-aminobenzohydrazide (Iabh) and its Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes have been synthesized. These compounds have been characterized by different physico-chemical and spectroscopic tools (UV-Vis, IR, NMR and ESI-Mass). The molecular structure of Iabh is determined by single crystal X-ray diffraction technique. The ligand Iabh displays E-configuration about the >Cdbnd N- bond. The structure of ligand is stabilized by intra-molecular H-bonding. In all the metal complexes the ligand coordinates through azomethine-N and carbonyl-O resulting a distorted octahedral geometry for Mn(II), Co(II) and Cu(II) complexes in which chloride ions occupy axial positions. Ni(II) and Zn(II) complexes, however, form 4-coordinate distorted square planer and tetrahedral geometry around metal ion, respectively. The structures of the complexes have been satisfactorily modeled by calculations based on density functional theory (DFT) and time dependent-DFT (TD-DFT). The corrosion inhibition study of the compounds have been performed against mild steel in 0.5 M H2SO4 solution at 298 K by using weight loss, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). They show appreciable corrosion inhibition property.

  14. 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

  15. Evaluation of a 3D point cloud tetrahedral tomographic reconstruction method

    Science.gov (United States)

    Pereira, N. F.; Sitek, A.

    2010-09-01

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

  16. 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.

  17. Evaluation of a 3D point cloud tetrahedral tomographic reconstruction method

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-09-21

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

  18. Distortional Modes of Thin-Walled Beams

    DEFF Research Database (Denmark)

    Jönsson, Jeppe; Andreassen, Michael Joachim

    2009-01-01

    The classic thin-walled beam theory for open and closed cross-sections can be generalized by including distortional displacement modes. The introduction of additional displacement modes leads to coupled differential equations, which seems to have prohibited the use of exact shape functions...... in the modelling of coupled torsion and distortion. However, if the distortional displacement modes are chosen as those which decouple the differential equations as in non proportionally damped modal dynamic analysis then it may be possible to use exact shape functions and perform analysis on a reduced problem....... In the recently developed generalized beam theory (GBT) the natural distortional displacement modes are determined on the basis of a quadratic eigenvalue problem. However, as in linear modal dynamic analysis of proportionally damped structures this problem has been solved approximately using linear eigenvalue...

  19. Detection of chromatic and luminance distortions in natural scenes.

    Science.gov (United States)

    Jennings, Ben J; Wang, Karen; Menzies, Samantha; Kingdom, Frederick A A

    2015-09-01

    A number of studies have measured visual thresholds for detecting spatial distortions applied to images of natural scenes. In one study, Bex [J. Vis.10(2), 1 (2010)10.1167/10.2.231534-7362] measured sensitivity to sinusoidal spatial modulations of image scale. Here, we measure sensitivity to sinusoidal scale distortions applied to the chromatic, luminance, or both layers of natural scene images. We first established that sensitivity does not depend on whether the undistorted comparison image was of the same or of a different scene. Next, we found that, when the luminance but not chromatic layer was distorted, performance was the same regardless of whether the chromatic layer was present, absent, or phase-scrambled; in other words, the chromatic layer, in whatever form, did not affect sensitivity to the luminance layer distortion. However, when the chromatic layer was distorted, sensitivity was higher when the luminance layer was intact compared to when absent or phase-scrambled. These detection threshold results complement the appearance of periodic distortions of the image scale: when the luminance layer is distorted visibly, the scene appears distorted, but when the chromatic layer is distorted visibly, there is little apparent scene distortion. We conclude that (a) observers have a built-in sense of how a normal image of a natural scene should appear, and (b) the detection of distortion in, as well as the apparent distortion of, natural scene images is mediated predominantly by the luminance layer and not chromatic layer.

  20. Prediction of transmission distortion for wireless video communication: analysis.

    Science.gov (United States)

    Chen, Zhifeng; Wu, Dapeng

    2012-03-01

    Transmitting video over wireless is a challenging problem since video may be seriously distorted due to packet errors caused by wireless channels. The capability of predicting transmission distortion (i.e., video distortion caused by packet errors) can assist in designing video encoding and transmission schemes that achieve maximum video quality or minimum end-to-end video distortion. This paper is aimed at deriving formulas for predicting transmission distortion. The contribution of this paper is twofold. First, we identify the governing law that describes how the transmission distortion process evolves over time and analytically derive the transmission distortion formula as a closed-form function of video frame statistics, channel error statistics, and system parameters. Second, we identify, for the first time, two important properties of transmission distortion. The first property is that the clipping noise, which is produced by nonlinear clipping, causes decay of propagated error. The second property is that the correlation between motion-vector concealment error and propagated error is negative and has dominant impact on transmission distortion, compared with other correlations. Due to these two properties and elegant error/distortion decomposition, our formula provides not only more accurate prediction but also lower complexity than the existing methods.

  1. Ultrasonographic Findings of Mammographic Architectural Distortion

    International Nuclear Information System (INIS)

    Ma, Jeong Hyun; Kang, Bong Joo; Cha, Eun Suk; Hwangbo, Seol; Kim, Hyeon Sook; Park, Chang Suk; Kim, Sung Hun; Choi, Jae Jeong; Chung, Yong An

    2008-01-01

    To review the sonographic findings of various diseases showing architectural distortion depicted under mammography. We collected and reviewed architectural distortions observed under mammography at our health institution between 1 March 2004, and 28 February 2007. We collected 23 cases of sonographically-detected mammographic architectural distortions that confirmed lesions after surgical resection. The sonographic findings of mammographic architectural distortion were analyzed by use of the BI-RADS lexicon for shape, margin, lesion boundary, echo pattern, posterior acoustic feature and orientation. There were variable diseases that showed architectural distortion depicted under mammography. Fibrocystic disease was the most common presentation (n = 6), followed by adenosis (n = 2), stromal fibrosis (n = 2), radial scar (n = 3), usual ductal hyperplasia (n = 1), atypical ductal hyperplasia (n = 1) and mild fibrosis with microcalcification (n = 1). Malignant lesions such as ductal carcinoma in situ (DCIS) (n = 2), lobular carcinoma in situ (LCIS) (n = 2), invasive ductal carcinoma (n = 2) and invasive lobular carcinoma (n = 1) were observed. As observed by sonography, shape was divided as irregular (n = 22) and round (n = 1). Margin was divided as circumscribed (n = 1), indistinct (n = 7), angular (n = 1), microlobulated (n = 1) and sipculated (n = 13). Lesion boundary was divided as abrupt interface (n = 11) and echogenic halo (n = 12). Echo pattern was divided as hypoechoic (n = 20), anechoic (n = 1), hyperechoic (n = 1) and isoechoic (n = 1). Posterior acoustic feature was divided as posterior acoustic feature (n = 7), posterior acoustic shadow (n = 15) and complex posterior acoustic feature (n = 1). Orientation was divided as parallel (n = 12) and not parallel (n = 11). There were no differential sonographic findings between benign and malignant lesions. This study presented various sonographic findings of mammographic architectural distortion and that it is

  2. Crystal structure of [bis(2,6-diisopropylphenyl phosphato-κO]tris(methanol-κOlithium methanol monosolvate

    Directory of Open Access Journals (Sweden)

    Mikhail E. Minyaev

    2015-05-01

    Full Text Available Crystals of the title compound, [Li{OOP(O-2,6-iPr2C6H32}(CH3OH3]·CH3OH or [Li(C24H34O4P(CH3OH3]·CH3OH, have been formed in the reaction between HOOP(O-2,6-iPr2C6H32 and LiOH in methanol. The title compound is of interest as it represents the first reported crystal structure of the family of lithium phosphate diesters. The {Li(CH3OH3[O2P(O-iPr2C6H32]} unit displays the Li atom in a slightly distorted tetrahedral coordination environment and exhibits one intramolecular O—H...O hydrogen bond between a coordinating methanol molecule and the terminal non-coordinating O atom of the phosphate group. The unit is connected with two non-coordinating methanol molecules through two intermolecular O—H...O hydrogen bonds, and with a neighbouring unit through two other O—H...O interactions. These intermolecular hydrogen bonds lead to the formation of infinite chains along [100]. There are no significant interactions between the chains.

  3. Components of segregation distortion in Drosophila melanogaster

    International Nuclear Information System (INIS)

    Ganetzky, B.

    1977-01-01

    The segregation distorter (SD) complex is a naturally occurring meiotic drive system with the property that males heterozygous for an SD-bearing chromosome 2 and an SD+-bearing homolog transmit the SD-bearing chromosome almost exclusively. This distorted segregation is the consequence of an induced dysfunction of those sperm that receive the SD+ homolog. From previous studies, two loci have been implicated in this phenomenon: the Sd locus which is required to produce distortion, and the Responder (Rsp) locus that is the site at which Sd acts. There are two allelic alternatives of Rsp-sensitive (Rsp/sup sens/) and insensitive (Rsp/sup ins/); a chromosome carrying Rsp/sup ins/ is not distorted by SD. In the present study, the function and location of each of these elements was examined by a genetic and cytological characterization of x-ray-induced mutations at each locus. The results indicate the following: the Rsp locus is located in the proximal heterochromatin of 2R; a deletion for the Rsp locus renders a chromosome insensitive to distortion; the Sd locus is located to the left of pr (2-54.5), in the region from 37D2-D7 to 38A6-B2 of the salivary chromosome map; an SD chromosome deleted for Sd loses its ability to distort; there is another important component of the SD system, E(SD), in or near the proximal heterochromatin of 2L, that behaves as a strong enhancer of distortion. The results of these studies allow a reinterpretation of results from earlier analyses of the SD system and serve to limit the possible mechanisms to account for segregation distortion

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-07-01

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

  5. (Benzoato-κOchlorido[(–-sparteine-κ2N,N′]zinc(II

    Directory of Open Access Journals (Sweden)

    José Luis Alcántara-Flores

    2009-09-01

    Full Text Available The title complex, [Zn(C7H5O2Cl(C15H26N2], used for the magnetic dilution of the analogous CuII complex, was synthesized through a direct synthesis route. The coordination geometry around ZnII is best described as distorted tetrahedral, the largest deviation arising from the (–-sparteine ligand, as is invariably found in complexes containing this rather rigid molecule. The benzoate anion behaves as a monodentate ligand, with a non-coordinating Zn...O separation of 2.969 (5 Å. Molecules are packed in the crystal without significant intermolecular interactions. The shortest Zn...Zn separation [6.8186 (7 Å] is observed between molecules related through the 21 screw axis. This is an important feature for the magnetic behaviour of the CuII analogue, which is intended for modeling isolated metal centers in the active site of type 1 blue copper proteins.

  6. (tert-Butylimidobis(η5-cyclopentadienylpyridinezirconium(IV

    Directory of Open Access Journals (Sweden)

    Katharina Kaleta

    2010-09-01

    Full Text Available The title compound, [Zr(C5H52(C4H9N(C5H5N], was obtained from the reaction of (C5H52Zr(py(η2-Me3SiC2SiMe3 (py is pyridine and tBuN=C=NtBu alongside the formation of (C5H52Zr(CNtBu(η2-Me3SiC2SiMe3. The zirconium atom is coordinated in a distorted tetrahedral geometry by two cyclopentadienyl ligands, a pyridine ligand, and a tert-butylimido ligand via a Zr=N double bond. The tert-butyl group is disordered over two positions in a 0.634 (5:0.366 (5 ratio.

  7. Bis(4-aminobenzenesulfonamide-κN4dichloridozinc

    Directory of Open Access Journals (Sweden)

    Sabrina Benmebarek

    2014-01-01

    Full Text Available In the title compound, [ZnCl2(C6H8N2O2S2], the ZnII ion lies on a twofold rotation axis and has a slightly distorted tetrahedral coordination geometry, involving two Cl atoms and two N atoms from the amino groups attached directly to the benzene rings [Zn—Cl = 2.2288 (16 Å and Zn—N = 2.060 (5 Å]. The dihedral angle between the benzene rings is 67.1 (3°. The crystal packing can be describe as layers in a zigzag arrangement parallel to (001. The amine H atoms act as donor atoms and participate in intermolecular N—H...O and N—H...Cl hydrogen bonds, forming a three-dimensional network.

  8. Synthesis and crystal structure of bis(1-{[(quinolin-8-ylimino]methyl}pyrene-κ2N,N′silver(I trifluoromethanesulfonate

    Directory of Open Access Journals (Sweden)

    Miguel Pinto

    2016-10-01

    Full Text Available The title compound, [Ag(qPyr2]CF3SO3 where qPyr = 1-(quinoline-2-ylmethyleneaminopyrene, C26H16N2, was synthesized from a reaction of silver trifluoromethanesulfonate and qPyr in dichloromethane–methanol mixed media. In this design, the qPyr ligand was chosen for its characteristic excitation and emission profiles, which could enable the tracking of the silver complex within biological targets. The AgI atom resides in a distorted tetrahedral N4 coordination sphere. Analysis of the packing pattern revealed significant intra- and intermolecular π–π stacking interactions between the [Ag(qPyr2]+ cations. In addition, a weak C—H...O hydrogen bond consolidates the packing between cations and anions.

  9. Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions.

    Science.gov (United States)

    Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying

    2018-01-28

    By synergistic combination of multicomponent self-assembly and template-directed approaches, triply interlocked metal organic catenanes that consist of two isolated chirally identical tetrahedrons were constructed and stabilized as thermodynamic minima. In the presence of suitable template anions, the structural conversion from the isolated tetrahedral conformers into locked catenanes occurred via the cleavage of an intrinsically reversible coordination bond in each of the tetrahedrons, followed by the reengineering and interlocking of two fragments with the regeneration of the broken coordination bonds. The presence of several kinds of individual pocket that were attributed to the triply interlocked patterns enabled the possibility of encapsulating different anions, allowing the dynamic allostery between the unlocked/locked conformers to promote the dehalogenation reaction of 3-bromo-cyclohexene efficiently, as with the use of dehalogenase enzymes. The interlocked structures could be unlocked into two individual tetrahedrons through removal of the well-matched anion templates. The stability and reversibility of the locked/unlocked structures were further confirmed by the catching/releasing process that accompanied emission switching, providing opportunities for the system to be a dynamic molecular logic system.

  10. Computerized mappings of the cerebral cortex: a multiresolution flattening method and a surface-based coordinate system

    Science.gov (United States)

    Drury, H. A.; Van Essen, D. C.; Anderson, C. H.; Lee, C. W.; Coogan, T. A.; Lewis, J. W.

    1996-01-01

    We present a new method for generating two-dimensional maps of the cerebral cortex. Our computerized, two-stage flattening method takes as its input any well-defined representation of a surface within the three-dimensional cortex. The first stage rapidly converts this surface to a topologically correct two-dimensional map, without regard for the amount of distortion introduced. The second stage reduces distortions using a multiresolution strategy that makes gross shape changes on a coarsely sampled map and further shape refinements on progressively finer resolution maps. We demonstrate the utility of this approach by creating flat maps of the entire cerebral cortex in the macaque monkey and by displaying various types of experimental data on such maps. We also introduce a surface-based coordinate system that has advantages over conventional stereotaxic coordinates and is relevant to studies of cortical organization in humans as well as non-human primates. Together, these methods provide an improved basis for quantitative studies of individual variability in cortical organization.

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

    KAUST Repository

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

    2013-01-01

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

  12. 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.

  13. Design, construction and setting of a parallel plate avalanche detector with coordinate read-out

    International Nuclear Information System (INIS)

    Guillermet, C.

    1980-01-01

    This detector planned for heavy ion experiments has the following dimensions: 150x210 mm 2 . Each coordinate of the trajectory is obtained from a plane of read-out wires located half-way between the two electrodes of each gap. Position read-out is made by the delay line method. Interpolating properties cancel out the effects of quantization due to the wires. Two gaps sharing a common electrode, with their wire-planes at 90 0 , furnish the two coordinates. The common electrode (Anode) delivers a fast signal on each ion crossing. Formation of signals on the anode with their distortion by the associated circuit was calculated. Formation of signals on the wires and their distortion into the delay lines was also determined. This allowed to evaluate the influence of the various parameters leading to an optimum time and space resolution. With 252 Cf fission products, 500 ps and 0.6 mm were so obtained. Differential linearity is better than 75 μm. Pulse height analysis of the anode signals makes discrimination between lightly and heavily ionizing ions possible [fr

  14. Sonographic ally Detected Architectural Distortion: Clinical Significance

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Shin Kee; Seo, Bo Kyoung; Yi, Ann; Cha, Sang Hoon; Kim, Baek Hyun; Cho, Kyu Ran; Kim, Young Sik; Son, Gil Soo; Kim, Young Soo; Kim, Hee Young [Korea University Ansan Hospital, Ansan (Korea, Republic of)

    2008-12-15

    Architectural distortion is a suspicious abnormality for the diagnosis of breast cancer. The aim of this study was to investigate the clinical significance of sonographic ally detected architectural distortion. From January 2006 to June 2008, 20 patients were identified who had sonographic ally detected architectural distortions without a history of trauma or surgery and abnormal mammographic findings related to an architectural distortion. All of the lesions were pathologically verified. We evaluated the clinical and pathological findings and then assessed the clinical significance of the sonographic ally detected architectural distortions. Based on the clinical findings, one (5%) of the 20 patients had a palpable lump and the remaining 19 patients had no symptoms. No patient had a family history of breast cancer. Based on the pathological findings, three (15%) patients had malignancies. The malignant lesions included invasive ductal carcinomas (n = 2) and ductal carcinoma in situ (n = 1). Four (20%) patients had high-risk lesions: atypical ductal hyperplasia (n = 3) and lobular carcinoma in situ (n = 1). The remaining 13 (65%) patients had benign lesions, however, seven (35%) out of 13 patients had mild-risk lesions (three intraductal papillomas, three moderate or florid epithelial hyperplasia and one sclerosing adenosis). Of the sonographic ally detected architectural distortions, 35% were breast cancers or high-risk lesions and 35% were mild-risk lesions. Thus, a biopsy might be needed for an architectural distortion without an associated mass as depicted on breast ultrasound, even though the mammographic findings are normal

  15. Sonographic ally Detected Architectural Distortion: Clinical Significance

    International Nuclear Information System (INIS)

    Kim, Shin Kee; Seo, Bo Kyoung; Yi, Ann; Cha, Sang Hoon; Kim, Baek Hyun; Cho, Kyu Ran; Kim, Young Sik; Son, Gil Soo; Kim, Young Soo; Kim, Hee Young

    2008-01-01

    Architectural distortion is a suspicious abnormality for the diagnosis of breast cancer. The aim of this study was to investigate the clinical significance of sonographic ally detected architectural distortion. From January 2006 to June 2008, 20 patients were identified who had sonographic ally detected architectural distortions without a history of trauma or surgery and abnormal mammographic findings related to an architectural distortion. All of the lesions were pathologically verified. We evaluated the clinical and pathological findings and then assessed the clinical significance of the sonographic ally detected architectural distortions. Based on the clinical findings, one (5%) of the 20 patients had a palpable lump and the remaining 19 patients had no symptoms. No patient had a family history of breast cancer. Based on the pathological findings, three (15%) patients had malignancies. The malignant lesions included invasive ductal carcinomas (n = 2) and ductal carcinoma in situ (n = 1). Four (20%) patients had high-risk lesions: atypical ductal hyperplasia (n = 3) and lobular carcinoma in situ (n = 1). The remaining 13 (65%) patients had benign lesions, however, seven (35%) out of 13 patients had mild-risk lesions (three intraductal papillomas, three moderate or florid epithelial hyperplasia and one sclerosing adenosis). Of the sonographic ally detected architectural distortions, 35% were breast cancers or high-risk lesions and 35% were mild-risk lesions. Thus, a biopsy might be needed for an architectural distortion without an associated mass as depicted on breast ultrasound, even though the mammographic findings are normal

  16. COORDINATE TRANSFORMATION USING FEATHERSTONE AND VANÍČEK PROPOSED APPROACH - A CASE STUDY OF GHANA GEODETIC REFERENCE NETWORK

    Directory of Open Access Journals (Sweden)

    Yao Yevenyo Ziggah

    2017-03-01

    Full Text Available Most developing countries like Ghana are yet to adopt the geocentric datum for its surveying and mapping purposes. It is well known and documented that non-geocentric datums based on its establishment have more distortions in height compared with satellite datums. Most authors have argued that combining such height with horizontal positions (latitude and longitude in the transformation process could introduce unwanted distortions to the network. This is because the local geodetic height in most cases is assumed to be determined to a lower accuracy compared with the horizontal positions. In the light of this, a transformation model was proposed by Featherstone and Vaníček (1999 which avoids the use of height in both global and local datums in coordinate transformation. It was confirmed that adopting such a method reduces the effect of distortions caused by geodetic height on the transformation parameters estimated. Therefore, this paper applied Featherstone and Vaníček (FV model for the first time to a set of common points coordinates in Ghana geodetic reference network. The FV model was used to transform coordinates from global datum (WGS84 to local datum (Accra datum. The results obtained based on the Root Mean Square Error (RMSE and Mean Absolute Error (MAE in both Eastings and Northings were satisfactory. Thus, a RMSE value of 0.66 m and 0.96 m were obtained for the Eastings and Northings while 0.76 m and 0.73 m were the MAE values achieved. Also, the FV model attained a transformation accuracy of 0.49 m. Hence, this study will serve as a preliminary investigation in avoiding the use of height in coordinate transformation within Ghana’s geodetic reference network.

  17. Centi-pixel accurate real-time inverse distortion correction

    CSIR Research Space (South Africa)

    De Villiers, Johan P

    2008-11-01

    Full Text Available Inverse distortion is used to create an undistorted image from a distorted image. For each pixel in the undistorted image it is required to determine which pixel in the distorted image should be used. However the process of characterizing a lens...

  18. LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Spectroscopy of V4+ and V3+ ions in a forsterite crystal

    Science.gov (United States)

    Veremeichik, T. F.; Gaister, A. V.; Zharikov, Evgeny V.; Protopopov, V. N.; Smirnov, Valerii A.; Subbotin, Kirill A.

    2000-05-01

    The absorption spectra of impurity vanadium ions in forsterite crystals are studied in the wavelength range from 600 to 2000 nm. It is found that the V4+ ion in the tetrahedral coordination in crystals grown by the Czochralski technique exhibits strong absorption in the range from 600 to 1200 nm. The intense electron-vibrational progressions in the absorption spectra of impurity d-ions in crystals were observed for the first time at temperatures 300 and 77 K. In the authors' opinion, these progressions appear due to the formation of the oxovanadate complex and distortions of the structural tetrahedron. The forsterite crystal doped with V4+ ions has a very high absorption cross section (up to 2.1×10-18 cm2) and a continuous broad absorption band, which makes this crystal promising as a passive laser switch in the range between 600 and 1200 nm. At the same time, the V4+ ions in the forsterite crystal do not emit luminescence because of a high probability of the nonradiative relaxation of their excited state. It is shown that luminescence of a V:Mg2SiO4 crystal is related to the tetrahedral V3+ ion.

  19. Unprecedented Hexanuclear Cobalt(II Nonsymmetrical Salamo-Based Coordination Compound: Synthesis, Crystal Structure, and Photophysical Properties

    Directory of Open Access Journals (Sweden)

    Zong-Li Ren

    2018-03-01

    Full Text Available A novel hexanuclear Co(II coordination compound with a nonsymmetrical Salamo-type bisoxime ligandH4L, namely [{Co3(HL(MeO(MeOH2(OAc2}2]·2MeOH, was prepared and characterized by elemental analyses, UV–vis, IR and fluorescence spectra, and X-ray single-crystal diffraction analysis. Each Co(II is hexacoordinated, and possesses a distorted CoO6 or CoO4N2 octahedrons. The Co(II coordination compound possesses a self-assembled infinite 2D supramolecular structure with the help of the intermolecular C–H···O interactions. Meanwhile, the photophysical properties of the Co(II coordination compound were studied.

  20. FSD: Frequency Space Differential measurement of CMB spectral distortions

    Science.gov (United States)

    Mukherjee, Suvodip; Silk, Joseph; Wandelt, Benjamin D.

    2018-04-01

    Although the Cosmic Microwave Background agrees with a perfect blackbody spectrum within the current experimental limits, it is expected to exhibit certain spectral distortions with known spectral properties. We propose a new method, Frequency Space Differential (FSD) to measure the spectral distortions in the CMB spectrum by using the inter-frequency differences of the brightness temperature. The difference between the observed CMB temperature at different frequencies must agree with the frequency derivative of the blackbody spectrum, in the absence of any distortion. However, in the presence of spectral distortions, the measured inter-frequency differences would also exhibit deviations from blackbody which can be modeled for known sources of spectral distortions like y & μ. Our technique uses FSD information for the CMB blackbody, y, μ or any other sources of spectral distortions to model the observed signal. Successful application of this method in future CMB missions can provide an alternative method to extract spectral distortion signals and can potentially make it feasible to measure spectral distortions without an internal blackbody calibrator.

  1. Topotactic reduction of YBaCo2O5 and LaBaCo2O5: square-planar Co(I) in an extended oxide.

    Science.gov (United States)

    Seddon, James; Suard, Emmanuelle; Hayward, Michael A

    2010-03-03

    The low-temperature reduction of YBaCo(2)O(5) and LaBaCo(2)O(5) with NaH to form YBaCo(2)O(4.5) and YBaCo(2)O(4.25), respectively, demonstrates that the structures of anion-deficient materials formed by such topotactic reductions can be directed by the ordering and identity of the A-site cations. YBaCo(2)O(4.5) adopts a structure consisting of a corner-shared network of square-based pyramidal CoO(5) and distorted tetrahedral CoO(4) units. The structure of LaBaCoO(4.25) is more complex, consisting of an array of square-based pyramidal CoO(5), distorted tetrahedral CoO(4), and square planar CoO(4) units. Magnetic susceptibility and variable-temperature neutron diffraction data reveal that YBaCo(2)O(4.5) adopts a G-type antiferromagnetically ordered structure below T(N) approximately 280 K. LaBaCo(2)O(4.25) also adopts antiferromagnetic order (T(N) approximately 325 K) with ordered moments consistent with the presence of square-planar, low-spin, s = 0, Co(I) centers. A detailed analysis reveals that the different anion vacancy ordered structures adopted by the two REBaCo(2)O(5-x) phases are directed by the relative sizes and ordering of the La(3+) and Y(3+) cations. This suggests that ordered arrangements of A-cations can be used to direct the anion vacancy order in topotactically reduced phases, allowing the preparation of novel metal-oxygen networks containing unusual transition metal coordination environments.

  2. Ionic network analysis of tectosilicates: the example of coesite at variable pressure.

    Science.gov (United States)

    Reifenberg, Melina; Thomas, Noel W

    2018-04-01

    The method of ionic network analysis [Thomas (2017). Acta Cryst. B73, 74-86] is extended to tectosilicates through the example of coesite, the high-pressure polymorph of SiO 2 . The structural refinements of Černok et al. [Z. Kristallogr. (2014), 229, 761-773] are taken as the starting point for applying the method. Its purpose is to predict the unit-cell parameters and atomic coordinates at (p-T-X) values in-between those of diffraction experiments. The essential development step for tectosilicates is to define a pseudocubic parameterization of the O 4 cages of the SiO 4 tetrahedra. The six parameters a PC , b PC , c PC , α PC , β PC and γ PC allow a full quantification of the tetrahedral structure, i.e. distortion and enclosed volume. Structural predictions for coesite require that two separate quasi-planar networks are defined, one for the silicon ions and the other for the O 4 cage midpoints. A set of parametric curves is used to describe the evolution with pressure of these networks and the pseudocubic parameters. These are derived by fitting to the crystallographic data. Application of the method to monoclinic feldspars and to quartz and cristobalite is discussed. Further, a novel two-parameter quantification of the degree of tetrahedral distortion is described. At pressures in excess of ca 20.45 GPa it is not possible to find a self-consistent solution to the parametric curves for coesite, pointing to the likelihood of a phase transition.

  3. Analysis of coordination polyhedra symmetry in pyrochlore and zirconolite structures

    International Nuclear Information System (INIS)

    Troole, A.Y.; Stefanovsky, S.V.

    1999-01-01

    Zirconolite and pyrochlore are considered as promising host phases for high level waste (HLW). However, correct information on substitution mechanisms, forms of dopants incorporation in their structures and distortions in coordination polyhedra is presently unavailable. To clarify these points the authors use the electron paramagnetic resonance (EPR). Pyrochlore and three of zirconolite polytypes: zirconolite-2M, zirconolite-3T, and zirconolite-3O are considered. Pyrochlore is the parent structure for zirconolite since any zirconolite variety is produced by means of distortion of the initial pyrochlore structure. Space groups of pyrochlore and basic polymorphous zirconolite varieties found from XRD and TEM data, as well as interatomic distances and angles, were taken from reference data. This allows the determination of the most probable sites for impurities, substitution mechanisms, and local symmetry of coordination polyhedra (initial). Ions chosen for EPR were Gd(III) as an analog of trivalent rare earth and actinide elements which are also occurred in HLW and Fe(III) as a typical corrosion product which occurs in all HLW. For Gd(III) a strong ligand field approximation is suggested, theoretical computation using perturbation theory in this approximation has been carried out. All the non-diagonal members plus magnetic field were chosen as perturbation and formulate for transition frequencies, estimations of fine structure and g-factors parameters in the given approximation have been obtained

  4. 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.

  5. Impact of loudspeaker nonlinear distortion on personal sound zones

    DEFF Research Database (Denmark)

    Ma, Xiaohui; J. Hegarty, Patrick; Abildgaard Pedersen, Jan

    2018-01-01

    Personal sound zone systems aim at creating multiple listening zones within a shared space with minimum interference between zones, but the performance is often poorer than simulations predict and effects of nonlinear distortion are sometimes audible. This paper assesses the impact of nonlinear...... distortion on sound zones through simulations and measurements performed under anechoic conditions. Two sound zones, one bright and one dark, are created with acoustic contrast control using two loudspeaker arrays driven at 250 Hz. Nonlinear distortion is modelled using second or third order nonlinearities....... Simulations show that nonlinear distortion degrades the acoustic contrast, which is confirmed by experimental measurements. The harmonic distortion is audible in the dark zone. Frequency resolved measurements reveal that harmonic distortion contributes to contrast loss, but nonlinear effects...

  6. New Mn(II, Ni(II, Cd(II, Pb(II complexes with 2-methylbenzimidazole and other ligands. Synthesis, spectroscopic characterization, crystal structure, magnetic susceptibility and biological activity studies

    Directory of Open Access Journals (Sweden)

    Shayma A. Shaker

    2016-11-01

    Full Text Available Synthesis and characterization of Mn(II, Ni(II, Cd(II and Pb(II mixed ligand complexes of 2-methylbenzimidazole with other ligands have been reported. The structure of the ligands and their complexes was investigated using elemental analysis, IR, UV–Vis, (1H, 13C NMR spectroscopy, molar conductivity and magnetic susceptibility measurements. In all the studies of complexes, the 2-methylbenzimidazole behaves as a neutral monodentate ligand which is coordinated with the metal ions through the N atom. While benzotriazole behaves as a neutral bidentate ligand which is coordinated with the Ni(II ion through the two N atoms. Moreover, the N-acetylglycine behaves as a bidentate ligand which is coordinated with the Mn(II, Ni(II and Pb(II ions through the N atom and the terminal carboxyl oxygen atom. The magnetic and spectral data indicate the tetrahedral geometry for Mn(II complex, irregular tetrahedral geometry for Pb(II complex and octahedral geometry for Ni(II complex. The X-ray single crystal diffraction method was used to confirm a centrosymmetric dinuclear Cd(II complex as each two metal ions are linked by a pair of thiocyanate N = S bridge. Two 2-methylbenzimidazole N-atom donors and one terminal thiocyanate N atom complete a highly distorted square pyramid geometry around the Cd atom. Besides, different cell types were used to determine the inhibitory effect of Mn(II, Ni(II, Cd(II and Pb(II complexes on cell growth using MTT assay. Cd(II complex showed cytotoxic effect on various types of cancer cell lines with different EC50 values.

  7. 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)

  8. 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.

  9. Structural Change Accounting with Labor Market Distortions

    OpenAIRE

    Wenbiao Cai

    2014-01-01

    This paper quantifies the relative importance of sectoral productivity and labor market distortions for structural change. I use a model in which labor productivity is the product of TFP and human capital in each sector, but distortions generate wedges in wage per efficiency worker across sectors. I calculate human capital by sector using micro census data, and use the model to infer TFP and distortions such that it replicates structural change in the US, India, Mexico and Brazil between 1960...

  10. Influence of initial state distortion in ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Ciappina, M F [CONICET and Departamento de FIsica, Universidad Nacional del Sur, 8000 BahIa Blanca (Argentina); Cravero, W R [CONICET and Departamento de FIsica, Universidad Nacional del Sur, 8000 BahIa Blanca (Argentina); Garibotti, C R [CONICET and Division Colisiones Atomicas, Centro Atomico Bariloche, 8400 Bariloche (Argentina)

    2004-05-28

    We have studied the influence of initial state distortion in a single ionization by ion impact. We have taken a continuum distorted wave type distortion and by taking up to the first order in its asymptotic series expansion we build an eikonal-spherical distortion. In this way the influence of each term in the transition amplitude can be stated. This approximation can be considered an intermediate one between the eikonal initial state and the continuum distorted wave approaches for initial state distortion. We have computed doubly differential cross sections for helium ionization by protons and highly charged ions at high and intermediate impact energy. We have also discussed the contribution of the different terms in electron energy spectra, specially in the vicinity of ECC peak. Very good agreement is found with the available experimental data.

  11. Influence of initial state distortion in ion-atom collisions

    International Nuclear Information System (INIS)

    Ciappina, M F; Cravero, W R; Garibotti, C R

    2004-01-01

    We have studied the influence of initial state distortion in a single ionization by ion impact. We have taken a continuum distorted wave type distortion and by taking up to the first order in its asymptotic series expansion we build an eikonal-spherical distortion. In this way the influence of each term in the transition amplitude can be stated. This approximation can be considered an intermediate one between the eikonal initial state and the continuum distorted wave approaches for initial state distortion. We have computed doubly differential cross sections for helium ionization by protons and highly charged ions at high and intermediate impact energy. We have also discussed the contribution of the different terms in electron energy spectra, specially in the vicinity of ECC peak. Very good agreement is found with the available experimental data

  12. Cognitive Distortions in Depressed Women: Trait, or State Dependent?

    Directory of Open Access Journals (Sweden)

    Sedat BATMAZ

    2015-12-01

    Conclusion: The results have revealed that self-criticism, helplessness, hopelessness and preoccupation with danger related distortions had trait-like features, whereas self-blame related distortions were state dependent. This has clinical implications for the psychotherapeutic treatment of cognitive distortions in depression. Specifically, self-criticism related distortions should be managed during cognitive therapy for depression since the other subscales seem rather problematic. [JCBPR 2015; 4(3.000: 147-152

  13. Advanced Machining Toolpath for Low Distortion

    Science.gov (United States)

    2017-02-28

    Advanced Machining Toolpath for Low Distortion FINAL STATUS REPORT Prepared by Brian Becker R&D Technology Manager Third Wave Systems, Inc... Machining Toolpath for Low Distortion December 2016 Contract No.: W911W6-16-P-0044 2 Table of Contents 1.0 EXECUTIVE SUMMARY...2 2.1 Task 1: Collect Details of Machining Lab to Support

  14. 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.

  15. Objective and expert-independent validation of retinal image registration algorithms by a projective imaging distortion model.

    Science.gov (United States)

    Lee, Sangyeol; Reinhardt, Joseph M; Cattin, Philippe C; Abràmoff, Michael D

    2010-08-01

    Fundus camera imaging of the retina is widely used to diagnose and manage ophthalmologic disorders including diabetic retinopathy, glaucoma, and age-related macular degeneration. Retinal images typically have a limited field of view, and multiple images can be joined together using an image registration technique to form a montage with a larger field of view. A variety of methods for retinal image registration have been proposed, but evaluating such methods objectively is difficult due to the lack of a reference standard for the true alignment of the individual images that make up the montage. A method of generating simulated retinal images by modeling the geometric distortions due to the eye geometry and the image acquisition process is described in this paper. We also present a validation process that can be used for any retinal image registration method by tracing through the distortion path and assessing the geometric misalignment in the coordinate system of the reference standard. The proposed method can be used to perform an accuracy evaluation over the whole image, so that distortion in the non-overlapping regions of the montage components can be easily assessed. We demonstrate the technique by generating test image sets with a variety of overlap conditions and compare the accuracy of several retinal image registration models. Copyright 2010 Elsevier B.V. All rights reserved.

  16. Effects of Visual Feedback Distortion on Gait Adaptation: Comparison of Implicit Visual Distortion Versus Conscious Modulation on Retention of Motor Learning.

    Science.gov (United States)

    Kim, Seung-Jae; Ogilvie, Mitchell; Shimabukuro, Nathan; Stewart, Trevor; Shin, Joon-Ho

    2015-09-01

    Visual feedback can be used during gait rehabilitation to improve the efficacy of training. We presented a paradigm called visual feedback distortion; the visual representation of step length was manipulated during treadmill walking. Our prior work demonstrated that an implicit distortion of visual feedback of step length entails an unintentional adaptive process in the subjects' spatial gait pattern. Here, we investigated whether the implicit visual feedback distortion, versus conscious correction, promotes efficient locomotor adaptation that relates to greater retention of a task. Thirteen healthy subjects were studied under two conditions: (1) we implicitly distorted the visual representation of their gait symmetry over 14 min, and (2) with help of visual feedback, subjects were told to walk on the treadmill with the intent of attaining the gait asymmetry observed during the first implicit trial. After adaptation, the visual feedback was removed while subjects continued walking normally. Over this 6-min period, retention of preserved asymmetric pattern was assessed. We found that there was a greater retention rate during the implicit distortion trial than that of the visually guided conscious modulation trial. This study highlights the important role of implicit learning in the context of gait rehabilitation by demonstrating that training with implicit visual feedback distortion may produce longer lasting effects. This suggests that using visual feedback distortion could improve the effectiveness of treadmill rehabilitation processes by influencing the retention of motor skills.

  17. Changes in Pain Modulation Occur Soon After Whiplash Trauma but are not Related to Altered Perception of Distorted Visual Feedback.

    Science.gov (United States)

    Daenen, Liesbeth; Nijs, Jo; Cras, Patrick; Wouters, Kristien; Roussel, Nathalie

    2014-09-01

    Widespread sensory hypersensitivity has been observed in acute whiplash associated disorders (WAD). Changes in descending pain modulation take part in central sensitization. However, endogenous pain modulation has never been investigated in acute WAD. Altered perception of distorted visual feedback has been observed in WAD. Both mechanisms (ie, pain modulation and perception of distorted visual feedback) may be different components of one integrated system orchestrated by the brain. This study evaluated conditioned pain modulation (CPM) in acute WAD. Secondly, we investigated whether changes in CPM are associated with altered perception of distorted visual feedback. Thirty patients with acute WAD, 35 patients with chronic WAD and 31 controls were subjected to an experiment evaluating CPM and a coordination task inducing visual mediated changes between sensory feedback and motor output. A significant CPM effect was observed in acute WAD (P = 0.012 and P = 0.006), which was significantly lower compared to controls (P = 0.004 and P = 0.020). No obvious differences in CPM were found between acute and chronic WAD (P = 0.098 and P = 0.041). Changes in CPM were unrelated to altered perception of distorted visual feedback (P > 0.01). Changes in CPM were observed in acute WAD, suggesting less efficient pain modulation. The results suggest that central pain and sensorimotor processing underlie distinctive mechanisms. © 2013 World Institute of Pain.

  18. 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.

  19. A Cognitive Distortions and Deficits Model of Suicide Ideation

    Directory of Open Access Journals (Sweden)

    Laura L. Fazakas-DeHoog

    2017-05-01

    Full Text Available Although cognitive distortions and deficits are known risk factors for the development and escalation of suicide ideation and behaviour, no empirical work has examined how these variables interact to predict suicide ideation. The current study proposes an integrative model of cognitive distortions (hopelessness and negative evaluations of self and future and deficits (problem solving deficits, problem solving avoidance, and cognitive rigidity. To test the integrity of this model, a sample of 397 undergraduate students completed measures of deficits, distortions, and current suicide ideation. A structural equation model demonstrated excellent fit, and findings indicated that only distortions have a direct effect on suicidal thinking, whereas cognitive deficits may exert their effects on suicide ideation via their reciprocal relation with distortions. Findings underscore the importance of both cognitive distortions and deficits for understanding suicidality, which may have implications for preventative efforts and treatment.

  20. Bilateral Symmetry of Distortions of Tactile Size Perception.

    Science.gov (United States)

    Longo, Matthew R; Ghosh, Arko; Yahya, Tasneem

    2015-01-01

    The perceived distance between touches on the limbs is generally bigger for distances oriented across the width of the limb than for distances oriented along the length of the limb. The present study aimed to investigate the coherence of such distortions of tactile size perception across different skin surfaces. We investigated distortions of tactile size perception on the dorsal and palmar surfaces of both the left and right hands as well as the forehead. Participants judged which of two tactile distances felt larger. One distance was aligned with the proximodistal axis (along the body), the other with the mediolateral axis (across the body). Clear distortions were found on all five skin surfaces, with stimuli oriented across the width of the body being perceived as farther apart than those oriented along the length of the body. Consistent with previous results, distortions were smaller on the palmar than on the dorsal hand surface. Distortion on the forehead was intermediate between the dorsal and palmar surfaces. There were clear correlations between distortion on the left and right hands, for both the dorsal and palmar skin surfaces. In contrast, within each hand, there was no significant correlation between the two skin surfaces. Distortion on the forehead was not significantly correlated with that on any of the other skin surfaces. These results provide evidence for bilaterally symmetric representations underlying tactile size perception. © The Author(s) 2015.

  1. Redetermination of Ce[B5O8(OH(H2O]NO3·2H2O

    Directory of Open Access Journals (Sweden)

    Ya-Xi Huang

    2012-05-01

    Full Text Available The crystal structure of Ce[B5O8(OH(H2O]NO3·2H2O, cerium(III aquahydroxidooctaoxidopentaborate nitrate dihydrate, has been redetermined from single-crystal X-ray diffraction data. In contrast to the previous determination [Li et al. (2003. Chem. Mater. 15, 2253–2260], the present study reveals the location of all H atoms, slightly different fundamental building blocks (FBBs of the polyborate anions, more reasonable displacement ellipsoids for all non-H atoms, as well as a model without disorder of the nitrate anion. The crystal structure is built from corrugated polyborate layers parallel to (010. These layers, consisting of [B5O8(OH(H2O]2− anions as FBBs, stack along [010] and are linked by Ce3+ ions, which exhibit a distorted CeO10 coordination sphere. The layers are additionally stabilized via O—H...O hydrogen bonds between water molecules and nitrate anions, located at the interlayer space. The [BO3(H2O]-group shows a [3 + 1] coordination and is considerably distorted from a tetrahedral configuration. Bond-valence-sum calculation shows that the valence sum of boron is only 2.63 valence units (v.u. when the contribution of the water molecule (0.49 v.u. is neglected.

  2. Four Mixed-Ligand Zn(II Three-Dimensional Metal-Organic Frameworks: Synthesis, Structural Diversity, and Photoluminescent Property

    Directory of Open Access Journals (Sweden)

    Chih-Chieh Wang

    2017-11-01

    Full Text Available Assemblies of four three-dimensional (3D mixed-ligand coordination polymers (CPs having formulas, {[Zn2(bdc2(4-bpdh]·C2H5OH·2H2O}n (1, [Zn(bdc(4-bpdh]n (2, {[Zn2(bdc2(4-bpdh2]·(4-bpdh}n (3, and {[Zn(bdc(4-bpdh]·C2H5OH}n (4 (bdc2− = dianion of 1,4-benzenedicarboxylic acid, 4-bpdh = 2,5-bis(4-pyridyl-3,4-diaza-2,4-hexadiene have been synthesized and structurally characterized by single-crystal X-ray diffraction method. Structural determination reveals that the coordination numbers (geometry of Zn(II ions in 1, 2, 3, and 4 are five (distorted square-pyramidal (SP, six (distorted octahedral (Oh, five (trigonal-bipyramidal (TBP, and four (tetrahedral (Td, respectively, and are bridged by 4-bpdh with bis-monodentate coordination mode and bdc2− ligands with bis-bidentate in 1, chelating/bidentate in 2, bis-monodentate and bis-bidentate in 3, and bis-monodentate in 4, to generate two-fold interpenetrating 3D cube-like metal-organic framework (MOF with pcu topology, non-interpenetrating 3D MOF, two-fold interpenetrating 3D rectangular-box-like MOF with pcu topology and five-fold interpenetrating diamondoid-like MOF with dia topology, respectively. These different intriguing architectures indicate that the coordination numbers and geometries of Zn(II ions, coordination modes of bdc2− ligand, and guest molecules play important roles in the construction of MOFs and the formation of the structural topologies and interpenetrations. Thermal stabilities, and photoluminescence study of 1–4 were also studied in detail. The complexes exhibit ligands based photoluminescence properties at room temperature.

  3. catena-Poly[[(triphenylphosphane-κPcopper(I]-di-μ-bromido-[(triphenylphosphane-κPcopper(I]-μ-1,3-bis(pyridin-4-ylpropane-κ2N:N′

    Directory of Open Access Journals (Sweden)

    Jinfang Zhang

    2012-03-01

    Full Text Available Through a diffusion reaction, cuprous bromide, triphenylphosphane and 1,3-bis(pyridin-4-ylpropane (bpp were self-assembled to form the one-dimensional title compound, [Cu2Br2(C13H14N2(C18H15P2]n. Each CuI atom is coordinated by two Br atoms, one P atom from a triphenylphosphane ligand and one N atom from a bpp molecule in a distorted tetrahedral geometry. Two μ2-Br bridges connect two [Cu(PPh3]+ units to form neutral [CuBr(PPh3]2 dimers, which are linked by the flexible bridging bpp ligands to form a one-dimensional chain structure parallel to the c axis. The dihedral angle between the pyridine rings of the bpp ligand is 34.59 (14°.

  4. Crystal structure of dichloridobis(dimethyl N-cyanodithioiminocarbonatecobalt(II

    Directory of Open Access Journals (Sweden)

    Mouhamadou Birame Diop

    2016-01-01

    Full Text Available The structure of the mononuclear title complex, [{(H3CS2C=NC[triple-bond] N}2CoCl2], consists of a CoII atom coordinated in a distorted tetrahedral manner by two Cl− ligands and the terminal N atoms of two dimethyl N-cyanodithioiminocarbonate ligands. The two organic ligands are almost coplanar, with a dihedral angle of 5.99 (6° between their least-squares planes. The crystal packing features pairs of inversion-related complexes that are held together through C—H...Cl and C—H...S interactions and π–π stacking [centroid-to-centroid distance = 3.515 (su? Å]. Additional C—H...Cl and C—H...S interactions, as well as Cl...S contacts < 3.6 Å, consolidate the crystal packing.

  5. 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

  6. Vibronic coupling in ionized organic molecules: structural distortions and chemical reactions

    International Nuclear Information System (INIS)

    Williams, Ffrancon

    2003-01-01

    Ionized organic molecules (radical cations) in radiation chemistry are liable to undergo vibronic coupling whenever there is a relatively small energy gap (∼0.5-1.5 eV) between their ground and excited states. As a result of this mixing, the force constant for the symmetry-allowed vibrational mode that couples these states is lowered in the ground state of the radical cation so that deformation can take place more easily along this specific mode. This pseudo-Jahn-Teller effect can then result in a permanent structural distortion of the radical cation relative to the symmetry of the parent neutral molecule. It can also bring about an energetically favored pathway for a facile chemical rearrangement along a reaction coordinate defined by the coupling mode. Examples taken from matrix-isolation studies are used to illustrate these dramatic consequences of vibronic coupling in radical cations. Thus, the bicyclo[2.2.2]oct-2-ene and tetramethylurea radical cations are found to have twisted structures departing from the C 2v symmetry of their parent molecules, while the oxirane and bicyclo[1.1.1]pentane radical cations undergo ring-opening rearrangements along reaction coordinates that correspond to the deformational modes predicted by the pseudo-Jahn-Teller effect

  7. Systems and methods for mirror mounting with minimized distortion

    Science.gov (United States)

    Antonille, Scott R. (Inventor); Wallace, Thomas E. (Inventor); Content, David A. (Inventor); Wake, Shane W. (Inventor)

    2012-01-01

    A method for mounting a mirror for use in a telescope includes attaching the mirror to a plurality of adjustable mounts; determining a distortion in the mirror caused by the plurality adjustable mounts, and, if the distortion is determined to be above a predetermined level: adjusting one or more of the adjustable mounts; and determining the distortion in the mirror caused by the adjustable mounts; and in the event the determined distortion is determined to be at or below the predetermined level, rigidizing the adjustable mounts.

  8. 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

  9. Modelling the Perceptual Components of Loudspeaker Distortion

    DEFF Research Database (Denmark)

    Olsen, Sune L.; Agerkvist, Finn T.; MacDonald, Ewen

    2016-01-01

    While non-linear distortion in loudspeakers decreases audio quality, the perceptual consequences can vary substantially. This paper investigates the metric Rnonlin [1] which was developed to predict subjective measurements of sound quality in nonlinear systems. The generalisability of the metric...... the perceptual consequences of non-linear distortion....

  10. A tetrasilver(Iditungsten(VI cluster with sulfide and bis(diphenylphosphinomethane ligands

    Directory of Open Access Journals (Sweden)

    Cun-Lin Zhang

    2010-10-01

    Full Text Available The asymmetric unit of the title complex, [Ag4W2S8(C25H22P23]·2C3H7NO, tris[μ2-bis(diphenylphosphinomethane]-3:6κ2P:P′;4:5κ2P:P′;5:6κ2P:P′-μ5-sulfido-2:3:4:5:6κ5S-μ3-sulfido-1:3:4κ3S-tetra-μ2-sulfido-1:3κ2S;1:4κ2S;2:5κ2S;2:6κ2S-disulfido-1κS,2κS-tetrasilver(Iditungsten(VI N,N-dimethylformamide disolvate, contains two [WS4]2− anions, four silver cations, three bidentate–bridging bis(diphenylphosphinomethane (dppm ligands and two N,N-dimethylformamide (DMF solvent molecules. The coordination geometry of each Ag atom is distorted tetrahedral. Two Ag ions are coordinated by μ2-S and μ5-S atoms, and by two P atoms from two dppm ligands, while the other two Ag atoms are coordinated by μ2-S, μ3-S and μ5-S atoms, and by one P atom from a dppm ligand.

  11. On the existence of PbBi3PO8

    International Nuclear Information System (INIS)

    Steinfink, H.; Dass, R.I.; Lynch, V.; Harlow, R.L.; Lee, P.L.

    2005-01-01

    The title compound crystallizes in the tetragonal system, a = 11.733(2) A, c = 15.587(3) A, I4 mm, Z = 10. Data were collected at the Argonne National Laboratory synchrotron source at λ = 0.15359 A. Least squares refinement on F 2 converged to R1 = 0.039. The oxygen coordination polyhedra around Bi and Pb display the distortions typical of 6s 2 lone-pair atoms. One Bi is disordered. Bi-O bonds vary from 2.08(2) to 2.96(1) A. One Pb is in cubic coordination to oxygen and the second Pb is bonded to six oxygen atoms that form a rectangular pyramid and a seventh oxygen is off one of the rectangular faces of the pyramid. Pb-O bonds vary from 2.303(6) to 2.804(17) A. Of the two crystallographically independent P one is in a single tetrahedral coordination while the second is at the center of two disordered tetrahedra. Units of OM 4 tetrahedra, M = Bi/Pb, articulate into a three-dimensional framework by corner and edge sharing that is strengthened by corner sharing with PO 4 moieties

  12. 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.

  13. Off-shell distortions of multichannel atomic processes

    Science.gov (United States)

    Barrachina, R. O.; Clauser, C. F.

    2017-10-01

    Any multichannel problem can be reduced to a succession of two-body events. However, these basic building blocks of many-body theories do not correspond to elastic processes but are off-the-energy-shell. In view of this difficulty, the great majority of the Distorted-Wave models includes a subsidiary approximation where these off-shell terms are arbitrarily forced to lie on the energy shell. At a first glance, since the energy deficiency is negligible for high enough velocities, the on-shell assumption seems to be completely justified. However, for the case of Coulomb interactions, the two-body off-shell distortions have branch-point singularities on the on-shell limit. In this article we demonstrate that these singularities might produce sizeable distortions of multiple scattering amplitudes, mainly when dealing with ion-ion collisions. Finally, we propose a method of including these distortions that might lead to better results that removing them completely.

  14. 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.

  15. Modeling Kinetics of Distortion in Porous Bi-layered Structures

    DEFF Research Database (Denmark)

    Tadesse Molla, Tesfaye; Frandsen, Henrik Lund; Bjørk, Rasmus

    2013-01-01

    because of different sintering rates of the materials resulting in undesired distortions of the component. An analytical model based on the continuum theory of sintering has been developed to describe the kinetics of densification and distortion in the sintering processes. A new approach is used...... to extract the material parameters controlling shape distortion through optimizing the model to experimental data of free shrinkage strains. The significant influence of weight of the sample (gravity) on the kinetics of distortion is taken in to consideration. The modeling predictions indicate good agreement...

  16. Harmonic distortion in microwave photonic filters.

    Science.gov (United States)

    Rius, Manuel; Mora, José; Bolea, Mario; Capmany, José

    2012-04-09

    We present a theoretical and experimental analysis of nonlinear microwave photonic filters. Far from the conventional condition of low modulation index commonly used to neglect high-order terms, we have analyzed the harmonic distortion involved in microwave photonic structures with periodic and non-periodic frequency responses. We show that it is possible to design microwave photonic filters with reduced harmonic distortion and high linearity even under large signal operation.

  17. CMB spectral distortions as solutions to the Boltzmann equations

    Energy Technology Data Exchange (ETDEWEB)

    Ota, Atsuhisa, E-mail: a.ota@th.phys.titech.ac.jp [Department of Physics, Tokyo Institute of Technology, Tokyo 152-8551 (Japan)

    2017-01-01

    We propose to re-interpret the cosmic microwave background spectral distortions as solutions to the Boltzmann equation. This approach makes it possible to solve the second order Boltzmann equation explicitly, with the spectral y distortion and the momentum independent second order temperature perturbation, while generation of μ distortion cannot be explained even at second order in this framework. We also extend our method to higher order Boltzmann equations systematically and find new type spectral distortions, assuming that the collision term is linear in the photon distribution functions, namely, in the Thomson scattering limit. As an example, we concretely construct solutions to the cubic order Boltzmann equation and show that the equations are closed with additional three parameters composed of a cubic order temperature perturbation and two cubic order spectral distortions. The linear Sunyaev-Zel'dovich effect whose momentum dependence is different from the usual y distortion is also discussed in the presence of the next leading order Kompaneets terms, and we show that higher order spectral distortions are also generated as a result of the diffusion process in a framework of higher order Boltzmann equations. The method may be applicable to a wider class of problems and has potential to give a general prescription to non-equilibrium physics.

  18. Distortional solutions for loaded semi-discretized thin-walled beams

    DEFF Research Database (Denmark)

    Andreassen, Michael Joachim; Jönsson, Jeppe

    2012-01-01

    distortional displacement fields which decouple the reduced order differential equations. In this process the cross section is discretized into finite cross-section elements, and the natural distortional modes as well as the related axial variations are found as solutions to the established coupled fourth...... order homogeneous differential equations of GBT.In this paper the non-homogeneous distortional differential equations of GBT are formulated using this novel semi-discretization process. Transforming these non-homogeneous distortional differential equations into the natural eigenmode space by using...... the distortional modal matrix found for the homogeneous system, we get the uncoupled set of differential equations including the distributed loads. This uncoupling is very important in GBT, since the shear stiffness contribution from St. Venant torsional shear stress as well as “Bredt's shear flow” cannot...

  19. Deep subcritical levels measurements dependents upon kinetic distortion factors

    International Nuclear Information System (INIS)

    Pan Shibiao; Li Xiang; Fu Guo'en; Huang Liyuan; Mu Keliang

    2013-01-01

    The measurement of deep subcritical levels, with the increase of subcriticality, showed that the results impact on the kinetic distortion effect, along with neutron flux strongly deteriorated. Using the diffusion theory, calculations have been carried out to quantify the kinetic distortion correction factors in subcritical systems, and these indicate that epithermal neutron distributions are strongly affected by kinetic distortion. Subcriticality measurements in four different rod-state combination at the zero power device was carried out. The test data analysis shows that, with increasing subcriticality, kinetic distortion effect correction factor gradually increases from 1.052 to 1.065, corresponding reactive correction amount of 0.78β eff ∼ 3.01β eff . Thus, it is necessary to consider the kinetic distortion effect in the deep subcritical reactivity measurements. (authors)

  20. Synthesis, structure and fluorescence properties of a novel 3D Sr(II) coordination polymer

    Science.gov (United States)

    Tan, Yu-Hui; Xu, Qing; Gu, Zhi-Feng; Gao, Ji-Xing; Wang, Bin; Liu, Yi; Yang, Chang-Shan; Tang, Yun-Zhi

    2016-09-01

    Solvothermal reaction of 2,2‧-bipyridine-5,5‧-dicarboxylic acid (H2bpdc) and SrCl2 affords a novel coordination polymer [Sr(Hbpdc)2]n1. X-ray structure determination shows that 1 exhibits a novel three-dimensional network. The unique Sr II cation sits on a two-fold axis and coordinated by four O-atom donors from four Hbptc- ligands and four N-atom donors from two Hbptc- ligands in distorted dodecahedral geometry. In 1 each Sr II cation connects to six different Hbptc- ligands and each Hbptc- ligand bridges three different Sr II cations which results in the formation of a three-dimensional polymeric structure. Corresponding to the free ligand, the fluorescent emission of complex 1 display remarkable "Einstain" shifts, which may be attributed to the coordination interaction of Sr atoms, thus reduce the rigidity of pyridyl rings.

  1. Improved Life of Die Casting Dies of H13 Steel by Attaining Improved Mechanical Properties and Distortion Control During Heat Treatment

    Energy Technology Data Exchange (ETDEWEB)

    J. F. Wallace; D. Schwam

    1998-10-01

    The ultimate goal of this project is to increase die casting die life by using fast enough quenching rates to obtain good toughness and fatigue resistance in premium grade H-13 steel dies. The main tasks of the project were to compile a database on physical and mechanical properties of H-13; conduct gas quenching experiments to determine cooling rates of dies in difference vacuum furnaces; measure the as-quenched distortion of dies and the residual stresses; generate finite element analysis models to predict cooling rates, distortion, and residual stress of gas quenched dies; and establish rules and create PC-based expert system for prediction of cooling rates, distortion, and residual stress in vacuum/gas quenched H-13 dies. Cooling curves during gas quenching of H-13 blocks and die shapes have been measured under a variety of gas pressure. Dimensional changes caused by the gas quenching processes have been determined by accurate mapping of all surfaces with coordinate measuring machines before and after the quench. Residual stresses were determined by the ASTM E837 hole-drilling strain gage method. To facilitate the computer modeling work, a comprehensive database of H-13 mechanical and physical properties has been compiled. Finite element analysis of the heat treated shapes has been conducted using the TRAST/ABAQUS codes. There is a good fit between the predicted and measured distortion contours. However, the magnitude of the predicted distortion and residual stresses does not match well the measured values. Further fine tuning of the model is required before it can be used to predict distortion and residual stress in a quantitative manner. This last step is a prerequisite to generating rules for a reliable expert system.

  2. Six-Coordinate Ln(III Complexes with Various Coordination Geometries Showing Distinct Magnetic Properties

    Directory of Open Access Journals (Sweden)

    Mei Guo

    2018-01-01

    Full Text Available The syntheses, structural characterization, and magnetic properties of three lanthanide complexes with formulas [Ln(L13] (Ln = Dy (1Dy; Er (1Er; and [Dy(L22] (2Dy were reported. Complexes 1Dy and 1Er are isostructural with the metal ion in distorted trigonal-prismatic coordination geometry, but exhibit distinct magnetic properties due to the different shapes of electron density for DyIII (oblate and ErIII (prolate ions. Complex 1Dy shows obvious SMM behavior under a zero direct current (dc field with an effective energy barrier of 31.4 K, while complex 1Er only features SMM behavior under a 400 Oe external field with an effective energy barrier of 23.96 K. In stark contrast, complex 2Dy with the octahedral geometry only exhibits the frequency dependence of alternating current (ac susceptibility signals without χ″ peaks under a zero dc field.

  3. Lattice shear distortions in fluorite structure oxides

    International Nuclear Information System (INIS)

    Faber, J. Jr.; Mueller, M.H.; Hitterman, R.L.

    1979-01-01

    Crystallographic shear distortions have been observed in fluorite structure, single crystals of UO 2 and Zr(Ca)O 2 /sub-x/ by neutron-diffraction techniques. These distortions localize on the oxygen sublattice and do not require the presence of an external strain. The internal rearrangement mode in UO 2 is a transverse, zone boundary q vector = 2π/a (0.5, 0.0) deformation with amplitude 0.014 A. In Zr(Ca)O/sub 2-x/, the mode is a longitudinal, q vector = 2-/a (0,0,0.5) deformation with amplitude 0.23 A. Cation-anion elastic interactions dominate in selecting the nature of the internal distortion

  4. Coulomb Distortion in the Inelastic Regime

    Energy Technology Data Exchange (ETDEWEB)

    Patricia Solvignon, Dave Gaskell, John Arrington

    2009-09-01

    The Coulomb distortion effects have been for a long time neglected in deep inelastic scattering for the good reason that the incident energies were very high. But for energies in the range of earlier data from SLAC or at JLab, the Coulomb distortion could have the potential consequence of affecting the A-dependence of the EMC effect and of the longitudinal to transverse virtual photon absorption cross section ratio $R(x,Q^2)$.

  5. Effects of image distortion correction on voxel-based morphometry

    International Nuclear Information System (INIS)

    Goto, Masami; Abe, Osamu; Kabasawa, Hiroyuki

    2012-01-01

    We aimed to show that correcting image distortion significantly affects brain volumetry using voxel-based morphometry (VBM) and to assess whether the processing of distortion correction reduces system dependency. We obtained contiguous sagittal T 1 -weighted images of the brain from 22 healthy participants using 1.5- and 3-tesla magnetic resonance (MR) scanners, preprocessed images using Statistical Parametric Mapping 5, and tested the relation between distortion correction and brain volume using VBM. Local brain volume significantly increased or decreased on corrected images compared with uncorrected images. In addition, the method used to correct image distortion for gradient nonlinearity produced fewer volumetric errors from MR system variation. This is the first VBM study to show more precise volumetry using VBM with corrected images. These results indicate that multi-scanner or multi-site imaging trials require correction for distortion induced by gradient nonlinearity. (author)

  6. Tomosynthesis-detected Architectural Distortion: Management Algorithm with Radiologic-Pathologic Correlation.

    Science.gov (United States)

    Durand, Melissa A; Wang, Steven; Hooley, Regina J; Raghu, Madhavi; Philpotts, Liane E

    2016-01-01

    As use of digital breast tomosynthesis becomes increasingly widespread, new management challenges are inevitable because tomosynthesis may reveal suspicious lesions not visible at conventional two-dimensional (2D) full-field digital mammography. Architectural distortion is a mammographic finding associated with a high positive predictive value for malignancy. It is detected more frequently at tomosynthesis than at 2D digital mammography and may even be occult at conventional 2D imaging. Few studies have focused on tomosynthesis-detected architectural distortions to date, and optimal management of these distortions has yet to be well defined. Since implementing tomosynthesis at our institution in 2011, we have learned some practical ways to assess architectural distortion. Because distortions may be subtle, tomosynthesis localization tools plus improved visualization of adjacent landmarks are crucial elements in guiding mammographic identification of elusive distortions. These same tools can guide more focused ultrasonography (US) of the breast, which facilitates detection and permits US-guided tissue sampling. Some distortions may be sonographically occult, in which case magnetic resonance imaging may be a reasonable option, both to increase diagnostic confidence and to provide a means for image-guided biopsy. As an alternative, tomosynthesis-guided biopsy, conventional stereotactic biopsy (when possible), or tomosynthesis-guided needle localization may be used to achieve tissue diagnosis. Practical uses for tomosynthesis in evaluation of architectural distortion are highlighted, potential complications are identified, and a working algorithm for management of tomosynthesis-detected architectural distortion is proposed. (©)RSNA, 2016.

  7. The evolution of costly mate choice against segregation distorters.

    Science.gov (United States)

    Manser, Andri; Lindholm, Anna K; Weissing, Franz J

    2017-12-01

    The evolution of female preference for male genetic quality remains a controversial topic in sexual selection research. One well-known problem, known as the lek paradox, lies in understanding how variation in genetic quality is maintained in spite of natural selection and sexual selection against low-quality alleles. Here, we theoretically investigate a scenario where females pay a direct fitness cost to avoid males carrying an autosomal segregation distorter. We show that preference evolution is greatly facilitated under such circumstances. Because the distorter is transmitted in a non-Mendelian fashion, it can be maintained in the population despite directional sexual selection. The preference helps females avoid fitness costs associated with the distorter. Interestingly, we find that preference evolution is limited if the choice allele induces a very strong preference or if distortion is very strong. Moreover, the preference can only persist in the presence of a signal that reliably indicates a male's distorter genotype. Hence, even in a system where the lek paradox does not play a major role, costly preferences can only spread under specific circumstances. We discuss the importance of distorter systems for the evolution of costly female choice and potential implications for the use of artificial distorters in pest control. © 2017 The Author(s). Evolution © 2017 The Society for the Study of Evolution.

  8. Smart Sensing Methodology for Object Identification Using Circularly Polarized Luminescence from Coordination-Driven Self-Assembly.

    Science.gov (United States)

    Imai, Yuki; Nakano, Yuka; Kawai, Tsuyoshi; Yuasa, Junpei

    2018-05-21

    This work demonstrates a potential use of circularly polarized luminescence for object identification methodology in a sensor application. Towards this aim, we have developed new luminescence probes using pyrene derivatives as sensor luminophores. The probes [(R,R)- and (S,S)-Im2Py] contain two chiral imidazole moieties at 1,6-positions through ethynyl spacers (the angle between the spacers is close to 180°). The probe molecules spontaneously self-assemble into chiral stacks (P or M helicity) upon coordination to metal ions with tetrahedral coordination preference (e.g., Zn2+). The chiral probes display neither circular dichroism (CD) nor circularly polarized luminescence (CPL) in the absence of metal ions. However, [(R,R)- and (S,S)-Im2Py] begins to exhibit intense chiroptical activity (CD and CPL) upon self-assembly with Zn2+ ions. The unique chiroptical properties of [(R,R)- and (S,S)-Im2Py] with chemical stimuli-responsibility are capable of demonstrating the new sensing methodology using the CPL signal as detection output, enabling us to discriminate between a signal from the target analyte and that from non-target species. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Distortion dependent intersystem crossing

    DEFF Research Database (Denmark)

    Stephansen, Anne Boutrup; Sølling, Theis Ivan

    2017-01-01

    . The effect is observed to increase in the presence of methyl-groups on the pinnacle carbon-atoms, where largest extents of r and p orbital-mixing are observed. This is fully consistent with the time-resolved spectroscopy data: Toluene and p-xylene show evidence for ultrafast triplet formation competing......The competition between ultrafast intersystem crossing and internal conversion in benzene, toluene, and p-xylene is investigated with time-resolved photoelectron spectroscopy and quantum chemical calculations. By exciting to S2 out-of-plane symmetry breaking, distortions are activated at early...... times whereupon spin-forbidden intersystem crossing becomes (partly) allowed. Natural bond orbital analysis suggests that the pinnacle carbon atoms distorting from the aromatic plane change hybridization between the planar Franck-Condon geometry and the deformed (boat-shaped) S2 equilibrium geometry...

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  11. Amorphous chalcogenides as random octahedrally bonded solids: I. Implications for the first sharp diffraction peak, photodarkening, and Boson peak

    Science.gov (United States)

    Lukyanov, Alexey; Lubchenko, Vassiliy

    2017-09-01

    We develop a computationally efficient algorithm for generating high-quality structures for amorphous materials exhibiting distorted octahedral coordination. The computationally costly step of equilibrating the simulated melt is relegated to a much more efficient procedure, viz., generation of a random close-packed structure, which is subsequently used to generate parent structures for octahedrally bonded amorphous solids. The sites of the so-obtained lattice are populated by atoms and vacancies according to the desired stoichiometry while allowing one to control the number of homo-nuclear and hetero-nuclear bonds and, hence, effects of the mixing entropy. The resulting parent structure is geometrically optimized using quantum-chemical force fields; by varying the extent of geometric optimization of the parent structure, one can partially control the degree of octahedrality in local coordination and the strength of secondary bonding. The present methodology is applied to the archetypal chalcogenide alloys AsxSe1-x. We find that local coordination in these alloys interpolates between octahedral and tetrahedral bonding but in a non-obvious way; it exhibits bonding motifs that are not characteristic of either extreme. We consistently recover the first sharp diffraction peak (FSDP) in our structures and argue that the corresponding mid-range order stems from the charge density wave formed by regions housing covalent and weak, secondary interactions. The number of secondary interactions is determined by a delicate interplay between octahedrality and tetrahedrality in the covalent bonding; many of these interactions are homonuclear. The present results are consistent with the experimentally observed dependence of the FSDP on arsenic content, pressure, and temperature and its correlation with photodarkening and the Boson peak. They also suggest that the position of the FSDP can be used to infer the effective particle size relevant for the configurational equilibration in

  12. Spectroscopy of V4+ and V3+ ions in a forsterite crystal

    International Nuclear Information System (INIS)

    Veremeichik, T F; Gaister, A V; Subbotin, Kirill A; Zharikov, Evgeny V; Protopopov, V N; Smirnov, Valerii A

    2000-01-01

    The absorption spectra of impurity vanadium ions in forsterite crystals are studied in the wavelength range from 600 to 2000 nm. It is found that the V 4+ ion in the tetrahedral coordination in crystals grown by the Czochralski technique exhibits strong absorption in the range from 600 to 1200 nm. The intense electron-vibrational progressions in the absorption spectra of impurity d-ions in crystals were observed for the first time at temperatures 300 and 77 K. In the authors' opinion, these progressions appear due to the formation of the oxovanadate complex and distortions of the structural tetrahedron. The forsterite crystal doped with V 4+ ions has a very high absorption cross section (up to 2.1x10 -18 cm 2 ) and a continuous broad absorption band, which makes this crystal promising as a passive laser switch in the range between 600 and 1200 nm. At the same time, the V 4+ ions in the forsterite crystal do not emit luminescence because of a high probability of the nonradiative relaxation of their excited state. It is shown that luminescence of a V:Mg 2 SiO 4 crystal is related to the tetrahedral V 3+ ion. (laser applications and other topics in quantum electronics)

  13. Economic choices reveal probability distortion in macaque monkeys.

    Science.gov (United States)

    Stauffer, William R; Lak, Armin; Bossaerts, Peter; Schultz, Wolfram

    2015-02-18

    Economic choices are largely determined by two principal elements, reward value (utility) and probability. Although nonlinear utility functions have been acknowledged for centuries, nonlinear probability weighting (probability distortion) was only recently recognized as a ubiquitous aspect of real-world choice behavior. Even when outcome probabilities are known and acknowledged, human decision makers often overweight low probability outcomes and underweight high probability outcomes. Whereas recent studies measured utility functions and their corresponding neural correlates in monkeys, it is not known whether monkeys distort probability in a manner similar to humans. Therefore, we investigated economic choices in macaque monkeys for evidence of probability distortion. We trained two monkeys to predict reward from probabilistic gambles with constant outcome values (0.5 ml or nothing). The probability of winning was conveyed using explicit visual cues (sector stimuli). Choices between the gambles revealed that the monkeys used the explicit probability information to make meaningful decisions. Using these cues, we measured probability distortion from choices between the gambles and safe rewards. Parametric modeling of the choices revealed classic probability weighting functions with inverted-S shape. Therefore, the animals overweighted low probability rewards and underweighted high probability rewards. Empirical investigation of the behavior verified that the choices were best explained by a combination of nonlinear value and nonlinear probability distortion. Together, these results suggest that probability distortion may reflect evolutionarily preserved neuronal processing. Copyright © 2015 Stauffer et al.

  14. Distortion definition and correction in off-axis systems

    Science.gov (United States)

    Da Deppo, Vania; Simioni, Emanuele; Naletto, Giampiero; Cremonese, Gabriele

    2015-09-01

    Off-axis optical configurations are becoming more and more used in a variety of applications, in particular they are the most preferred solution for cameras devoted to Solar System planets and small bodies (i.e. asteroids and comets) study. Off-axis designs, being devoid of central obstruction, are able to guarantee better PSF and MTF performance, and thus higher contrast imaging capabilities with respect to classical on-axis designs. In particular they are suitable for observing extended targets with intrinsic low contrast features, or scenes where a high dynamical signal range is present. Classical distortion theory is able to well describe the performance of the on-axis systems, but it has to be adapted for the off-axis case. A proper way to deal with off-axis distortion definition is thus needed together with dedicated techniques to accurately measure and hence remove the distortion effects present in the acquired images. In this paper, a review of the distortion definition for off-axis systems will be given. In particular the method adopted by the authors to deal with the distortion related issues (definition, measure, removal) in some off-axis instruments will be described in detail.

  15. Crystal structure of dilead(II oxochromate(VI oxotellurate(IV

    Directory of Open Access Journals (Sweden)

    Matthias Weil

    2017-06-01

    Full Text Available Reaction of chromium(III precursors with TeO2 in PbF2/PbO melts in air led to oxidation of chromium(III to chromium(VI, whereas tellurium remained its oxidation state of IV. In the resulting title compound, Pb2(CrO4(TeO3, the two types of anions are isolated from each other, hence a double salt is formed. The two independent Pb2+ cations exhibit coordination number nine under formation of very distorted coordination polyhedra [bond-length range = 2.363 (6–3.276 (7 Å]. The oxochromate(VI and oxotellurate(IV anions have tetrahedral and trigonal–pyramidal configurations, respectively. In the crystal structure, (001 layers of metal cations alternate with layers of TeO32− and CrO42− anions along [001], forming a three-dimensional framework structure. Pb2(CrO4(TeO3 is isotypic with its sulfate analogue Pb2(SO4(TeO3 and is comparatively discussed.

  16. Crystal structure of an unknown solvate of bis(tetra-n-butylammonium [N,N′-(4-trifluoromethyl-1,2-phenylenebis(oxamato-κ4O,N,N′,O′]nickelate(II

    Directory of Open Access Journals (Sweden)

    François Eya'ane Meva

    2015-06-01

    Full Text Available In the title compound, [N(C4H94]2[Ni(C11H3F3N2O6] or [N(n-Bu4]2[Ni(topbo] [n-Bu = n-butyl and topbo = 4-trifluoromethyl-1,2-phenylenebis(oxamate], the Ni2+ cation is coordinated by two deprotonated amido N atoms and two carboxylate O atoms, setting up a slightly distorted square-planar coordination environment. The [Ni(topbo]2− anion lies on a twofold rotation axis. Due to an incompatibility with the point-group symmetry of the complete molecule, orientational disorder of the CF3 group is observed. The tetrahedral ammonium cations and the anion are linked by weak intermolecular C—H...O and C—H...F hydrogen-bonding interactions into a three-dimensional network. A region of electron density was treated with the SQUEEZE procedure in PLATON [Spek (2015. Acta Cryst. C71, 9–18] following unsuccessful attempts to model it as plausible solvent molecule(s. The given chemical formula and other crystal data do not take into account the unknown solvent molecule.

  17. Word Recognition for Temporally and Spectrally Distorted Materials

    DEFF Research Database (Denmark)

    Smith, Sherri L.; Pichora-Fuller, Margaret Kathleen; Wilson, Richard H.

    2012-01-01

    listeners with near-normal hearing and hearing loss performed best in the unaltered condition, followed by the jitter and smear conditions, with the poorest performance in the combined jitter-smear condition in both quiet and noise. Overall, listeners with near-normal hearing performed better than listeners...... to predict group differences, but not the effects of distortion. Individual differences in performance were similar across all distortion conditions with both age and hearing loss being implicated. The speech materials needed to be both spectrally and temporally distorted to mimic the effects of age...

  18. Rate-distortion theory and human perception.

    Science.gov (United States)

    Sims, Chris R

    2016-07-01

    The fundamental goal of perception is to aid in the achievement of behavioral objectives. This requires extracting and communicating useful information from noisy and uncertain sensory signals. At the same time, given the complexity of sensory information and the limitations of biological information processing, it is necessary that some information must be lost or discarded in the act of perception. Under these circumstances, what constitutes an 'optimal' perceptual system? This paper describes the mathematical framework of rate-distortion theory as the optimal solution to the problem of minimizing the costs of perceptual error subject to strong constraints on the ability to communicate or transmit information. Rate-distortion theory offers a general and principled theoretical framework for developing computational-level models of human perception (Marr, 1982). Models developed in this framework are capable of producing quantitatively precise explanations for human perceptual performance, while yielding new insights regarding the nature and goals of perception. This paper demonstrates the application of rate-distortion theory to two benchmark domains where capacity limits are especially salient in human perception: discrete categorization of stimuli (also known as absolute identification) and visual working memory. A software package written for the R statistical programming language is described that aids in the development of models based on rate-distortion theory. Copyright © 2016 The Author. Published by Elsevier B.V. All rights reserved.

  19. The role of visual similarity and memory in body model distortions.

    Science.gov (United States)

    Saulton, Aurelie; Longo, Matthew R; Wong, Hong Yu; Bülthoff, Heinrich H; de la Rosa, Stephan

    2016-02-01

    Several studies have shown that the perception of one's own hand size is distorted in proprioceptive localization tasks. It has been suggested that those distortions mirror somatosensory anisotropies. Recent research suggests that non-corporeal items also show some spatial distortions. In order to investigate the psychological processes underlying the localization task, we investigated the influences of visual similarity and memory on distortions observed on corporeal and non-corporeal items. In experiment 1, participants indicated the location of landmarks on: their own hand, a rubber hand (rated as most similar to the real hand), and a rake (rated as least similar to the real hand). Results show no significant differences between rake and rubber hand distortions but both items were significantly less distorted than the hand. Experiments 2 and 3 explored the role of memory in spatial distance judgments of the hand, the rake and the rubber hand. Spatial representations of items measured in experiments 2 and 3 were also distorted but showed the tendency to be smaller than in localization tasks. While memory and visual similarity seem to contribute to explain qualitative similarities in distortions between the hand and non-corporeal items, those factors cannot explain the larger magnitude observed in hand distortions. Copyright © 2015. Published by Elsevier B.V.

  20. An insight into the local O{sub h} {yields}T{sub d} instability in BaF{sub 2}:Mn{sup 2+}

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Fernandez, P; Aramburu, J A; Barriuso, M T; Moreno, M, E-mail: morenom@unican.e

    2010-11-01

    While most complexes in fluorite-type lattices (CaF{sub 2}, SrF{sub 2}, CdF{sub 2}) containing Mn{sup 2+} impurities remain cubic at all temperatures, electron paramagnetic resonance (EPR) measurements have shown that the one in BaF{sub 2} is tetrahedral below 50K. This surprising behaviour is intrinsic to the centre and not associated to any close defect or pure lattice phase-transition. Through the use of density functional (DFT) calculations we show that the distortion is linked to the unexpected low force constant along the tetrahedral distortion mode with a{sub 2u} symmetry in these complexes and the large metal-ligand distance existing in BaF{sub 2}:Mn{sup 2+}. Ultimately, these facts reflect that, for substitutional impurities in fluorite-type crystals, the ligand-ligand interaction is dominant over the metal-ligand one.

  1. Fisheye image rectification using spherical and digital distortion models

    Science.gov (United States)

    Li, Xin; Pi, Yingdong; Jia, Yanling; Yang, Yuhui; Chen, Zhiyong; Hou, Wenguang

    2018-02-01

    Fisheye cameras have been widely used in many applications including close range visual navigation and observation and cyber city reconstruction because its field of view is much larger than that of a common pinhole camera. This means that a fisheye camera can capture more information than a pinhole camera in the same scenario. However, the fisheye image contains serious distortion, which may cause trouble for human observers in recognizing the objects within. Therefore, in most practical applications, the fisheye image should be rectified to a pinhole perspective projection image to conform to human cognitive habits. The traditional mathematical model-based methods cannot effectively remove the distortion, but the digital distortion model can reduce the image resolution to some extent. Considering these defects, this paper proposes a new method that combines the physical spherical model and the digital distortion model. The distortion of fisheye images can be effectively removed according to the proposed approach. Many experiments validate its feasibility and effectiveness.

  2. The architecture of metal coordination groups in proteins.

    Science.gov (United States)

    Harding, Marjorie M

    2004-05-01

    A set of tables is presented and a survey given of the architecture of metal coordination groups in a representative set of protein structures from the Protein Data Bank [Bernstein et al. (1977), J. Mol. Biol. 112, 535-542; Berman et al. (2000), Nucleic Acids Res. 28, 235-242]. The structures have been determined to a resolution of 2.5 A or better; the metals considered are Ca, Mg, Mn, Fe, Cu, Zn, Na and K, with particular emphasis on Ca and Zn and the exclusion of haem groups and Fe/S clusters; the proteins are a representative set in which none has more than 30% sequence identity with any other. In them the metal is coordinated by several donor groups from different amino-acid residues in the protein chain and often also by water or other small molecules. The tables, for approximately 600 metal coordination groups, include information on the conformations of the protein chain in the region around the metal and reliability indicators. They illustrate the wide variety of coordination numbers, chelate-loop sizes and other properties and the different characteristics of different metals. They show that glycine has a particular significance in the position adjacent to a donor residue, especially in Ca coordination groups. They also show that metal coordination does not appear to lead to significant distortions of the torsion angles phi, psi from their normally allowed values. Very few metal coordination groups occur more than once in the representative set and when they do they are usually related in fold and function; they have similar but not necessarily identical conformations. However, individual chelate loops, for example Zn(-C-X-X'-C-), in which both cysteines are coordinated to Zn through S, and X and X' are any amino acids, are repeated frequently in many different and unrelated proteins. Not all chelate loops with the same composition have the same conformation, but for smaller loops there are usually one or two strongly preferred and well defined

  3. Distortions in the output signals of conventional spectrum analyzers

    International Nuclear Information System (INIS)

    Njau, E.C.

    1988-08-01

    We show that the output signals of conventional spectrum analysers contain distortions which basically originate from the signal processing performed inside the analysers' frequency convertors. Total elimination of these distortions through normal filtering techniques is difficult owing to the closeness of some of their frequencies to the corresponding frequencies of the required signals. Simple design adjustments that can minimize these distortions are suggested. (author). 7 refs, 2 figs

  4. Appraisal Distortions and Intimate Partner Violence: Gender, Power, and Interaction

    Science.gov (United States)

    Whiting, Jason B.; Oka, Megan; Fife, Stephen T.

    2012-01-01

    In relationships characterized by control, abuse, or violence, many appraisal distortions occur including denial and minimization. However, the nature of the distortion varies depending on the individual's role in the relationship (i.e., abuser or victim). Reducing these distortions is an important component in treatment success and involves…

  5. Evidence of two-channel distortion effects in positronium formation reactions

    International Nuclear Information System (INIS)

    Macri, P A; Miraglia, J E; Hanssen, J; Fojon, O A; Rivarola, R D

    2004-01-01

    The formation of ground-state positronium in collisions of positrons on hydrogen-like atoms is considered. In previous theoretical works, two-centre distorted wavefunctions were employed to approximate either the initial or the final channel. Here we report results obtained by means of the eikonal final state continuum distorted wave approximation for which asymptotically correct distorted wavefunctions are used for both the initial and final states of the scattering system. Comparison of the present theoretical total cross sections with experimental data reveals that distortion effects become important in both channels as the impact energy decreases. This work also shows that distorted-wave theories may be extended from their usual domain of high impact energies to lower ones. (letter to the editor)

  6. Evidence of two-channel distortion effects in positronium formation reactions

    Energy Technology Data Exchange (ETDEWEB)

    Macri, P A [Instituto de AstronomIa y FIsica del Espacio, Consejo Nacional de Investigaciones CientIficas y Tecnicas-Universidad de Buenos Aires, Casilla de Correo 67, Suc. 28, 1428 Buenos Aires (Argentina); Miraglia, J E [Instituto de AstronomIa y FIsica del Espacio, Consejo Nacional de Investigaciones CientIficas y Tecnicas-Universidad de Buenos Aires, Casilla de Correo 67, Suc. 28, 1428 Buenos Aires (Argentina); Hanssen, J [Laboratoire de Physique Moleculaire et des Collisions, Institute de Physique Rue Arago, Tecnopole 2000, Metz (France); Fojon, O A [Instituto de FIsica de Rosario, Consejo Nacional de Investigaciones CientIficas y Tecnicas-Universidad Nacional de Rosario, Av. Pellegrini 250, 2000 Rosario (Argentina); Rivarola, R D [Instituto de FIsica de Rosario, Consejo Nacional de Investigaciones CientIficas y Tecnicas-Universidad Nacional de Rosario, Av. Pellegrini 250, 2000 Rosario (Argentina)

    2004-03-28

    The formation of ground-state positronium in collisions of positrons on hydrogen-like atoms is considered. In previous theoretical works, two-centre distorted wavefunctions were employed to approximate either the initial or the final channel. Here we report results obtained by means of the eikonal final state continuum distorted wave approximation for which asymptotically correct distorted wavefunctions are used for both the initial and final states of the scattering system. Comparison of the present theoretical total cross sections with experimental data reveals that distortion effects become important in both channels as the impact energy decreases. This work also shows that distorted-wave theories may be extended from their usual domain of high impact energies to lower ones. (letter to the editor)

  7. Testing inflation and curvaton scenarios with CMB distortions

    International Nuclear Information System (INIS)

    Clesse, Sébastien; Garbrecht, Björn; Zhu, Yi

    2014-01-01

    Prior to recombination, Silk damping causes the dissipation of energy from acoustic waves into the monopole of the Cosmic Microwave Background (CMB), resulting in spectral distortions. These can be used to probe the primordial scalar power spectrum on smaller scales than it is possible with CMB anisotropies. An enhancement of power on these scales is nevertheless required for the resulting distortions to be detectable by future experiments like PIXIE. In this paper, we examine all 49 single-field inflation models listed by Martin et al. in the Encyclopaedia Inflationaris [1] and find that only one of these may lead to a detectable level of distortions in a tuned region of its parameter space, namely the original hybrid model. Three effective multi-field scenarios are also studied: with softly and suddenly turning trajectories, and with a mild waterfall trajectory. Softly turning trajectories do not induce distortions at any detectable level, whereas a sudden turn in the field space or a mild waterfall trajectory predicts a peak (plus damped oscillations in the sudden turn case) in the scalar power spectrum, which can lead to an observable amount of CMB distortions. Finally, another scenario leading to potentially detectable distortions involves a curvaton whose blue spectrum is subdominant on CMB angular scales and overtakes the inflaton spectrum on smaller scales. In this case however, we show that the bounds from ultra compact minihaloes are not satisfied. Expectations for an ultimate PRISM-class experiment characterized by an improvement in sensitivity by a factor of ten are discussed for some models

  8. Testing inflation and curvaton scenarios with CMB distortions

    Science.gov (United States)

    Clesse, Sébastien; Garbrecht, Björn; Zhu, Yi

    2014-10-01

    Prior to recombination, Silk damping causes the dissipation of energy from acoustic waves into the monopole of the Cosmic Microwave Background (CMB), resulting in spectral distortions. These can be used to probe the primordial scalar power spectrum on smaller scales than it is possible with CMB anisotropies. An enhancement of power on these scales is nevertheless required for the resulting distortions to be detectable by future experiments like PIXIE. In this paper, we examine all 49 single-field inflation models listed by Martin et al. in the Encyclopaedia Inflationaris [1] and find that only one of these may lead to a detectable level of distortions in a tuned region of its parameter space, namely the original hybrid model. Three effective multi-field scenarios are also studied: with softly and suddenly turning trajectories, and with a mild waterfall trajectory. Softly turning trajectories do not induce distortions at any detectable level, whereas a sudden turn in the field space or a mild waterfall trajectory predicts a peak (plus damped oscillations in the sudden turn case) in the scalar power spectrum, which can lead to an observable amount of CMB distortions. Finally, another scenario leading to potentially detectable distortions involves a curvaton whose blue spectrum is subdominant on CMB angular scales and overtakes the inflaton spectrum on smaller scales. In this case however, we show that the bounds from ultra compact minihaloes are not satisfied. Expectations for an ultimate PRISM-class experiment characterized by an improvement in sensitivity by a factor of ten are discussed for some models.

  9. Research on Supply Chain Coordination and Profit Allocation Based on Altruistic Principal under Bilateral Asymmetric Information

    Directory of Open Access Journals (Sweden)

    Shuiliang Gu

    2018-01-01

    Full Text Available To ensure supply chain coordination and equitable profit allocation when there is bilateral asymmetric information, a supply chain consisting of one manufacturer with private manufacturing cost information and one retailer with private selling cost information is considered. A bilateral adverse selection model is established with a virtual altruistic principal as the coordination subject, for which the supply chain coordination conditions and an allocation rule for the supply chain surplus are then given. It was found that contract coordination depended on the costs and risk rates of both parties and market demand; that is, the lower the costs and the risk rate, the easier the supply chain coordination. Second, the trading volume distortion degree was positively correlated with production cost, sales cost, and price sensitivity and negatively correlated with the market environment parameter. Third, the allocation proportion for the supply chain surplus was determined. Finally, under a specific cost distribution assumption, a numerical example was given to simulate the contract execution and analyze the relationships between costs and profit.

  10. 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.

  11. Distortion-Based Link Adaptation for Wireless Video Transmission

    Directory of Open Access Journals (Sweden)

    Andrew Nix

    2008-06-01

    Full Text Available Wireless local area networks (WLANs such as IEEE 802.11a/g utilise numerous transmission modes, each providing different throughputs and reliability levels. Most link adaptation algorithms proposed in the literature (i maximise the error-free data throughput, (ii do not take into account the content of the data stream, and (iii rely strongly on the use of ARQ. Low-latency applications, such as real-time video transmission, do not permit large numbers of retransmission. In this paper, a novel link adaptation scheme is presented that improves the quality of service (QoS for video transmission. Rather than maximising the error-free throughput, our scheme minimises the video distortion of the received sequence. With the use of simple and local rate distortion measures and end-to-end distortion models at the video encoder, the proposed scheme estimates the received video distortion at the current transmission rate, as well as on the adjacent lower and higher rates. This allows the system to select the link-speed which offers the lowest distortion and to adapt to the channel conditions. Simulation results are presented using the MPEG-4/AVC H.264 video compression standard over IEEE 802.11g. The results show that the proposed system closely follows the optimum theoretic solution.

  12. Model studies of the Cu(B) site of cytochrome c oxidase utilizing a Zn(II) complex containing an imidazole-phenol cross-linked ligand.

    Science.gov (United States)

    Pesavento, Russell P; Pratt, Derek A; Jeffers, Jerry; van der Donk, Wilfred A

    2006-07-21

    Cytochrome c oxidase, the enzyme complex responsible for the four-electron reduction of O2 to H2O, contains an unusual histidine-tyrosine cross-link in its bimetallic heme a3-CuB active site. We have synthesised an unhindered, tripodal chelating ligand, BPAIP, containing the unusual ortho-imidazole-phenol linkage, which mimics the coordination environment of the CuB center. The ligand was used to investigate the physicochemical (pKa, oxidation potential) and coordination properties of the imidazole-phenol linkage when bound to a dication. Zn(II) coordination lowers the pKa of the phenol by 0.6 log units, and increases the potential of the phenolate/phenoxyl radical couple by approximately 50 mV. These results are consistent with inductive withdrawal of electron density from the phenolic ring. Spectroscopic data and theoretical calculations (DFT) were used to establish that the cationic complex [Zn(BPAIP)Br]+ has an axially distorted trigonal bipyramidal structure, with three coordinating nitrogen ligands (two pyridine and one imidazole) occupying the equatorial plane and the bromide and the tertiary amine nitrogen of the tripod in the axial positions. Interestingly, the Zn-Namine bonding interaction is weak or absent in [Zn(BPAIP)Br]+ and the complex gains stability in basic solutions, as indicated by 1H NMR spectroscopy. These observations are supported by theoretical calculations (DFT), which suggest that the electron-donating capacity of the equatorial imidazole ligand can be varied by modulation of the protonation and/or redox state of the cross-linked phenol. Deprotonation of the phenol makes the equatorial imidazole a stronger sigma-donor, resulting in an increased Zn-Nimd interaction and thereby leading to distortion of the axial ligand axis toward a more tetrahedral geometry.

  13. Polyamorphism in tetrahedral substances: Similarities between silicon and ice

    Science.gov (United States)

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

    2015-07-01

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

  14. Crystal structures of bis(cyanido)bis(N,N Prime -diethylthiourea-{kappa}S) mercury(II) and bis(cyanido)bis(N,N Prime -dipropylthiourea-{kappa}S) mercury(II)

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Saeed, E-mail: saeed_a786@hotmail.com; Sadaf, Haseeba [University of Engineering and Technology, Department of Chemistry (Pakistan); Altaf, Muhammad; Stoeckli-Evans, Helen [University of Neuchatel, Institute of Physics (Switzerland); Seerat-ur-Rehman [University of Engineering and Technology, Department of Chemistry (Pakistan); Bashir, Sarfaraz Ahmed [Government College Asghar Mall, Department of Chemistry (Pakistan)

    2013-09-15

    Two mercury(II) complexes containing cyanide and, N,N Prime -diethylthiourea (detu) and N,N Prime -dipropylthiourea (dprtu) ligands, [(detu){sub 2}Hg(CN){sub 2}] (1) and [(dprtu){sub 2}Hg(CN){sub 2}] (2), respectively, have been prepared and characterized by X-ray crystallography. In the both complexes Hg atom lies on a 2-fold rotation axis, and is coordinated to the sulfur atoms of two thiourea ligands and to two cyanide carbon atoms. Both have a distorted tetrahedral environment with bond angles about the Hg atoms in the range of 93.41(4) Degree-Sign -146.75(19) Degree-Sign . In the crystal structures symmetry related molecules are linked via N-H-N hydrogen bonds resulting in the formation of a two-dimensional network in 1, while in 2 a double stranded one-dimensional chain is formed.

  15. Poly[bis(μ2-5-n-butyltetrazolato-κ2N1:N4zinc(II

    Directory of Open Access Journals (Sweden)

    Xiao-Lan Tong

    2008-01-01

    Full Text Available In the title complex, [Zn(C5H9N42]n, the ZnII center is coordinated by four N atoms of different tetrazolate ligands with a slightly distorted tetrahedral geometry [Zn—N distances and N—Zn—N angles are in the ranges 1.991 (2–2.007 (2 Å and 104.22 (8–116.13 (8°, respectively]. Each ligand links two ZnII atoms through its 1- and 4-position tetrazole N atoms, forming a single, fully connected three-dimensional framework with a diamond-like topology. In the crystal structure, the Zn...Zn separations across each tetrazole unit are 6.115 (2 and 6.134 (2 Å and the Zn...Zn...Zn angles are in the range 107.77 (8–116.83 (8°.

  16. Effects Of Field Distortions In Ih-apf Linac

    CERN Document Server

    Kapin, Valery; Yamada, S

    2004-01-01

    The project on developing compact medical accelera-tors for the tumor therapy using carbon ions has been started at the National Institute of Radiological Sciences (NIRS). Alternating-phase-focused (APF) linac using an interdigital H-mode (IH) cavity has been proposed for the injector linac. The IH-cavity is doubly ridged circular resonator loaded by the drift-tubes mounted on ridges with supporting stems. The effects of intrinsic and random field distortions in a practical design of the 4-MeV/u 200 MHz IH-APF linac are considered. The intrinsic field distortions in IH-cavity are caused by the asymmetry of the gap field due to presence of the drift-tube supporting stems and pair of ridges. The random field distortions are caused by drift-tube misalignments and non-regular deviations of the voltage distribution from programmed law. The RF fields in IH-cavity have been calculated using Microwave Studio (MWS) code. The effects of field distortions on beam dynamics have been simulated numerically.

  17. Spectral, biological screening of metal chelates of chalcone based Schiff bases of N-(3-aminopropyl) imidazole.

    Science.gov (United States)

    Kalanithi, M; Rajarajan, M; Tharmaraj, P; Sheela, C D

    2012-02-15

    Tridentate chelate complexes of Co(II), Ni(II), Cu(II) and Zn(II) have been synthesized from the chalcone based ligands 2-[1-(3-(1H-imidazol-1-yl)propylimino)-3-(phenylallyl)]phenol(HL(1)), 2-[1-(3-(1H-imidazol-1-yl)propylimino)-3-p-tolylallyl]phenol(HL(2)), 2-[1-(3-(1H-imidazol-1-yl)propylimino)-3-4-nitrophenylallyl]phenol(HL(3)). Microanalytical data, UV-vis spectrophotometric method, magnetic susceptibility measurements, IR, 1H NMR, Mass, and EPR techniques were used to characterize the structure of chelates. The electronic absorption spectra and magnetic susceptibility measurements suggest a distorted square planar geometry for the copper(II) ion. The other metal complexes show distorted tetrahedral geometry. The coordination of the ligands with metal(II) ions was further confirmed by solution fluorescence spectrum. The antimicrobial activity of the ligands and metal(II) complexes against the species Pseudomonas aeruginosa, Escherichia coli, Staphylococcus aureus, Bacillus subtilis, Candida albigans and Aspergillus niger has been carried out and compared. The electrochemical behavior of copper(II) complex is studied by cyclic voltammetry. Copyright © 2011 Elsevier B.V. All rights reserved.

  18. Expertise and processing distorted structure in chess.

    Science.gov (United States)

    Bartlett, James C; Boggan, Amy L; Krawczyk, Daniel C

    2013-01-01

    A classic finding in research on human expertise and knowledge is that of enhanced memory for stimuli in a domain of expertise as compared to either stimuli outside that domain, or within-domain stimuli that have been degraded or distorted in some way. However, we do not understand how experts process degradation or distortion of stimuli within the expert domain (e.g., a face with the eyes, nose, and mouth in the wrong positions, or a chessboard with pieces placed randomly). Focusing on the domain of chess, we present new fMRI evidence that when experts view such distorted/within-domain stimuli, they engage an active search for structure-a kind of exploratory chunking-that involves a component of a prefrontal-parietal network linked to consciousness, attention and working memory.

  19. Could unstable relic particles distort the microwave background radiation?

    International Nuclear Information System (INIS)

    Dar, A.; Loeb, A.; Nussinov, S.

    1989-01-01

    Three general classes of possible scenarios for the recently reported distortion of the microwave background radiation (MBR) via decaying relic weakly interacting particles are analyzed. The analysis shows that such particles could not reheat the universe and cause the spectral distortion of the MBR. Gravitational processes such as the early formation of massive black holes may still be plausible energy sources for producing the reported spectral distortion of the MBR at an early cosmological epoch. 24 references

  20. Anisotropic extinction distortion of the galaxy correlation function

    International Nuclear Information System (INIS)

    Fang Wenjuan; Hui Lam; Menard, Brice; May, Morgan; Scranton, Ryan

    2011-01-01

    Similar to the magnification of the galaxies' fluxes by gravitational lensing, the extinction of the fluxes by comic dust, whose existence is recently detected by [B. Menard, R. Scranton, M. Fukugita, and G. Richards, Mon. Not. R. Astron. Soc. 405, 1025 (2010).], also modifies the distribution of a flux-selected galaxy sample. We study the anisotropic distortion by dust extinction to the 3D galaxy correlation function, including magnification bias and redshift distortion at the same time. We find the extinction distortion is most significant along the line of sight and at large separations, similar to that by magnification bias. The correction from dust extinction is negative except at sufficiently large transverse separations, which is almost always opposite to that from magnification bias (we consider a number count slope s>0.4). Hence, the distortions from these two effects tend to reduce each other. At low z (< or approx. 1), the distortion by extinction is stronger than that by magnification bias, but at high z, the reverse holds. We also study how dust extinction affects probes in real space of the baryon acoustic oscillations (BAO) and the linear redshift distortion parameter β. We find its effect on BAO is negligible. However, it introduces a positive scale-dependent correction to β that can be as large as a few percent. At the same time, we also find a negative scale-dependent correction from magnification bias, which is up to percent level at low z, but to ∼40% at high z. These corrections are non-negligible for precision cosmology, and should be considered when testing General Relativity through the scale-dependence of β.

  1. Nd4Cu2O7: A copper(I) oxide with a novel cooperatively distorted T' type structure

    International Nuclear Information System (INIS)

    Pederzolli, D.R.; Attfield, J.P.

    1998-01-01

    The crystal structure of Nd 4 Cu 2 O 7 (monoclinic, space group A2/m, a = 8.4493(2) angstrom, b = 3.7591(1) angstrom, C = 12.6006(5) angstrom, β = 109.576(4)degree, Z = 2) prepared by topotactic reduction of the high-T c superconductor parent phase Nd 2 CuO 4 , has been determined by Rietveld fitting of time-of-flight neutron powder diffraction data (R wp = 1.90%). A novel oxygen-vacancy-ordered arrangement of cooperatively distorted Cu 2 O 3 planes containing 2- and 4-coordinate Cu + sites is found

  2. Characterization, prediction, and correction of geometric distortion in 3 T MR images

    International Nuclear Information System (INIS)

    Baldwin, Lesley N.; Wachowicz, Keith; Thomas, Steven D.; Rivest, Ryan; Gino Fallone, B.

    2007-01-01

    The work presented herein describes our methods and results for predicting, measuring and correcting geometric distortions in a 3 T clinical magnetic resonance (MR) scanner for the purpose of image guidance in radiation treatment planning. Geometric inaccuracies due to both inhomogeneities in the background field and nonlinearities in the applied gradients were easily visualized on the MR images of a regularly structured three-dimensional (3D) grid phantom. From a computed tomography scan, the locations of just under 10 000 control points within the phantom were accurately determined in three dimensions using a MATLAB-based computer program. MR distortion was then determined by measuring the corresponding locations of the control points when the phantom was imaged using the MR scanner. Using a reversed gradient method, distortions due to gradient nonlinearities were separated from distortions due to inhomogeneities in the background B 0 field. Because the various sources of machine-related distortions can be individually characterized, distortions present in other imaging sequences (for which 3D distortion cannot accurately be measured using phantom methods) can be predicted negating the need for individual distortion calculation for a variety of other imaging sequences. Distortions were found to be primarily caused by gradient nonlinearities and maximum image distortions were reported to be less than those previously found by other researchers at 1.5 T. Finally, the image slices were corrected for distortion in order to provide geometrically accurate phantom images

  3. Carrier Distortion in Hysteretic Self-Oscillating Class-D Audio Power

    DEFF Research Database (Denmark)

    Høyerby, Mikkel Christian Kofod; Andersen, Michael A. E.

    2009-01-01

    An important distortion mechanism in hysteretic self-oscillating (SO) class-D (switch mode) power amplifiers-–carrier distortion-–is analyzed and an optimization method is proposed. This mechanism is an issue in any power amplifier application where a high degree of proportionality between input...... and output is required, such as in audio power amplifiers or xDSL drivers. From an average-mode point of view, carrier distortion is shown to be caused by nonlinear variation of the hysteretic comparator input average voltage with the output average voltage. This easily causes total harmonic distortion...... figures in excess of 0.1–0.2%, inadequate for high-quality audio applications. Carrier distortion is shown to be minimized when the feedback system is designed to provide a triangular carrier (sliding) signal at the input of a hysteretic comparator. The proposed optimization method is experimentally...

  4. Li{sub 4}Ba[BN{sub 2}]{sub 2} - structure and vibrational spectra

    Energy Technology Data Exchange (ETDEWEB)

    Seidel, Stefan; Rodewald, Ute C.; Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany); Somer, Mehmet; Kiraz, Kamil [Chemistry Department, Koc University, Sariyer-Istanbul (Turkey)

    2017-12-13

    The nitridoborate Li{sub 4}Ba[BN{sub 2}]{sub 2} was synthesized from a 4:1 molar ratio of Li{sub 3}[BN]{sub 2} and Ba{sub 3}[BN{sub 2}]{sub 2} in an arc-welded niobium ampoule at a maximum annealing temperature of 1173 K. The structure was refined from single-crystal X-ray diffractometer data: new type, P1, a = 533.9(2), b = 585.0(3), c = 860.6(4) pm, α = 80.72(3), β = 73.84(6), γ = 89.87(4) , wR{sub 2} = 0.1196, 1429 F{sup 2} values, 50 variables. The Li{sub 4}Ba[BN{sub 2}]{sub 2} structure contains two crystallographically independent [BN{sub 2}]{sup 3-} units with 134 pm B-N distance, which are slightly bent: 178 for N2-B1-N1 and 175 for N4-B2-N3. Due to the high lithium content both [BN{sub 2}]{sup 3-} units have a strongly distorted coordination by 8Li{sup +} + 3Ba{sup 2+}. The four crystallographically independent lithium cations show distorted tetrahedral coordination by [BN{sub 2}]{sup 3-} units with Li-N distances ranging from 195 to 247 pm. IR and Raman spectra show the typical vibrations of the [BN{sub 2}] unit along with a well-resolved splitting of the ν({sup 10}B) and ν({sup 11}B) frequencies. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF A Zn(II COORDINATION POLYMER BASED ON 4,4’-BIPYRIDINE AND ACETATO

    Directory of Open Access Journals (Sweden)

    LI-HUA WANG

    2015-05-01

    Full Text Available A novel Zn(II coordination polymer, [Zn(bpy(acetato2]n (bpy = 4,4’-bipyridine, has been synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. The Zn(II coordination polymer is triclinic, space group P-1 with a = 8.046(3 Å, b = 9.161(3 Å, c = 10.663(3 Å, α = 109.769(4º, β = 99.966(5º, γ = 101.666(5º, V= 699.1(4 Å3, Z = 2, Dc = 1.614 mg·m-3, μ = 1.774 mm-1, F(000 = 348, and final R1 = 0.0541, ωR2 = 0.1605. X-ray diffraction analysis reveals that the Zn(II center is six-coordination with a N2O4 distorted octahedral coordination environment. The Zn(II complex forms 1D chain structure by the bridge of 4,4’-bipyridine and acetato.

  6. Improvement of vector compensation method for vehicle magnetic distortion field

    Energy Technology Data Exchange (ETDEWEB)

    Pang, Hongfeng, E-mail: panghongfeng@126.com; Zhang, Qi; Li, Ji; Luo, Shitu; Chen, Dixiang; Pan, Mengchun; Luo, Feilu

    2014-03-15

    Magnetic distortions such as eddy-current field and low frequency magnetic field have not been considered in vector compensation methods. A new compensation method is proposed to suppress these magnetic distortions and improve compensation performance, in which the magnetic distortions related to measurement vectors and time are considered. The experimental system mainly consists of a three-axis fluxgate magnetometer (DM-050), an underwater vehicle and a proton magnetometer, in which the scalar value of magnetic field is obtained with the proton magnetometer and considered to be the true value. Comparing with traditional compensation methods, experimental results show that the magnetic distortions can be further reduced by two times. After compensation, error intensity and RMS error are reduced from 11684.013 nT and 7794.604 nT to 16.219 nT and 5.907 nT respectively. It suggests an effective way to improve the compensation performance of magnetic distortions. - Highlights: • A new vector compensation method is proposed for vehicle magnetic distortion. • The proposed model not only includes magnetometer error but also considers magnetic distortion. • Compensation parameters are computed directly by solving nonlinear equations. • Compared with traditional methods, the proposed method is not related with rotation angle rate. • Error intensity and RMS error can be reduced to 1/2 of the error with traditional methods.

  7. Improvement of vector compensation method for vehicle magnetic distortion field

    International Nuclear Information System (INIS)

    Pang, Hongfeng; Zhang, Qi; Li, Ji; Luo, Shitu; Chen, Dixiang; Pan, Mengchun; Luo, Feilu

    2014-01-01

    Magnetic distortions such as eddy-current field and low frequency magnetic field have not been considered in vector compensation methods. A new compensation method is proposed to suppress these magnetic distortions and improve compensation performance, in which the magnetic distortions related to measurement vectors and time are considered. The experimental system mainly consists of a three-axis fluxgate magnetometer (DM-050), an underwater vehicle and a proton magnetometer, in which the scalar value of magnetic field is obtained with the proton magnetometer and considered to be the true value. Comparing with traditional compensation methods, experimental results show that the magnetic distortions can be further reduced by two times. After compensation, error intensity and RMS error are reduced from 11684.013 nT and 7794.604 nT to 16.219 nT and 5.907 nT respectively. It suggests an effective way to improve the compensation performance of magnetic distortions. - Highlights: • A new vector compensation method is proposed for vehicle magnetic distortion. • The proposed model not only includes magnetometer error but also considers magnetic distortion. • Compensation parameters are computed directly by solving nonlinear equations. • Compared with traditional methods, the proposed method is not related with rotation angle rate. • Error intensity and RMS error can be reduced to 1/2 of the error with traditional methods

  8. Market distortions and aggregate productivity: Evidence from Chinese energy enterprises

    International Nuclear Information System (INIS)

    Dai, Xiaoyong; Cheng, Liwei

    2016-01-01

    Market distortions can generate resource misallocations across heterogeneous firms and reduce aggregate productivity. This paper measures market distortions and aggregate productivity growth in China's energy sector. We use the wedge between output elasticities and factor shares in revenues to recover a measure of firm-level market distortions. Using data on a large sample of Chinese energy enterprises from 1999 to 2007, our estimations provide strong evidence of the existence of both factor and product market distortions within and across China's various energy industries. The productivity aggregation and decomposition results demonstrate that the estimated aggregate productivity growth (APG) is, on average, 2.595% points per year, of which technological change, resource reallocation, and firm entries and exits account for 1.981, 0.068, and 0.546% points, respectively. The weak contributions of resource reallocation and firm turnover to APG are also found in energy sub-industries, except in the coal industry. Our research suggests that China's energy sector has major potential for productivity gains from resource reallocation through the reduction of market distortions. - Highlights: •We estimate market distortions and productivity growth of China's energy sector. •We use a large sample of Chinese energy enterprises. •There are evidences of the existence of factor and product market distortions. •Aggregate productivity growth is largely driven by firm-level technological change. •China's energy sector can realize productivity gains from resource reallocations.

  9. Convergence of the Distorted Wave Born series

    International Nuclear Information System (INIS)

    MacMillan, D.S.

    1981-01-01

    The aim of this thesis is to begin to understand the idea of reaction mechanisms in nonrelativistic scattering systems. If we have a complete reaction theory of a particular scattering system, then we claim that the theory itself must contain information about important reaction mechanisms in the system. This information can be used to decide what reaction mechanisms should be included in an approximate calculation. To investigate this claim, we studied several solvable models. The primary concept employed in studying our models is the convergence of the multistep series generated by iterating the corresponding scattering integral equation. We known that the eigenvalues of the kernel of the Lippmann-Schwinger equation for potential scattering determine the rate of convergence of the Born series. The Born series will converge only if these eigenvalues all life within the unit circle. We extend these results to a study of the distorted wave Born series for inelastic scattering. The convergence criterion tells us when approximations are valid. We learn how the convergence of the distorted wave series depends upon energy, coupling constants, angular momentum, and angular momentum transfer. In one of our models, we look at several possible distorting potentials to see which one gives the best convergence. We have also applied our results to several actual DWBA or coupled channel calculations in the literature. In addition to the study of models of two-body scattering systems, we have considered the case of rearrangement scattering. We have discussed the formulation of (N greater than or equal to 3)-body distorted wave equations in which the interior dynamics have been redistributed by introducing compact N-body distortion potentials

  10. Forensic image analysis - CCTV distortion and artefacts.

    Science.gov (United States)

    Seckiner, Dilan; Mallett, Xanthé; Roux, Claude; Meuwly, Didier; Maynard, Philip

    2018-04-01

    As a result of the worldwide deployment of surveillance cameras, authorities have gained a powerful tool that captures footage of activities of people in public areas. Surveillance cameras allow continuous monitoring of the area and allow footage to be obtained for later use, if a criminal or other act of interest occurs. Following this, a forensic practitioner, or expert witness can be required to analyse the footage of the Person of Interest. The examination ultimately aims at evaluating the strength of evidence at source and activity levels. In this paper, both source and activity levels are inferred from the trace, obtained in the form of CCTV footage. The source level alludes to features observed within the anatomy and gait of an individual, whilst the activity level relates to activity undertaken by the individual within the footage. The strength of evidence depends on the value of the information recorded, where the activity level is robust, yet source level requires further development. It is therefore suggested that the camera and the associated distortions should be assessed first and foremost and, where possible, quantified, to determine the level of each type of distortion present within the footage. A review of the 'forensic image analysis' review is presented here. It will outline the image distortion types and detail the limitations of differing surveillance camera systems. The aim is to highlight various types of distortion present particularly from surveillance footage, as well as address gaps in current literature in relation to assessment of CCTV distortions in tandem with gait analysis. Future work will consider the anatomical assessment from surveillance footage. Copyright © 2018 Elsevier B.V. All rights reserved.

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

    Science.gov (United States)

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

    2018-05-01

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

  12. 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.

  13. Chlorine-induced assembly of a cationic coordination cage with a μ5-carbonato-bridged Mn(II)24 core.

    Science.gov (United States)

    Xiong, Ke-Cai; Jiang, Fei-Long; Gai, Yan-Li; Yuan, Da-Qiang; Han, Dong; Ma, Jie; Zhang, Shu-Quan; Hong, Mao-Chun

    2012-04-27

    Chlorine caged in! The chlorine-induced assembly of six shuttlecock-like tetranuclear Mn(II) building blocks generated in situ based on p-tert-butylthiacalix[4]arene and facial anions gave rise to a novel truncated distorted octahedral cationic coordination cage with a μ(5)-carbonato-bridged Mn(II)(24) core. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Helical Peierls distortion: Formation of helices of polyketone and polyisocyanide

    Science.gov (United States)

    Cui, Chang-Xing; Kertesz, Miklos

    1990-06-01

    A new type of Peierls-like distortion, the formation of a helix due to the existence of partially filled crossing bands, is reported for polyketone and polyisocyanide. The torsional potential curves, optimized geometries, band structures and phonon dispersion curves are derived. A comparison with the well-known Peierls-distorted all-trans polyacetylene indicates close similarity between the two types of Peierls distortions.

  15. Characterization of tissue magnetic susceptibility-induced distortions for MRIgRT

    International Nuclear Information System (INIS)

    Stanescu, T.; Wachowicz, K.; Jaffray, D. A.

    2012-01-01

    Purpose: MR image geometric integrity is one of the building blocks of MRI-guided radiotherapy. In particular, tissue magnetic susceptibility-induced effects are patient-dependent and their behavior is difficult to assess and predict. In this study, the authors investigated in detail the characteristics of susceptibility (χ) distortions in the context of MRIgRT, including the case of two common MR-linac system configurations. Methods: The magnetic field distortions were numerically simulated for several imaging parameters and anatomical sites, i.e., brain, lung, pelvis (with air pockets), and prostate. The simulation process consisted of (a) segmentation of patient CT data into susceptibility relevant anatomical volumes (i.e., soft-tissue, bone and air/lung), (b) conversion of CT data into susceptibility masks by assigning bulk χ values to the structures defined at (a), (c) numerical computations of the local magnetic fields by using a finite difference algorithm, and (d) generation of the geometric distortion maps from the magnetic field distributions. For each patient anatomy, the distortions were quantified at the interfaces of anatomical structures with significantly different χ values. The analysis was performed for two specific orientations of the external main magnetic field (B 0 ) characteristic to the MR-linac systems, specifically along the z-axis for a bore MR scanner and in the (x,y)-plane for a biplanner magnet. The magnetic field local perturbations were reported in ppm. The metrics used to quantify the geometric distortions were the maximum, mean, and range of distortions. The numerical simulation algorithm was validated using phantom data measurements. Results: Susceptibility-induced distortions were determined for both quadratic and patient specific geometries. The numerical simulations showed a good agreement with the experimental data. The measurements were acquired at 1.5 and 3 T and with an encoding gradient varying between 3 and 20 mT/m by

  16. Characterization of tissue magnetic susceptibility-induced distortions for MRIgRT.

    Science.gov (United States)

    Stanescu, T; Wachowicz, K; Jaffray, D A

    2012-12-01

    MR image geometric integrity is one of the building blocks of MRI-guided radiotherapy. In particular, tissue magnetic susceptibility-induced effects are patient-dependent and their behavior is difficult to assess and predict. In this study, the authors investigated in detail the characteristics of susceptibility (χ) distortions in the context of MRIgRT, including the case of two common MR-linac system configurations. The magnetic field distortions were numerically simulated for several imaging parameters and anatomical sites, i.e., brain, lung, pelvis (with air pockets), and prostate. The simulation process consisted of (a) segmentation of patient CT data into susceptibility relevant anatomical volumes (i.e., soft-tissue, bone and air∕lung), (b) conversion of CT data into susceptibility masks by assigning bulk χ values to the structures defined at (a), (c) numerical computations of the local magnetic fields by using a finite difference algorithm, and (d) generation of the geometric distortion maps from the magnetic field distributions. For each patient anatomy, the distortions were quantified at the interfaces of anatomical structures with significantly different χ values. The analysis was performed for two specific orientations of the external main magnetic field (B(0)) characteristic to the MR-linac systems, specifically along the z-axis for a bore MR scanner and in the (x,y)-plane for a biplanner magnet. The magnetic field local perturbations were reported in ppm. The metrics used to quantify the geometric distortions were the maximum, mean, and range of distortions. The numerical simulation algorithm was validated using phantom data measurements. Susceptibility-induced distortions were determined for both quadratic and patient specific geometries. The numerical simulations showed a good agreement with the experimental data. The measurements were acquired at 1.5 and 3 T and with an encoding gradient varying between 3 and 20 mT∕m by using an annular

  17. Identification of the iron oxidation state and coordination geometry in iron oxide- and zeolite-based catalysts using pre-edge XAS analysis.

    Science.gov (United States)

    Boubnov, Alexey; Lichtenberg, Henning; Mangold, Stefan; Grunwaldt, Jan Dierk

    2015-03-01

    Analysis of the oxidation state and coordination geometry using pre-edge analysis is attractive for heterogeneous catalysis and materials science, especially for in situ and time-resolved studies or highly diluted systems. In the present study, focus is laid on iron-based catalysts. First a systematic investigation of the pre-edge region of the Fe K-edge using staurolite, FePO4, FeO and α-Fe2O3 as reference compounds for tetrahedral Fe(2+), tetrahedral Fe(3+), octahedral Fe(2+) and octahedral Fe(3+), respectively, is reported. In particular, high-resolution and conventional X-ray absorption spectra are compared, considering that in heterogeneous catalysis and material science a compromise between high-quality spectroscopic data acquisition and simultaneous analysis of functional properties is required. Results, which were obtained from reference spectra acquired with different resolution and quality, demonstrate that this analysis is also applicable to conventionally recorded pre-edge data. For this purpose, subtraction of the edge onset is preferentially carried out using an arctangent and a first-degree polynomial, independent of the resolution and quality of the data. For both standard and high-resolution data, multiplet analysis of pre-edge features has limitations due to weak transitions that cannot be identified. On the other hand, an arbitrary empirical peak fitting assists the analysis in that non-local transitions can be isolated. The analysis of the oxidation state and coordination geometry of the Fe sites using a variogram-based method is shown to be effective for standard-resolution data and leads to the same results as for high-resolution spectra. This method, validated by analysing spectra of reference compounds and their well defined mixtures, is finally applied to track structural changes in a 1% Fe/Al2O3 and a 0.5% Fe/BEA zeolite catalyst during reduction in 5% H2/He. The results, hardly accessible by other techniques, show that Fe(3+) is

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  19. Carbonyltrichlorotris(dimethylphenylphosphine)technetium-ethanol (1/1), the first seven-coordinate complex of technetium; position of this molecule in the Csub(3v) family

    Energy Technology Data Exchange (ETDEWEB)

    Bandoli, G; Clemente, D A; Mazzi, U [Consiglio Nazionale delle Ricerche, Padua (Italy). Lab. di Chimica e Tecnologia dei Radioelementi

    1978-01-01

    The preparation and the crystal and molecular structure of the title complex are reported. The coordination polyhedron is that of a distorted capped octahedron Csub(3v) symmetry). The technetium atom is seven-coordnate and bonded to three phosphine ligands (capped face), three chlorine ligands (uncapped face), and to the carbonyl group, which occupies the unique capping position. Crystals are monoclinic, space group P2/sub 1//c, with cell dimensions a = 11.732(9), b = 11.807(9), c = 23.588(12) A, and ..beta..103.42(8)/sup 0/. The structure has been refined by least squares to a conventional R of 0.093 for 1 794 observed reflections. Metal-ligand bond lengths are: Tc-CO 1.86(2), Tc-C1 2.48(1). and Tc-p 2.44(1) A. Seven coordinate complexes are briefly reviewed: in particular, a description of Csub(3v) symmetry and its distortions has been developed in terms of repulsion theory and the angular-overlap model.

  20. Distorted representation in visual tourism research

    DEFF Research Database (Denmark)

    Jensen, Martin Trandberg

    2016-01-01

    how photographic materialities, performativities and sensations contribute to new tourism knowledges. While highlighting the potential of distorted representation, the paper posits a cautionary note in regards to the influential role of academic journals in determining the qualities of visual data....... The paper exemplifies distorted representation through three impressionistic tales derived from ethnographic research on the European rail travel phenomenon: interrail.......Tourism research has recently been informed by non-representational theories to highlight the socio-material, embodied and heterogeneous composition of tourist experiences. These advances have contributed to further reflexivity and called for novel ways to animate representations...

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

    International Nuclear Information System (INIS)

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

    1981-01-01

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

  2. Operation of static series compensator under distorted utility conditions

    DEFF Research Database (Denmark)

    Awad, H.; Nelsen, H.; Blaabjerg, Frede

    2005-01-01

    in the case of distorted grid voltage. Furthermore, a selective harmonic compensation strategy is applied to filter out the grid harmonics. The operation of the SSC under distorted utility conditions and voltage dips is discussed. The validity of the proposed controller is verified by experiments, carried out...... on a 10-kV SSC laboratory setup. Experimental results have shown the ability of the SSC to mitigate voltage dips and harmonics. It is also shown that the proposed controller has improved the transient performance of the SSC even under distorted utility conditions....

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

    DEFF Research Database (Denmark)

    Jensen, Jens

    2009-01-01

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

  4. Distorted Risk Measures with Application to Military Capability Shortfalls

    Science.gov (United States)

    2005-12-15

    effects of different distortions and to make basic recommendations regarding the appropriateness of certain distortion functions and parameters using...and increased limits ratemaking by proportional hazards transforms. Insurance: Mathematics and Economics, 17: 43-54. [9] Wang, S. (1996a). Premium

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-12-31

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

  6. Audible Aliasing Distortion in Digital Audio Synthesis

    Directory of Open Access Journals (Sweden)

    J. Schimmel

    2012-04-01

    Full Text Available This paper deals with aliasing distortion in digital audio signal synthesis of classic periodic waveforms with infinite Fourier series, for electronic musical instruments. When these waveforms are generated in the digital domain then the aliasing appears due to its unlimited bandwidth. There are several techniques for the synthesis of these signals that have been designed to avoid or reduce the aliasing distortion. However, these techniques have high computing demands. One can say that today's computers have enough computing power to use these methods. However, we have to realize that today’s computer-aided music production requires tens of multi-timbre voices generated simultaneously by software synthesizers and the most of the computing power must be reserved for hard-disc recording subsystem and real-time audio processing of many audio channels with a lot of audio effects. Trivially generated classic analog synthesizer waveforms are therefore still effective for sound synthesis. We cannot avoid the aliasing distortion but spectral components produced by the aliasing can be masked with harmonic components and thus made inaudible if sufficient oversampling ratio is used. This paper deals with the assessment of audible aliasing distortion with the help of a psychoacoustic model of simultaneous masking and compares the computing demands of trivial generation using oversampling with those of other methods.

  7. Bond-Valence Constraints on Liquid Water Structure

    International Nuclear Information System (INIS)

    Bickmore, Barry R.; Rosso, Kevin M.; Brown, I. David; Kerisit, Sebastien N.

    2009-01-01

    The recent controversy about the structure of liquid water pits a new model involving water molecules in relatively stable rings-and-chains structures against the standard model that posits water molecules in distorted tetrahedral coordination. Molecular dynamics (MD) simulations 'both classical and ab initio' almost uniformly support the standard model, but since none of them can yet reproduce all the anomalous properties of water, they leave room for doubt. We argue that it is possible to evaluate these simulations by testing them against their adherence to the bond-valence model, a well known, and quantitatively accurate, empirical summary of the behavior of atoms in the bonded networks of inorganic solids. Here we use the results of ab initio molecular dynamics simulations of ice, water, and several solvated aqueous species to show that the valence sum rule (the first axiom of the bond-valence model,) is followed in both solid and liquid bond networks. We then test MD simulations of water, employing several popular potential models, against this criterion and the experimental O-O radial distribution function. It appears that most of those tested cannot satisfy both criteria well, except TIP4P and TIP5P. If the valence sum rule really can be applied to simulated liquid structures, then it follows that the bonding behaviors of atoms in liquids are in some ways identical to those in solids. We support this interpretation by showing that the simulations produce O-H-O geometries completely consistent with the range of geometries available in solids, and the distributions of instantaneous valence sums reaching the atoms in both the ice and liquid water simulations are essentially identical. Taken together, this is powerful evidence in favor of the standard distorted tetrahedral model of liquid water structure

  8. Two dimensional spatial distortion correction algorithm for scintillation GAMMA cameras

    International Nuclear Information System (INIS)

    Chaney, R.; Gray, E.; Jih, F.; King, S.E.; Lim, C.B.

    1985-01-01

    Spatial distortion in an Anger gamma camera originates fundamentally from the discrete nature of scintillation light sampling with an array of PMT's. Historically digital distortion correction started with the method based on the distortion measurement by using 1-D slit pattern and the subsequent on-line bi-linear approximation with 64 x 64 look-up tables for X and Y. However, the X, Y distortions are inherently two-dimensional in nature, and thus the validity of this 1-D calibration method becomes questionable with the increasing distortion amplitude in association with the effort to get better spatial and energy resolutions. The authors have developed a new accurate 2-D correction algorithm. This method involves the steps of; data collection from 2-D orthogonal hole pattern, 2-D distortion vector measurement, 2-D Lagrangian polynomial interpolation, and transformation to X, Y ADC frame. The impact of numerical precision used in correction and the accuracy of bilinear approximation with varying look-up table size have been carefully examined through computer simulation by using measured single PMT light response function together with Anger positioning logic. Also the accuracy level of different order Lagrangian polynomial interpolations for correction table expansion from hole centroids were investigated. Detailed algorithm and computer simulation are presented along with camera test results

  9. Specific heat of Cr-based semimagnetic semiconductors

    NARCIS (Netherlands)

    Twardowski, A.; Eggenkamp, P.J.T.; Mac, W.; Swagten, H.J.M.; Demianiuk, M.

    1993-01-01

    Specific heat of ZnCrSe and ZnCrS was measured for 1.5 tetrahedral crystal field, tetragonal Jahn-Teller distortion and spin-orbit interaction.

  10. SYNTHESIS, CHARACTERIZATION AND ANTITUMOR ACTIVITY OF A Ca (II COORDINATION POLYMER BASED ON 3-AMINO-2-PYRAZINECARBOXYLIC ACID

    Directory of Open Access Journals (Sweden)

    XI-SHI TAI

    2015-10-01

    Full Text Available A new Ca(II coordination polymer has been obtained by reaction of Ca(ClO42·H2O with 3-amino-2-pyrazinecarboxylic acid in CH3CH2OH/H2O. It was characterized by IR, 1HNMR, thermal analysis and X-ray single crystal diffraction analysis. X-ray analysis reveals that each Ca(II center is seven-coordination with a N2O5 distorted pentagonal bipyramidal coordination environment. The Ca(II ions are linked through the O atoms of 3-amino-2-pyrazinecarboxylic acid ligands to form 1D chain structure. And then a 3D network structure is constructed by hydrogen bonds and π-π stacking. The antitumor activity of 3-amino-2-pyrazinecarboxylic acid ligand and its Ca(II coordination polymer against human intestinal adenocarcinoma HCT-8 cells, lung adenocarcinoma HCT-116 cells and human lung adenocarcinoma A549 cells line have been investigated.

  11. Motivational Distortion on 16 PF Primaries by Male Felons.

    Science.gov (United States)

    Wallbrown, Fred H.; And Others

    1989-01-01

    Investigated motivational distortion using the 16 Personality Factor Questionnaire (16 PF) for male (n=331) criminal offenders. Results indicated that ego-strength, free-floating anxiety, ability to bind anxiety, boldness, dominance, emotional sensitivity and suspiciousness contributed most to the motivational distortion scale predictions.…

  12. 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.

  13. Correcting the Chromatic Aberration in Barrel Distortion of Endoscopic Images

    Directory of Open Access Journals (Sweden)

    Y. M. Harry Ng

    2003-04-01

    Full Text Available Modern endoscopes offer physicians a wide-angle field of view (FOV for minimally invasive therapies. However, the high level of barrel distortion may prevent accurate perception of image. Fortunately, this kind of distortion may be corrected by digital image processing. In this paper we investigate the chromatic aberrations in the barrel distortion of endoscopic images. In the past, chromatic aberration in endoscopes is corrected by achromatic lenses or active lens control. In contrast, we take a computational approach by modifying the concept of image warping and the existing barrel distortion correction algorithm to tackle the chromatic aberration problem. In addition, an error function for the determination of the level of centroid coincidence is proposed. Simulation and experimental results confirm the effectiveness of our method.

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

    Science.gov (United States)

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

    2018-03-12

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

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  16. Mode distortion measurements on the Jefferson lab IR FEL

    CERN Document Server

    Benson, S V; Shinn, M

    2002-01-01

    We have previously reported on the analytical calculations of mirror distortion in a high-power FEL with a near-concentric cavity. This analysis allowed us to estimate the power level at which the FEL interaction would be affected, though no exact theory of FEL power vs. distortion exists at this point. Recently we have directly measured the mode size and beam quality as a function of power using a resonator with a center wavelength of 5 mu m. The resonator mirrors were calcium fluoride. This particular material exhibits a large amount of distortion for a given power but, due to the negative slope of refractive index vs. temperature, adds almost no optical phase distortion on the laser output. The mode in the cavity can thus be directly calculated from the measurements at the resonator output. The presence of angular jitter produced raw measurements inconsistent with cold cavity expectations. Removing the effects of the angular jitter, we derive results in agreement with cold cavity measurements. The result i...

  17. Factors associated with body image distortion in Korean adolescents

    Directory of Open Access Journals (Sweden)

    Hyun MY

    2014-05-01

    Full Text Available Mi-Yeul Hyun,1 Young-Eun Jung,2 Moon-Doo Kim,2 Young-Sook Kwak,2 Sung-Chul Hong,3 Won-Myong Bahk,4 Bo-Hyun Yoon,5 Hye Won Yoon,6 Bora Yoo61College of Nursing, Jeju National University, Jeju, Korea; 2Department of Psychiatry, School of Medicine, Jeju National University, Jeju, Korea; 3Department of Preventive Medicine, School of Medicine, Jeju National University, Jeju, Korea; 4Department of Psychiatry, Yeouido St Mary’s Hospital, College of Medicine, The Catholic University of Korea, Seoul, Korea; 5Department of Psychiatry, Naju National Hospital, Naju, Korea; 6School of Medicine, Jeju National University, Jeju, KoreaPurpose: Body image incorporates cognitive and affective components as well as behaviors related to own body perception. This study evaluated the occurrence of body image distortion and its correlates in Korean adolescents.Methods: In a school-based cross-sectional survey, a total of 2,117 adolescents were recruited. They filled out self-completing questionnaires on body image distortion, eating attitudes, and behaviors (Eating Attitude Test-26 and related factors.Results: Body image distortions were found in 51.8 percent of adolescents. Univariate analyses showed that boys and older adolescents had higher rates of body image distortion. In the multivariate analyses, body image distortion was associated with high risk for eating disorders (odds ratio [OR] =1.69; 95% confidence interval [CI] 1.11–2.58; P=0.015 and being over weight (OR =33.27; 95% CI 15.51–71.35; P<0.001 or obese (OR =9.37; 95% CI 5.06–17.34; P<0.001.Conclusion: These results suggest that body image distortion is relatively common in Korean adolescents, which has implications for adolescents at risk of developing eating disorders.Keywords: body image distortion, high risk for eating disorders, Korean adolescent

  18. Mobile Watermarking against Geometrical Distortions

    Directory of Open Access Journals (Sweden)

    Jing Zhang

    2015-08-01

    Full Text Available Mobile watermarking robust to geometrical distortions is still a great challenge. In mobile watermarking, efficient computation is necessary because mobile devices have very limited resources due to power consumption. In this paper, we propose a low-complexity geometrically resilient watermarking approach based on the optimal tradeoff circular harmonic function (OTCHF correlation filter and the minimum average correlation energy Mellin radial harmonic (MACE-MRH correlation filter. By the rotation, translation and scale tolerance properties of the two kinds of filter, the proposed watermark detector can be robust to geometrical attacks. The embedded watermark is weighted by a perceptual mask which matches very well with the properties of the human visual system. Before correlation, a whitening process is utilized to improve watermark detection reliability. Experimental results demonstrate that the proposed watermarking approach is computationally efficient and robust to geometrical distortions.

  19. Pump-induced optical distortions in disk amplifier modules: holographic and interferometric measurements

    International Nuclear Information System (INIS)

    Linford, G.J.; Chau, H.H.; Glaze, J.A.; Layne, C.B.; Rainer, F.

    1975-01-01

    Interferometric measurements have been made of the optical distortions induced in laser disk amplifiers during the flashlamp pumping pulse. Both conventional interferometric methods and the techniques of double exposure holographic interferometry were used to identify four major sources of pump-induced optical distortions: subsonic intrusion of hot gas (traced to leakage of atmospheric oxygen into the amplifier), microexplosions of dust particles, thermally induced optical distortions in the glass disks, and gaseous optical distortion effects caused by turbulent flow of the purging nitrogen gas supply used within the laser amplifier head. Methods for reducing or eliminating the effects of each of these optical distortions are described

  20. Distortion of gravitational-wave packets due to their self-gravity

    International Nuclear Information System (INIS)

    Kocsis, Bence; Loeb, Abraham

    2007-01-01

    When a source emits a gravity-wave (GW) pulse over a short period of time, the leading edge of the GW signal is redshifted more than the inner boundary of the pulse. The GW pulse is distorted by the gravitational effect of the self-energy residing in between these shells. We illustrate this distortion for GW pulses from the final plunge of black hole binaries, leading to the evolution of the GW profile as a function of the radial distance from the source. The distortion depends on the total GW energy released ε and the duration of the emission τ, scaled by the total binary mass M. The effect should be relevant in finite box simulations where the waveforms are extracted within a radius of 2 M. For characteristic emission parameters at the final plunge between binary black holes of arbitrary spins, this effect could distort the simulated GW templates for LIGO and LISA by a fraction of 10 -3 . Accounting for the wave distortion would significantly decrease the waveform extraction errors in numerical simulations

  1. Cognitive distortions among older adult gamblers in an Asian context.

    Directory of Open Access Journals (Sweden)

    Mythily Subramaniam

    Full Text Available The study aims to describe the construct of cognitive distortions based on the narratives of older adult gamblers (aged 60 years and above in Singapore.Singapore residents (citizens or permanent residents aged 60 years and above, who were current or past regular gamblers were included in the study. Participants were recruited using a combination of venue based approach, referrals from service providers as well as by snowball sampling. In all, 25 in-depth interviews were conducted with older adult gamblers. The six-step thematic network analysis methodology was adopted for data analysis.The mean age of the participants was 66.2 years. The majority were male (n = 18, of Chinese ethnicity (n = 16, with a mean age of gambling initiation at 24.5 years. Among older adult gamblers, cognitive distortions emerged as a significant global theme comprising three organizing themes-illusion of control, probability control and interpretive control. The organizing themes comprised nine basic themes: perception of gambling as a skill, near miss, concept of luck, superstitious beliefs, entrapment, gambler's fallacy, chasing wins, chasing losses, and beliefs that wins are more than losses.Cognitive distortions were endorsed by all gamblers in the current study and were shown to play a role in both maintaining and escalating the gambling behaviour. While the surface characteristics of the distortions had a culture-specific appearance, the deeper characteristics of the distortions may in fact be more universal than previously thought. Future research must include longitudinal studies to understand causal relationships between cognitive distortions and gambling as well as the role of culture-specific distortions both in the maintenance and treatment of the disorder.

  2. Novel Co(III)/Co(II) mixed valence compound [Co(bapen)Br2]2[CoBr4] (bapen = N,N‧-bis(3-aminopropyl)ethane-1,2-diamine): Synthesis, crystal structure and magnetic properties

    Science.gov (United States)

    Smolko, Lukáš; Černák, Juraj; Kuchár, Juraj; Miklovič, Jozef; Boča, Roman

    2016-09-01

    Green crystals of Co(III)/Co(II) mixed valence compound [Co(bapen)Br2]2[CoBr4] (bapen = N,N‧-bis(3-aminopropyl)ethane-1,2-diamine) were isolated from the aqueous system CoBr2 - bapen - HBr, crystallographically studied and characterized by elemental analysis and IR spectroscopy. Its ionic crystal structure is built up of [Co(bapen)Br2]+ cations and [CoBr4]2- anions. The Co(III) central atoms within the complex cations are hexacoordinated (donor set trans-N4Br2) with bromido ligands placed in the axial positions. The Co(II) atoms exhibit distorted tetrahedral coordination. Beside ionic forces weak Nsbnd H⋯Br intermolecular hydrogen bonding interactions contribute to the stability of the structure. Temperature variable magnetic measurements confirm the S = 3/2 behavior with the zero-field splitting of an intermediate strength: D/hc = 8.7 cm-1.

  3. (μ-2,3-Dihydroxybutane-1,4-dithiolatobis[triphenyltin(IV

    Directory of Open Access Journals (Sweden)

    Cuiping Li

    2010-02-01

    Full Text Available In the title compound, [Sn2(C6H56(C4H8O2S2], the geometry around the Sn atoms is distorted tetrahedral. The hydroxy groups are involved in O—H...O hydrogen bonding, which connects molecules into centrosymmetric dimers.

  4. Adsorption of cobalt (II) octaethylporphyrin and 2H-octaethylporphyrin on Ag(111): new insight into the surface coordinative bond

    International Nuclear Information System (INIS)

    Bai Yun; Buchner, Florian; Kellner, Ina; Schmid, Martin; Vollnhals, Florian; Steinrueck, Hans-Peter; Marbach, Hubertus; Michael Gottfried, J

    2009-01-01

    The adsorption of cobalt (II) octaethylporphyrin (CoOEP) and 2H-octaethylporphyrin (2HOEP) on Ag(111) was investigated with scanning tunneling microscopy (STM) and photoelectron spectroscopy (XPS/UPS), in order to achieve a detailed mechanistic understanding of the surface chemical bond of coordinated metal ions. Previous studies of related systems, especially cobalt (II) tetraphenylporphyrin (CoTPP) on Ag(111), have revealed adsorption-induced changes of the oxidation state of the Co ion and the appearance of a new valence state. These effects were attributed to a covalent interaction of the Co ion with the silver substrate. However, recent studies show that the porphyrin ligand of adsorbed CoTPP undergoes a pronounced saddle-shape distortion, which could alter the electronic structure and thus provide an alternative explanation for the new valence state previously attributed to the formation of a surface coordinative bond. With the octaethylporphyrins investigated here, which were found to adsorb in a flat, undistorted conformation on Ag(111), the effects of geometric distortion can be separated from those of the electronic interaction with the substrate. The CoOEP monolayer gives rise to an adsorption-induced shift of the Co 2p signal (-1.9 eV relative to the multilayer), a new valence state at 0.6 eV below the Fermi energy, and a work-function shift of -0.84 eV (2HOEP: -0.44 eV) relative to the clean surface. Comparison with data for the distorted CoTPP confirms the existence of a covalent ion-surface interaction that is insensitive to the conformation of the ligand.

  5. Raman spectrum, quantum mechanical calculations and vibrational assignments of (95% alpha-TeO2/5% Sm2O3) glass.

    Science.gov (United States)

    Shaltout, I; Mohamed, Tarek A

    2007-06-01

    Chozen system of tellurite glasses doped with rare earth oxides (95% alpha-TeO(2)+5% Sm2O3) was prepared by melt quenching. Consequently, the Raman spectrum (150-1250 cm(-1)) of the modified tellurite have been recorded. As a continuation to our normal coordinate analysis, force constants and quantum mechanical (QM) calculations for tbp TeO4(4-) (triagonal bipyramid, C(2v)) and TeO(3+1); Te2O7(6-) (bridged tetrahedral), we have carried out ab initio frequency calculations for tpy TeO3(2-) (triagonal pyramidal, C(3v) and C(s)) and tp TeO3(2-) (triagonal planar, D(3h)) ions. The quantum mechanical calculations at the levels of RHF, B3LYP and MP2 allow confident vibrational assignments and structural identification in the binary oxide glass (95% alpha-TeO2 +5% Sm2O3). The dominant three-dimensional network structures in the modified glass are triagonal pyramidal TeO3 with minor features of short range distorted tbp TeO4 and bridged tetrahedral unit of TeO(3+1), leading to a structure of infinite chain. Therefore, alpha-TeO2/Sm2O3 (95/5%) glass experience structural changes from TeO4 (tbp); Te2O7 (TeO(3+1))-->TeO3 (tpy).

  6. Perceptual distortion analysis of color image VQ-based coding

    Science.gov (United States)

    Charrier, Christophe; Knoblauch, Kenneth; Cherifi, Hocine

    1997-04-01

    It is generally accepted that a RGB color image can be easily encoded by using a gray-scale compression technique on each of the three color planes. Such an approach, however, fails to take into account correlations existing between color planes and perceptual factors. We evaluated several linear and non-linear color spaces, some introduced by the CIE, compressed with the vector quantization technique for minimum perceptual distortion. To study these distortions, we measured contrast and luminance of the video framebuffer, to precisely control color. We then obtained psychophysical judgements to measure how well these methods work to minimize perceptual distortion in a variety of color space.

  7. Cognitive distortions as a component and treatment focus of pathological gambling: a review.

    Science.gov (United States)

    Fortune, Erica E; Goodie, Adam S

    2012-06-01

    The literature on the role of cognitive distortions in the understanding and treatment of pathological gambling (PG) is reviewed, with sections focusing on (a) conceptual underpinnings of cognitive distortions, (b) cognitive distortions related to PG, (c) PG therapies that target cognitive distortions, (d) methodological factors and outcome variations, and (e) conclusions and prescriptive recommendations. The conceptual background for distortions related to PG lies in the program of heuristics and biases (Kahneman & Tversky, 1974) as well as other errors identified in basic psychology. The literature has focused on distortions arising from the representativeness heuristic (gambler's fallacy, overconfidence, and trends in number picking), the availability heuristic (illusory correlation, other individuals' wins, and inherent memory bias), and other sources (the illusion of control and double switching). Some therapies have incorporated cognitive restructuring within broader cognitive-behavioral therapies, with success. Other therapies have focused more narrowly on correcting distorted beliefs, more often with limited success. It is concluded that the literature establishes the role of cognitive distortions in PG and suggests therapies with particularly good promise, but is in need of further enrichment.

  8. Distortion of Probability and Outcome Information in Risky Decisions

    Science.gov (United States)

    DeKay, Michael L.; Patino-Echeverri, Dalia; Fischbeck, Paul S.

    2009-01-01

    Substantial evidence indicates that information is distorted during decision making, but very few studies have assessed the distortion of probability and outcome information in risky decisions. In two studies involving six binary decisions (e.g., banning blood donations from people who have visited England, because of "mad cow disease"),…

  9. Audiovisual Cues and Perceptual Learning of Spectrally Distorted Speech

    Science.gov (United States)

    Pilling, Michael; Thomas, Sharon

    2011-01-01

    Two experiments investigate the effectiveness of audiovisual (AV) speech cues (cues derived from both seeing and hearing a talker speak) in facilitating perceptual learning of spectrally distorted speech. Speech was distorted through an eight channel noise-vocoder which shifted the spectral envelope of the speech signal to simulate the properties…

  10. Distorted eikonal cross sections: A time-dependent view

    International Nuclear Information System (INIS)

    Turner, R.E.

    1982-01-01

    For Hamiltonians with two potentials, differential cross sections are written as time-correlation functions of reference and distorted transition operators. Distorted eikonal differential cross sections are defined in terms of straight-line and reference classical trajectories. Both elastic and inelastic results are obtained. Expressions for the inelastic cross sections are presented in terms of time-ordered cosine and sine memory functions through the use of the Zwanzig-Feshbach projection-operator method

  11. Preparation and crystal structure of carbonyltris (diethyldithiocarbamato) technetium (III): an unexpected source of co-ordinated carbon monoxide

    International Nuclear Information System (INIS)

    Baldas, J.; Bonnyman, J.; Pojer, P.M.; Williams, G.A.

    1981-10-01

    Tc(S 2 CNEt 2 ) 3 CO has been prepared by the reduction of NH 4 TcO 4 with formamidinesulphinic acid in the presence of NaS 2 CNEt 2 . It is suggested that the co-ordinated carbon monoxide is formed after co-ordination of formamidinesulphinic acid, or some decomposition product, with technetium. The crystal structure of Tc(S 2 CNEt 2 ) 3 CO has been determined by single-crystal X-ray diffraction methods at 17 deg. C. Diffractometry has provided significant Bragg intensities for 2045 independent reflections and the structure has been refined by full-matrix least-squares methods to R 0.049. The compound is isostructural with the rhenium analogue and consists of discrete Tc(S 2 CNEt 2 ) 3 CO molecules, each containing a terminal linear CO group. The technetium atom has a seven co-ordinate environment which is best described as a distorted pentagonal bipyramid

  12. Psychological Vulnerability and Problem Gambling: The Mediational Role of Cognitive Distortions.

    Science.gov (United States)

    Lévesque, David; Sévigny, Serge; Giroux, Isabelle; Jacques, Christian

    2018-01-03

    Despite numerous studies demonstrating the influence of cognitive distortions on gambling problem severity, empirical data regarding the role of psychological vulnerability on the latter is limited. Hence, this study assesses the mediating effect of cognitive distortions between psychological vulnerability (personality and mood), and gambling problem severity. It also verifies whether the relationships between these variables differs according to the preferred gambling activity. The sample is composed of 272 male gamblers [191 poker players; 81 video lottery terminal (VLT) players] aged between 18 and 82 years (M = 35.2). Bootstrap analysis results revealed that cognitive distortions mediate the effect of narcissism on gambling problem severity for both groups. The level of depression for VLT players significantly predicted gambling problem severity, both directly and indirectly via the mediating effect of cognitive distortions. Mediation analyses also indicated that narcissism had an indirect impact on problem gambling through cognitive distortions for both groups. These findings suggest that certain vulnerabilities related to personality and mood may influence cognitive distortion intensity and gambling problem severity. In addition, psychological vulnerabilities could differ based on preferred gambling activity. These results may be useful for prevention policies, identifying high risk gamblers and planning psychological interventions.

  13. New technique for real-time distortion-invariant multiobject recognition and classification

    Science.gov (United States)

    Hong, Rutong; Li, Xiaoshun; Hong, En; Wang, Zuyi; Wei, Hongan

    2001-04-01

    A real-time hybrid distortion-invariant OPR system was established to make 3D multiobject distortion-invariant automatic pattern recognition. Wavelet transform technique was used to make digital preprocessing of the input scene, to depress the noisy background and enhance the recognized object. A three-layer backpropagation artificial neural network was used in correlation signal post-processing to perform multiobject distortion-invariant recognition and classification. The C-80 and NOA real-time processing ability and the multithread programming technology were used to perform high speed parallel multitask processing and speed up the post processing rate to ROIs. The reference filter library was constructed for the distortion version of 3D object model images based on the distortion parameter tolerance measuring as rotation, azimuth and scale. The real-time optical correlation recognition testing of this OPR system demonstrates that using the preprocessing, post- processing, the nonlinear algorithm os optimum filtering, RFL construction technique and the multithread programming technology, a high possibility of recognition and recognition rate ere obtained for the real-time multiobject distortion-invariant OPR system. The recognition reliability and rate was improved greatly. These techniques are very useful to automatic target recognition.

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

    Science.gov (United States)

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

    2013-06-03

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

  15. Synthesis, crystal structure and luminescence properties of lanthanide coordination polymers with a new semirigid bridging thenylsalicylamide ligand

    International Nuclear Information System (INIS)

    Song, Xue-Qin; Wang, Li; Zhao, Meng-Meng; Wang, Xiao-Run; Peng, Yun-Qiao; Cheng, Guo-Quan

    2013-01-01

    Two new lanthanide coordination polymers based on a semirigid bridging thenylsalicylamide ligand ([Ln 2 L 3 (NO 3 ) 6 ]·(C 4 H 8 O 2 ) 2 ) ∞ were obtained and characterized by elemental analysis, X-ray diffraction, IR and TGA measurements. The two compounds are isostructure and possess one dimensional trapezoid ladder-like chain built up from the connection of isolated LnO 3 (NO 3 ) 3 polyhedra (distorted monocapped antisquare prism) through the ligand. The photoluminescence analysis suggest that there is an efficient ligand-to-Ln(III) energy transfer in Tb(III) complex and the ligand is an efficient “antenna” for Tb(III). From a more general perspective, the results demonstrated herein provide the possibility of controlling the formation of the desired lanthanide coordination structure to enrich the crystal engineering strategy and enlarge the arsenal for developing excellent luminescent lanthanide coordination polymers. - Graphical abstract: We present herein one dimensional lanthanide coordination polymers of a new semirigid exo-bidentate ligand which not only display interesting structures but also possess strong luminescence properties. Display Omitted - Highlights: • We present lanthanide coordination polymers of a new semirigid exo-bidentate ligand. • The lanthanide coordination polymers exhibit interesting structures. • The luminescent properties of Tb(III) complexes are discussed in detail

  16. Spectral Behavior of Weakly Compressible Aero-Optical Distortions

    Science.gov (United States)

    Mathews, Edwin; Wang, Kan; Wang, Meng; Jumper, Eric

    2016-11-01

    In classical theories of optical distortions by atmospheric turbulence, an appropriate and key assumption is that index-of-refraction variations are dominated by fluctuations in temperature and the effects of turbulent pressure fluctuations are negligible. This assumption is, however, not generally valid for aero-optical distortions caused by turbulent flow over an optical aperture, where both temperature and pressures fluctuations may contribute significantly to the index-of-refraction fluctuations. A general expression for weak fluctuations in refractive index is derived using the ideal gas law and Gladstone-Dale relation and applied to describe the spectral behavior of aero-optical distortions. Large-eddy simulations of weakly compressible, temporally evolving shear layers are then used to verify the theoretical results. Computational results support theoretical findings and confirm that if the log slope of the 1-D density spectrum in the inertial range is -mρ , the optical phase distortion spectral slope is given by - (mρ + 1) . The value of mρ is then shown to be dependent on the ratio of shear-layer free-stream densities and bounded by the spectral slopes of temperature and pressure fluctuations. Supported by HEL-JTO through AFOSR Grant FA9550-13-1-0001 and Blue Waters Graduate Fellowship Program.

  17. CMB spectral distortion constraints on thermal inflation

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Kihyun; Stewart, Ewan D. [Department of Physics, KAIST, Daejeon 34141 (Korea, Republic of); Hong, Sungwook E. [Korea Astronomy and Space Science Institute, Daejeon 34055 (Korea, Republic of); Zoe, Heeseung, E-mail: cho_physics@kaist.ac.kr, E-mail: heezoe@dgist.ac.kr, E-mail: jcap@profstewart.org, E-mail: heezoe@dgist.ac.kr [School of Undergraduate Studies, College of Transdisciplinary Studies, Daegu Gyeongbuk Institute of Science and Technology (DGIST), Daegu 42988 (Korea, Republic of)

    2017-08-01

    Thermal inflation is a second epoch of exponential expansion at typical energy scales V {sup 1/4} ∼ 10{sup 6} {sup ∼} {sup 8} GeV. If the usual primordial inflation is followed by thermal inflation, the primordial power spectrum is only modestly redshifted on large scales, but strongly suppressed on scales smaller than the horizon size at the beginning of thermal inflation, k > k {sub b} = a {sub b} H {sub b}. We calculate the spectral distortion of the cosmic microwave background generated by the dissipation of acoustic waves in this context. For k {sub b} || 10{sup 3} Mpc{sup −1}, thermal inflation results in a large suppression of the μ-distortion amplitude, predicting that it falls well below the standard value of μ ≅ 2× 10{sup −8}. Thus, future spectral distortion experiments, similar to PIXIE, can place new limits on the thermal inflation scenario, constraining k {sub b} ∼> 10{sup 3} Mpc{sup −1} if μ ≅ 2× 10{sup −8} were found.

  18. Accuracy evaluation of optical distortion calibration by digital image correlation

    Science.gov (United States)

    Gao, Zeren; Zhang, Qingchuan; Su, Yong; Wu, Shangquan

    2017-11-01

    Due to its convenience of operation, the camera calibration algorithm, which is based on the plane template, is widely used in image measurement, computer vision and other fields. How to select a suitable distortion model is always a problem to be solved. Therefore, there is an urgent need for an experimental evaluation of the accuracy of camera distortion calibrations. This paper presents an experimental method for evaluating camera distortion calibration accuracy, which is easy to implement, has high precision, and is suitable for a variety of commonly used lens. First, we use the digital image correlation method to calculate the in-plane rigid body displacement field of an image displayed on a liquid crystal display before and after translation, as captured with a camera. Next, we use a calibration board to calibrate the camera to obtain calibration parameters which are used to correct calculation points of the image before and after deformation. The displacement field before and after correction is compared to analyze the distortion calibration results. Experiments were carried out to evaluate the performance of two commonly used industrial camera lenses for four commonly used distortion models.

  19. Distortion of digital panoramic radiographs used for implant site assessment

    Directory of Open Access Journals (Sweden)

    Rayyan Abdulhamid Kayal

    2016-01-01

    Full Text Available Aims: This study is conducted to determine the amount of distortion of digital panoramic radiographs. Materials and Methods: Panoramic radiographs of all patients who received dental implants in the years 2012 and 2013 were selected from the records at the faculty of dentistry, King Abdulaziz University. Radiographs were analyzed using the R4 Kodak Software for linear measurements of implants length and width. The measurements were compared to the actual size of the implant, and the amount of distortion was calculated. Results: A total of 169 implants were analyzed. Horizontally, there was a statistically significant increase of 0.4 mm in width in the radiographic measurement compared to the actual size in the incisor region. Vertically, the sample overall exhibited a decrease by 0.4 mm compared to the actual size. Incisors had the highest difference with a decrease of 1.7 mm in the radiographic measurements compared to actual size. The highest distortion was found in the incisor region for both diameter and length (1.1 and 0.86, respectively. Conclusion: Digital panoramic radiographs show minimal to no distortion. The highest distortion is found in the anterior area.

  20. Face detection on distorted images using perceptual quality-aware features

    Science.gov (United States)

    Gunasekar, Suriya; Ghosh, Joydeep; Bovik, Alan C.

    2014-02-01

    We quantify the degradation in performance of a popular and effective face detector when human-perceived image quality is degraded by distortions due to additive white gaussian noise, gaussian blur or JPEG compression. It is observed that, within a certain range of perceived image quality, a modest increase in image quality can drastically improve face detection performance. These results can be used to guide resource or bandwidth allocation in a communication/delivery system that is associated with face detection tasks. A new face detector based on QualHOG features is also proposed that augments face-indicative HOG features with perceptual quality-aware spatial Natural Scene Statistics (NSS) features, yielding improved tolerance against image distortions. The new detector provides statistically significant improvements over a strong baseline on a large database of face images representing a wide range of distortions. To facilitate this study, we created a new Distorted Face Database, containing face and non-face patches from images impaired by a variety of common distortion types and levels. This new dataset is available for download and further experimentation at www.ideal.ece.utexas.edu/˜suriya/DFD/.

  1. Modeling 4f–4f intensity parameters as a function of structural distortions in Ln(2,2′-bipyridine-1,1′-dioxide){sub 4}(ClO{sub 4}){sub 3} complexes (Ln=Pr{sup 3+}, Nd{sup 3+})

    Energy Technology Data Exchange (ETDEWEB)

    Carneiro, A.N. [Departamento de Química Fundamental, Universidade Federal de Pernambuco-CCEN, Cidade Universitária, Recife-PE 50670-901 (Brazil); Huskowska, E.; Gawryszewska, P. [Faculty of Chemistry, Wroclaw University, 14 F. Joliot-Curie Street, Wroclaw (Poland); Legendziewicz, J., E-mail: janina.legendziewicz@chem.uni.wroc.pl [Faculty of Chemistry, Wroclaw University, 14 F. Joliot-Curie Street, Wroclaw (Poland); Malta, O.L. [Departamento de Química Fundamental, Universidade Federal de Pernambuco-CCEN, Cidade Universitária, Recife-PE 50670-901 (Brazil)

    2016-01-15

    This work reports on the influence of structural distortions on 4f–4f intensity parameters. These distortions in the first coordination sphere were applied to two complexes with similar structures, Ln(bpyO{sub 2}){sub 4}(ClO{sub 4}){sub 3} (Ln=Pr{sup 3+}, Nd{sup 3+} ions and bpyO{sub 2}=2,2′-bipyridine-1,1′-dioxide). The 4f–4f intensity theory and the PM3/Sparkle model were used. It is concluded that larger distortions are predicted in the case of the Pr complex, and that this point might contribute to the rationalization of the much higher values of the Ω{sub λ} intensity parameters in the Pr complex than in the Nd one. - Highlights: • The influence of structural distortions on 4f–4f intensity parameters was demonstrated for Nd and Pr complexes with 2,2′-bipyridine-1,1′-dioxide.

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

    International Nuclear Information System (INIS)

    Vancraeyenest, A.

    2010-10-01

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

  3. Analysis of tractable distortion metrics for EEG compression applications

    International Nuclear Information System (INIS)

    Bazán-Prieto, Carlos; Blanco-Velasco, Manuel; Cruz-Roldán, Fernando; Cárdenas-Barrera, Julián

    2012-01-01

    Coding distortion in lossy electroencephalographic (EEG) signal compression methods is evaluated through tractable objective criteria. The percentage root-mean-square difference, which is a global and relative indicator of the quality held by reconstructed waveforms, is the most widely used criterion. However, this parameter does not ensure compliance with clinical standard guidelines that specify limits to allowable noise in EEG recordings. As a result, expert clinicians may have difficulties interpreting the resulting distortion of the EEG for a given value of this parameter. Conversely, the root-mean-square error is an alternative criterion that quantifies distortion in understandable units. In this paper, we demonstrate that the root-mean-square error is better suited to control and to assess the distortion introduced by compression methods. The experiments conducted in this paper show that the use of the root-mean-square error as target parameter in EEG compression allows both clinicians and scientists to infer whether coding error is clinically acceptable or not at no cost for the compression ratio. (paper)

  4. Applications of X-ray fluorescence holography to determine local lattice distortions

    International Nuclear Information System (INIS)

    Hayashi, Kouichi; Happo, Naohisa; Hosokawa, Shinya

    2014-01-01

    Highlights: • We summarized topics of X-ray fluorescence holography focused on the local lattice distortions. • We found details of behaviors of nearest neighbor atoms around dopants. • We found the average distributions of the atoms at the individual sites in mixed crystals. • Distorted and undistorted sires sometimes coexist in a same mixed crystal. - Abstract: X-ray fluorescence holography (XFH) is a method for investigating atomic order up to the medium ranges, and can provide 3D atomic images around specific elements within a radius of nm order. In addition to these characteristics, XFH is sensitive to positional fluctuations of atoms, and therefore it is useful for characterizing the local lattice distortions around specific elements. We have applied XFH to dopants and mixed crystals. We found interesting features in local lattice distortions, such as the displacements of first-neighbor atoms around dopants, far-sighted views of the atomistic fluctuations in mixed crystals, and the coexistence of distorted/undistorted sites in the same material

  5. Does energy-price regulation benefit China's economy and environment? Evidence from energy-price distortions

    International Nuclear Information System (INIS)

    Ju, Keyi; Su, Bin; Zhou, Dequn; Wu, Junmin

    2017-01-01

    China's energy prices have long been regulated due to the critical role energy plays in economic growth and social development, which leads to energy-price distortion to some extent. To figure out whether energy-price regulations will benefit China's economy (measured by GDP growth) and environment (measured by carbon emissions), we conducted an in-depth simulation using path analysis, where five energy products (natural gas, gasoline, fuel oil, steam coal, and coking coal) are selected and three measurements (absolute, relative, and moving) of energy-price distortions are calculated. The results indicate that, with a series of energy pricing policies, the price distortion for a single type of energy has gradually transformed, while the energy pricing system in China is not fully market-oriented yet. Furthermore, China's economy benefits from relative and moving distortions, while the absolute distortions of energy prices have negative impacts on economic growth. Finally, with regard to the environment, carbon emissions call for fewer distortions. - Highlights: • Price distortion for a single type of energy has gradually transformed. • Energy pricing system in China is not yet fully market-oriented. • China's economy benefits from relative and moving distortions. • Absolute distortions of energy prices have negative effects on economic growth. • Carbon emissions call for less pricing distortions.

  6. A Comparison of Three Methods for Measuring Distortion in Optical Windows

    Science.gov (United States)

    Youngquist, Robert C.; Nurge, Mark A.; Skow, Miles

    2015-01-01

    It's important that imagery seen through large-area windows, such as those used on space vehicles, not be substantially distorted. Many approaches are described in the literature for measuring the distortion of an optical window, but most suffer from either poor resolution or processing difficulties. In this paper a new definition of distortion is presented, allowing accurate measurement using an optical interferometer. This new definition is shown to be equivalent to the definitions provided by the military and the standards organizations. In order to determine the advantages and disadvantages of this new approach, the distortion of an acrylic window is measured using three different methods: image comparison, moiré interferometry, and phase-shifting interferometry.

  7. System performance enhancement with pre-distorted OOFDM signal waveforms in DM/DD systems.

    Science.gov (United States)

    Sánchez, C; Ortega, B; Capmany, J

    2014-03-24

    In this work we propose a pre-distortion technique for the mitigation of the nonlinear distortion present in directly modulated/detected OOFDM systems and explore the system performance achieved under varying system parameters. Simulation results show that the proposed pre-distortion technique efficiently mitigates the nonlinear distortion, achieving transmission information rates around 40 Gbits/s and 18.5 Gbits/s over 40 km and 100 km of single mode fiber links, respectively, under optimum operating conditions. Moreover, the proposed pre-distortion technique can potentially provide higher system performance to that obtained with nonlinear equalization at the receiver.

  8. Effect of pion external distortion on low energy pion double-charge-exchange

    International Nuclear Information System (INIS)

    Khankhasaev, M.Kh.; Kurmanov, Zh.B.; Johnson, M.B.

    1993-01-01

    The effects of the external pion distortion for iso-elastic charge exchange scattering (within the framework of the isospin invariant optical model) is considered. An approximated method of taking into account the distortion based on the separable expansion of the optical potential in momentum space is developed. The result of external distortions for sequential scattering 14 C(π + , π - ) 14 O at 50 MeV is presented. It is shown that this distortion gives a small enhancement to forward and reduced the differential cross sections at large angels. 22 refs., 5 figs., 1 tab

  9. SUMMARY OF 2010 DOE EM INTERNATIONAL PROGRAM STUDIES OF WASTE GLASS STRUCTURE AND PROPERTIES

    Energy Technology Data Exchange (ETDEWEB)

    Fox, K.; Choi, A.; Marra, J.; Billings, A.

    2011-02-07

    Collaborative work between the Savannah River National Laboratory (SRNL) and SIA Radon in Russia was divided among three tasks for calendar year 2010. The first task focused on the study of simplified high level waste glass compositions with the objective of identifying the compositional drivers that lead to crystallization and poor chemical durability. The second task focused on detailed characterization of more complex waste glass compositions with unexpectedly poor chemical durabilities. The third task focused on determining the structure of select high level waste glasses made with varying frit compositions in order to improve models under development for predicting the melt rate of the Defense Waste Processing Facility (DWPF) glasses. The majority of these tasks were carried out at SIA Radon. Selection and fabrication of the glass compositions, along with chemical composition measurements and evaluations of durability were carried out at SRNL and are described in this report. SIA Radon provided three summary reports based on the outcome of the three tasks. These reports are included as appendices to this document. Briefly, the result of characterization of the Task 1 glasses may indicate that glass compositions where iron is predominantly tetrahedrally coordinated have more of a tendency to crystallize nepheline or nepheline-like phases. For the Task 2 glasses, the results suggested that the relatively low fraction of tetrahedrally coordinated boron and the relatively low concentrations of Al{sub 2}O{sub 3} available to form [BO{sub 4/2}]{sup -}Me{sup +} and [AlO{sub 4/2}]{sup -}Me{sup +} tetrahedral units are not sufficient to consume all of the alkali ions, and thus these alkali ions are easily leached from the glasses. All of the twelve Task 3 glass compositions were determined to be mainly amorphous, with some minor spinel phases. Several key structural units such as metasilicate chains and rings were identified, which confirms the current modeling

  10. Real-time distortion correction for visual inspection systems based on FPGA

    Science.gov (United States)

    Liang, Danhua; Zhang, Zhaoxia; Chen, Xiaodong; Yu, Daoyin

    2008-03-01

    Visual inspection is a kind of new technology based on the research of computer vision, which focuses on the measurement of the object's geometry and location. It can be widely used in online measurement, and other real-time measurement process. Because of the defects of the traditional visual inspection, a new visual detection mode -all-digital intelligent acquisition and transmission is presented. The image processing, including filtering, image compression, binarization, edge detection and distortion correction, can be completed in the programmable devices -FPGA. As the wide-field angle lens is adopted in the system, the output images have serious distortion. Limited by the calculating speed of computer, software can only correct the distortion of static images but not the distortion of dynamic images. To reach the real-time need, we design a distortion correction system based on FPGA. The method of hardware distortion correction is that the spatial correction data are calculated first under software circumstance, then converted into the address of hardware storage and stored in the hardware look-up table, through which data can be read out to correct gray level. The major benefit using FPGA is that the same circuit can be used for other circularly symmetric wide-angle lenses without being modified.

  11. The effect of symmetry on the U L3 NEXAFS of octahedral coordinated uranium(vi)

    Energy Technology Data Exchange (ETDEWEB)

    Bagus, Paul S. [Department of Chemistry, University of North Texas, Denton, Texas 76203-5017, USA; Nelin, Connie J. [Consultant, Austin, Texas 78730, USA; Ilton, Eugene S. [Pacific Northwest National Laboratory, Richland, Washington 99352, USA

    2017-03-21

    We describe a detailed theoretical analysis of how distortions from ideal cubic or Oh symmetry affect the shape, in particular the width, of the U L3-edge NEXAFS for U(VI) in octahedral coordination. The full-width-half-maximum (FWHM) of the L3-edge white line decreases with increasing distortion from Oh symmetry due to the mixing of symmetry broken t2g and eg components of the excited state U(6d) orbitals. The mixing is allowed because of spin-orbit splitting of the ligand field split 6d orbitals. Especially for higher distortions, it is possible to identify a mixing between one of the t2g and one of the eg components, allowed in the double group representation when the spin-orbit interaction is taken into account. This mixing strongly reduces the ligand field splitting, which, in turn, leads to a narrowing of the U L3 white line. However, the effect of this mixing is partially offset by an increase in the covalent anti-bonding character of the highest energy spin-orbit split eg orbital. At higher distortions, mixing overwhelms the increasing anti-bonding character of this orbital which leads to an accelerated decrease in the FWHM with increasing distortion. Additional evidence for the effect of mixing of t2g and eg components is that the FWHM of the white line narrows whether the two axial U-O bond distances shorten or lengthen. Our ab initio theory uses relativistic wavefunctions for cluster models of the structures; empirical or semi-empirical parameters were not used to adjust prediction to experiment. A major advantage is that it provides a transparent approach for determining how the character and extent of the covalent mixing of the relevant U and O orbitals affect the U L3-edge white line.

  12. A method based on moving least squares for XRII image distortion correction

    International Nuclear Information System (INIS)

    Yan Shiju; Wang Chengtao; Ye Ming

    2007-01-01

    This paper presents a novel integrated method to correct geometric distortions of XRII (x-ray image intensifier) images. The method has been compared, in terms of mean-squared residual error measured at control and intermediate points, with two traditional local methods and a traditional global methods. The proposed method is based on the methods of moving least squares (MLS) and polynomial fitting. Extensive experiments were performed on simulated and real XRII images. In simulation, the effect of pincushion distortion, sigmoidal distortion, local distortion, noise, and the number of control points was tested. The traditional local methods were sensitive to pincushion and sigmoidal distortion. The traditional global method was only sensitive to sigmoidal distortion. The proposed method was found neither sensitive to pincushion distortion nor sensitive to sigmoidal distortion. The sensitivity of the proposed method to local distortion was lower than or comparable with that of the traditional global method. The sensitivity of the proposed method to noise was higher than that of all three traditional methods. Nevertheless, provided the standard deviation of noise was not greater than 0.1 pixels, accuracy of the proposed method is still higher than the traditional methods. The sensitivity of the proposed method to the number of control points was greatly lower than that of the traditional methods. Provided that a proper cutoff radius is chosen, accuracy of the proposed method is higher than that of the traditional methods. Experiments on real images, carried out by using a 9 in. XRII, showed that residual error of the proposed method (0.2544±0.2479 pixels) is lower than that of the traditional global method (0.4223±0.3879 pixels) and local methods (0.4555±0.3518 pixels and 0.3696±0.4019 pixels, respectively)

  13. Rate-distortion analysis of steganography for conveying stereovision disparity maps

    Science.gov (United States)

    Umeda, Toshiyuki; Batolomeu, Ana B. D. T.; Francob, Filipe A. L.; Delannay, Damien; Macq, Benoit M. M.

    2004-06-01

    3-D images transmission in a way which is compliant with traditional 2-D representations can be done through the embedding of disparity maps within the 2-D signal. This approach enables the transmission of stereoscopic video sequences or images on traditional analogue TV channels (PAL or NTSC) or printed photographic images. The aim of this work is to study the achievable performances of such a technique. The embedding of disparity maps has to be seen as a global rate-distortion problem. The embedding capacity through steganography is determined by the transmission channel noise and by the bearable distortion on the watermarked image. The distortion of the 3-D image displayed as two stereo views depends on the rate allocated to the complementary information required to build those two views from one reference 2-D image. Results from the works on the scalar Costa scheme are used to optimize the embedding of the disparity map compressed bit stream into the reference image. A method for computing the optimal trade off between the disparity map distortion and embedding distortion as a function of the channel impairments is proposed. The goal is to get a similar distortion on the left (the reference image) and the right (the disparity compensated image) images. We show that in typical situations the embedding of 2 bits/pixels in the left image, while the disparity map is compressed at 1 bit per pixel leads to a good trade-off. The disparity map is encoded with a strong error correcting code, including synchronisation bits.

  14. Spectroscopic (IR, NMR) and conductometric characterization of lithium aluminum hydride - crown ethers complexes [Li{sup +}-C E](A I H{sub 4})- with C E=syn-isomers of DC 18-C-6 in benzene solutions; Caracterisation par spectrometrie (IR, RMN) et conductimetrie des complexes entre le tetrahydrualuminate de lithium LiAIH{sub 4} et l`ether-couronne DC 18-C-6* (isomeres cis-anti-cis et cis-syn-cis) en solution dans le benzene (*2,3,11,12-dicyclohexano-1,4,7,10,13,16-hexacyclooctadecane)

    Energy Technology Data Exchange (ETDEWEB)

    Bastide, J P; Ezzemouri, K; Carre, J; Bouamrane, A; Claudy, P [Institut National des Sciences Appliquees (INSA), 69 - Villeurbanne (France); Frange, B [Faculte des Sciences, 21 - Dijon (France)

    1996-03-01

    [Li{sup +}-C E](AIH{sub 4}){sup -} complexes with C E = syn and anti-isomers of the crown ether DC 18-C-6 have been characterized in benzene solutions by IR (infrared spectroscopy), NMR (nuclear magnetic resonance) and conductometry (at 298 K). The properties of these complexes are closely related to those of the cation [Li{sup +}-C E]. For the anti-isomer, no distortion of the macrocycle was noticed after complexation, the Li{sup +} trapped cation is coordinated with four oxygen atoms of the cavity, and the complex exhibits a covalent behavior. Electrical conductivity of the benzene solution is concentration independent and has a very low mean value ({lambda} = 0,06 {omega}{sup -1}.cm{sup 2}.mol{sup -1}). The macrocycle of the syn-isomer is drastically distorted after complexation. A tridimensional cavity is formed, in which the Li{sup +} trapped cation is coordinated with six oxygen atoms. As a consequence, the species exhibits a high degree of ionic character due to the stretching of the Li{sup +}---(AIH{sub 4}){sup -} bond. Electrical conductivity is enhanced for dilute solutions (x 10 at C 0,01 mol.L{sup -1}). The regular tetrahedral symmetry of (AIH{sub 4}){sup -} anion is retained in the molecular structure of the two complexes. Benzene solutions of [Li-+-syn-DC 18-C-6](AIH{sub 4}){sup -} appear to be the first example of free-(AIH{sub 4}){sup -} anions in a non-polar organic medium. (authors). 22 refs., 3 figs., 4 tabs.

  15. Distortion Correction in Fetal EPI Using Non-Rigid Registration With a Laplacian Constraint.

    Science.gov (United States)

    Kuklisova-Murgasova, Maria; Lockwood Estrin, Georgia; Nunes, Rita G; Malik, Shaihan J; Rutherford, Mary A; Rueckert, Daniel; Hajnal, Joseph V

    2018-01-01

    Geometric distortion induced by the main B0 field disrupts the consistency of fetal echo planar imaging (EPI) data, on which diffusion and functional magnetic resonance imaging is based. In this paper, we present a novel data-driven method for simultaneous motion and distortion correction of fetal EPI. A motion-corrected and reconstructed T2 weighted single shot fast spin echo (ssFSE) volume is used as a model of undistorted fetal brain anatomy. Our algorithm interleaves two registration steps: estimation of fetal motion parameters by aligning EPI slices to the model; and deformable registration of EPI slices to slices simulated from the undistorted model to estimate the distortion field. The deformable registration is regularized by a physically inspired Laplacian constraint, to model distortion induced by a source-free background B0 field. Our experiments show that distortion correction significantly improves consistency of reconstructed EPI volumes with ssFSE volumes. In addition, the estimated distortion fields are consistent with fields calculated from acquired field maps, and the Laplacian constraint is essential for estimation of plausible distortion fields. The EPI volumes reconstructed from different scans of the same subject were more consistent when the proposed method was used in comparison with EPI volumes reconstructed from data distortion corrected using a separately acquired B0 field map.

  16. Analyzing Reaction Rates with the Distortion/Interaction-Activation Strain Model

    NARCIS (Netherlands)

    Bickelhaupt, F. Matthias; Houk, Kendall N.

    2017-01-01

    The activation strain or distortion/interaction model is a tool to analyze activation barriers that determine reaction rates. For bimolecular reactions, the activation energies are the sum of the energies to distort the reactants into geometries they have in transition states plus the interaction

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

    Science.gov (United States)

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

    2017-11-01

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

  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. Redshift distortions of galaxy correlation functions

    International Nuclear Information System (INIS)

    Fry, J.N.; Florida Univ., Gainesville, FL; Gaztanaga, E.; Oxford Univ.

    1993-01-01

    To examine how peculiar velocities can affect the 2-, 3-, and 4-point correlation functions, we evaluate volume-average correlations for configurations that emphasize and minimize distortions for four different volume-limited samples from each of the CfA, SSRS, and IRAS redshift catalogs. We present the results as the correlation length r 0 and power index γ of the 2-point correlation, anti Ξ 2 = (r 0 /r) γ , and as the hierarchical amplitudes of the 3- and 4-point functions, S 3 = anti Ξ 3 /anti Ξ 2 2 and S 4 = anti Ξ/anti Ξ 2 3 . We find a characteristic distortion for anti Ξ 2 : The slope γ is flatter and the correlation length is larger in redshift space than in real space; that is, redshift distortions ''move'' correlations from small to large scales. At the largest scales, extra power in the redshift distribution is compatible with Ω 4/7 /b ∼ 1; we find 0.53 ± 0.15, 1.10 ± 0.16 and 0.84 ± 0.45 for the CfA, SSRS and IRAS catalogs. Higher order correlations anti Ξ 3 and anti Ξ 4 suffer similar redshift distortions, but in such a way that, within the accuracy of our analysis, the normalized amplitudes S 3 and S 4 are insensitive to this effect. The hierarchical amplitudes S 3 and S 4 are constant as a function of scale between 1-12 h -1 Mpc and have similar values in all samples and catalogues, S 3 ∼ 2 and S 4 ∼ 6, despite the fact that anti Ξ 2 , anti Ξ 3 , and anti Ξ 4 differ from one sample to another by large factors. The agreement between the independent estimations of S 3 and S 4 is remarkable given the different criteria in the selection of galaxies and also the difference in the resulting range of densities, luminosities and locations between samples

  1. Hydrothermal synthesis and crystal structure of a new lanthanum(III coordination polymer with fumaric acid

    Directory of Open Access Journals (Sweden)

    Hayet Anana

    2015-05-01

    Full Text Available The title compound, poly[diaquatris(μ4-but-2-enedioato(μ2-but-2-enedioic aciddilanthanum(III], [La2(C4H2O43(C4H4O4(H2O2]n, was synthesized by the reaction of lanthanum chloride pentahydrate with fumaric acid under hydrothermal conditions. The asymmetric unit comprises an LaIII cation, one and a half fumarate dianions (L2−, one a half-molecule of fumaric acid (H2L and one coordinated water molecule. Each LaIII cation has the same nine-coordinate environment and is surrounded by eight O atoms from seven distinct fumarate moieties, including one protonated fumarate unit and one water molecule in a distorted tricapped trigonal–prismatic environment. The LaO8(H2O polyhedra centres are edge-shared through three carboxylate bridges of the fumarate ligand, forming chains in three dimensions to construct the MOF. The crystal structure is stabilized by O—H...O hydrogen-bond interactions between the coordinated water molecule and the carboxylate O atoms, and also between oxygen atoms of fumaric acid

  2. Spatial Precision in Magnetic Resonance Imaging–Guided Radiation Therapy: The Role of Geometric Distortion

    Energy Technology Data Exchange (ETDEWEB)

    Weygand, Joseph, E-mail: jw2899@columbia.edu [Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); The University of Texas Graduate School of Biomedical Sciences at Houston, Houston, Texas (United States); Fuller, Clifton David [The University of Texas Graduate School of Biomedical Sciences at Houston, Houston, Texas (United States); Department of Radiation Oncology, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Ibbott, Geoffrey S. [Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); The University of Texas Graduate School of Biomedical Sciences at Houston, Houston, Texas (United States); Mohamed, Abdallah S.R. [Department of Radiation Oncology, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Department of Clinical Oncology and Nuclear Medicine, Alexandria University, Alexandria (Egypt); Ding, Yao [Department of Radiation Oncology, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Yang, Jinzhong [Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); The University of Texas Graduate School of Biomedical Sciences at Houston, Houston, Texas (United States); Hwang, Ken-Pin [Department of Imaging Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Wang, Jihong [Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); The University of Texas Graduate School of Biomedical Sciences at Houston, Houston, Texas (United States)

    2016-07-15

    Because magnetic resonance imaging–guided radiation therapy (MRIgRT) offers exquisite soft tissue contrast and the ability to image tissues in arbitrary planes, the interest in this technology has increased dramatically in recent years. However, intrinsic geometric distortion stemming from both the system hardware and the magnetic properties of the patient affects MR images and compromises the spatial integrity of MRI-based radiation treatment planning, given that for real-time MRIgRT, precision within 2 mm is desired. In this article, we discuss the causes of geometric distortion, describe some well-known distortion correction algorithms, and review geometric distortion measurements from 12 studies, while taking into account relevant imaging parameters. Eleven of the studies reported phantom measurements quantifying system-dependent geometric distortion, while 2 studies reported simulation data quantifying magnetic susceptibility–induced geometric distortion. Of the 11 studies investigating system-dependent geometric distortion, 5 reported maximum measurements less than 2 mm. The simulation studies demonstrated that magnetic susceptibility–induced distortion is typically smaller than system-dependent distortion but still nonnegligible, with maximum distortion ranging from 2.1 to 2.6 mm at a field strength of 1.5 T. As expected, anatomic landmarks containing interfaces between air and soft tissue had the largest distortions. The evidence indicates that geometric distortion reduces the spatial integrity of MRI-based radiation treatment planning and likely diminishes the efficacy of MRIgRT. Better phantom measurement techniques and more effective distortion correction algorithms are needed to achieve the desired spatial precision.

  3. Spatial Precision in Magnetic Resonance Imaging–Guided Radiation Therapy: The Role of Geometric Distortion

    International Nuclear Information System (INIS)

    Weygand, Joseph; Fuller, Clifton David; Ibbott, Geoffrey S.; Mohamed, Abdallah S.R.; Ding, Yao; Yang, Jinzhong; Hwang, Ken-Pin; Wang, Jihong

    2016-01-01

    Because magnetic resonance imaging–guided radiation therapy (MRIgRT) offers exquisite soft tissue contrast and the ability to image tissues in arbitrary planes, the interest in this technology has increased dramatically in recent years. However, intrinsic geometric distortion stemming from both the system hardware and the magnetic properties of the patient affects MR images and compromises the spatial integrity of MRI-based radiation treatment planning, given that for real-time MRIgRT, precision within 2 mm is desired. In this article, we discuss the causes of geometric distortion, describe some well-known distortion correction algorithms, and review geometric distortion measurements from 12 studies, while taking into account relevant imaging parameters. Eleven of the studies reported phantom measurements quantifying system-dependent geometric distortion, while 2 studies reported simulation data quantifying magnetic susceptibility–induced geometric distortion. Of the 11 studies investigating system-dependent geometric distortion, 5 reported maximum measurements less than 2 mm. The simulation studies demonstrated that magnetic susceptibility–induced distortion is typically smaller than system-dependent distortion but still nonnegligible, with maximum distortion ranging from 2.1 to 2.6 mm at a field strength of 1.5 T. As expected, anatomic landmarks containing interfaces between air and soft tissue had the largest distortions. The evidence indicates that geometric distortion reduces the spatial integrity of MRI-based radiation treatment planning and likely diminishes the efficacy of MRIgRT. Better phantom measurement techniques and more effective distortion correction algorithms are needed to achieve the desired spatial precision.

  4. Computational simulation of weld microstructure and distortion by considering process mechanics

    Science.gov (United States)

    Mochizuki, M.; Mikami, Y.; Okano, S.; Itoh, S.

    2009-05-01

    Highly precise fabrication of welded materials is in great demand, and so microstructure and distortion controls are essential. Furthermore, consideration of process mechanics is important for intelligent fabrication. In this study, the microstructure and hardness distribution in multi-pass weld metal are evaluated by computational simulations under the conditions of multiple heat cycles and phase transformation. Because conventional CCT diagrams of weld metal are not available even for single-pass weld metal, new diagrams for multi-pass weld metals are created. The weld microstructure and hardness distribution are precisely predicted when using the created CCT diagram for multi-pass weld metal and calculating the weld thermal cycle. Weld distortion is also investigated by using numerical simulation with a thermal elastic-plastic analysis. In conventional evaluations of weld distortion, the average heat input has been used as the dominant parameter; however, it is difficult to consider the effect of molten pool configurations on weld distortion based only on the heat input. Thus, the effect of welding process conditions on weld distortion is studied by considering molten pool configurations, determined by temperature distribution and history.

  5. Evaluation of core distortion in FBR

    International Nuclear Information System (INIS)

    Ikarimoto, I.; Tanaka, M.; Okubo, Y.

    1984-01-01

    The analyses of FBR's core distortion are mainly performed in order to evaluate the following items: 1) Change of reactivity; 2) Force at pads on core assemblies; 3) Withdrawal force at refueling; 4) Loading, refueling and residual deviations of wrapper tubes (core assemblies) at the top; 5) Bowing modes of guide tubes for control rods. The analysis of core distortion are performed by using computer program for two-dimensional row deformation analysis or three-dimensional core deformation if necessary, considering these evaluated items which become design conditions. This report shows the relationship between core deformation analysis and component design, a point of view of choosing an analysis program for design considering core characteristics, and computing examples of core deformation of prototype class reactor by the above code. (author)

  6. Lawful Distortion of Consumers’ Economic Behaviour

    DEFF Research Database (Denmark)

    Trzaskowski, Jan

    2016-01-01

    ‘collateral damage’. In that vein this article discusses situations where consumers may have their economic behaviour distorted by commercial practices that are not unfair under the Directive. It is expected that many consumers will make relatively good decisions most of the time...... Visitors’). The article suggests how behavioural sciences may be applied to understand these situations in order to protect more consumers from having their economic behaviour distorted by commercial practices. It is suggested that per se prohibitions may be advantageous in some instances as long......The Unfair Commercial Practices Directive prohibits unfair business-to-consumer commercial practices with a view to protect consumers’ economic interests. In a market economy such regulation cannot protect the economic interests of all consumers in all situations – there must inevitably be some...

  7. Redshift-space distortions from vector perturbations

    Science.gov (United States)

    Bonvin, Camille; Durrer, Ruth; Khosravi, Nima; Kunz, Martin; Sawicki, Ignacy

    2018-02-01

    We compute a general expression for the contribution of vector perturbations to the redshift space distortion of galaxy surveys. We show that they contribute to the same multipoles of the correlation function as scalar perturbations and should thus in principle be taken into account in data analysis. We derive constraints for next-generation surveys on the amplitude of two sources of vector perturbations, namely non-linear clustering and topological defects. While topological defects leave a very small imprint on redshift space distortions, we show that the multipoles of the correlation function are sensitive to vorticity induced by non-linear clustering. Therefore future redshift surveys such as DESI or the SKA should be capable of measuring such vector modes, especially with the hexadecapole which appears to be the most sensitive to the presence of vorticity.

  8. [An improved low spectral distortion PCA fusion method].

    Science.gov (United States)

    Peng, Shi; Zhang, Ai-Wu; Li, Han-Lun; Hu, Shao-Xing; Meng, Xian-Gang; Sun, Wei-Dong

    2013-10-01

    Aiming at the spectral distortion produced in PCA fusion process, the present paper proposes an improved low spectral distortion PCA fusion method. This method uses NCUT (normalized cut) image segmentation algorithm to make a complex hyperspectral remote sensing image into multiple sub-images for increasing the separability of samples, which can weaken the spectral distortions of traditional PCA fusion; Pixels similarity weighting matrix and masks were produced by using graph theory and clustering theory. These masks are used to cut the hyperspectral image and high-resolution image into some sub-region objects. All corresponding sub-region objects between the hyperspectral image and high-resolution image are fused by using PCA method, and all sub-regional integration results are spliced together to produce a new image. In the experiment, Hyperion hyperspectral data and Rapid Eye data were used. And the experiment result shows that the proposed method has the same ability to enhance spatial resolution and greater ability to improve spectral fidelity performance.

  9. Gambling Motives: Do They Explain Cognitive Distortions in Male Poker Gamblers?

    Science.gov (United States)

    Mathieu, Sasha; Barrault, Servane; Brunault, Paul; Varescon, Isabelle

    2018-03-01

    Gambling behavior is partly the result of varied motivations leading individuals to participate in gambling activities. Specific motivational profiles are found in gamblers, and gambling motives are closely linked to the development of cognitive distortions. This cross-sectional study aimed to predict cognitive distortions from gambling motives in poker players. The population was recruited in online gambling forums. Participants reported gambling at least once a week. Data included sociodemographic characteristics, the South Oaks Gambling Screen, the Gambling Motives Questionnaire-Financial and the Gambling-Related Cognition Scale. This study was conducted on 259 male poker gamblers (aged 18-69 years, 14.3% probable pathological gamblers). Univariate analyses showed that cognitive distortions were independently predicted by overall gambling motives (34.8%) and problem gambling (22.4%) (p gambling problems, showing a close inter-relationship between gambling motives, cognitive distortions and the severity of gambling. These data are consistent with the following theoretical process model: gambling motives lead individuals to practice and repeat the gambling experience, which may lead them to develop cognitive distortions, which in turn favor problem gambling. This study opens up new research perspectives to understand better the mechanisms underlying gambling practice and has clinical implications in terms of prevention and treatment. For example, a coupled motivational and cognitive intervention focused on gambling motives/cognitive distortions could be beneficial for individuals with gambling problems.

  10. 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.

  11. How Distorted Thinking Influence Arab Children Academic Achievement in Israel?

    Science.gov (United States)

    Gith, Emad

    2018-01-01

    The purpose of the current study was to examine the relation between the parents Cognitive Distortion and Arab children academic achievements in Israel. 52 fifth grade Arab Children and their parents from Israel were participated. The results indicated that parent's cognitive distortion related negatively to children academic achievements; there…

  12. 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.

  13. On the relationship between perceptual impact of source and channel distortions in video sequences

    DEFF Research Database (Denmark)

    Korhonen, Jari; Reiter, Ulrich; You, Junyong

    2010-01-01

    It is known that peak signal-to-noise ratio (PSNR) can be used for assessing the relative qualities of distorted video sequences meaningfully only if the compared sequences contain similar types of distortions. In this paper, we propose a model for rough assessment of the bias in PSNR results, when...... video sequences with both channel and source distortion are compared against video sequences with source distortion only. The proposed method can be used to compare the relative perceptual quality levels of video sequences with different distortion types more reliably than using plain PSNR....

  14. Amplifier Distortion

    Science.gov (United States)

    Keeports, David

    2006-12-01

    By definition, a high fidelity amplifier's instantaneous output voltage is directly proportional to its instantaneous input voltage. While high fidelity is generally valued in the amplification of recorded music, nonlinearity, also known as distortion, is desirable in the amplification of some musical instruments. In particular, guitar amplifiers exploit nonlinearity to increase both the harmonic content and sustain of a guitar's sound. I will discuss how both modifications in sound result from saturation of triode tubes and transistors. Additionally, I will describe the difference in the symmetry of saturation curves for transistors and tubes and the reason why tube guitar amplifiers are generally considered to be superior to solid-state amplifiers. Finally, I will discuss attempts to use solid-state electronics to replicate the sound of tube amplifiers.

  15. Metering error quantification under voltage and current waveform distortion

    Science.gov (United States)

    Wang, Tao; Wang, Jia; Xie, Zhi; Zhang, Ran

    2017-09-01

    With integration of more and more renewable energies and distortion loads into power grid, the voltage and current waveform distortion results in metering error in the smart meters. Because of the negative effects on the metering accuracy and fairness, it is an important subject to study energy metering combined error. In this paper, after the comparing between metering theoretical value and real recorded value under different meter modes for linear and nonlinear loads, a quantification method of metering mode error is proposed under waveform distortion. Based on the metering and time-division multiplier principles, a quantification method of metering accuracy error is proposed also. Analyzing the mode error and accuracy error, a comprehensive error analysis method is presented which is suitable for new energy and nonlinear loads. The proposed method has been proved by simulation.

  16. Syntheses, spectroscopic and magnetic properties of polystyrene-anchored coordination compounds of thiazolidinone

    Directory of Open Access Journals (Sweden)

    D. Kumar

    2014-01-01

    Full Text Available The reaction between polystyrene 3-formylsalicylate and furoic acid hydrazide in DMF in the presence of ethyl acetate results in the formation of polystyrene N-(2-carbamoylfuranyl-3'-carboxy-2'-hydroxybenzylideneimine (I. A benzene suspension of I reacts with mercaptoacetic acid and forms the polystyrene N-(2-carbamoylfuranyl-C-(3'-carboxy-2'-hydroxyphenylthiazolidin-4-one, PSCH2–LH2 (II. A DMF suspension of II reacts with Mn(II, Ni(II, Cd(II, Fe(III and UO2(VI ions and forms the polystyrene-anchored coordination compounds of the types, [PSCH2–LMn(DMF3], [PSCH2–LNi(DMF3], [PSCH2–LCd(DMF], [PSCH2–LH2FeCl3] and [PSCH2–LHUO2(NO3(DMF]. The polystyrene-anchored coordination compounds have been characterized on the basis of elemental analyses, spectral (IR, reflectance studies and magnetic susceptibility measurements. II acts as a neutral tridentate ONO donor ligand in [PSCH2–LH2FeCl3], a monobasic tridentate ONO donor ligand in [PSCH2–LHUO2(NO3(DMF], a dibasic tridentate ONO donor ligand in [PSCH2–LMn(DMF3], [PSCH2–LNi(DMF3] and [PSCH2–LCd(DMF]. A tetrahedral structure for Cd(II and an octahedral structure for Mn(II, Ni(II, Fe(III and a square-antiprism geometry for UO2(VI complex are suggested. DOI: http://dx.doi.org/10.4314/bcse.v28i1.4

  17. An Unusual Pseudo-Coordination Polymer of Dithia-18-Crown-6 with Heavy Metal

    International Nuclear Information System (INIS)

    Kang, Gyeongchan; Park, Inhyeok; Lee, Shimsung

    2012-01-01

    The assembly reactions of 1,10-dithia-18-crown-6 (L) with mercury(II) and/or cadmium(II) salts provide metallosupramolecules with the unusual arrangement due to the formation of the mercury(II) halides (chloride and iodide) clusters which locate outside the macrocyclic cavity. In the reaction with mercury(II) chloride, we were able to isolate the 1D pseudo-coordination polymer 1 which resembles the ivy leaves. In 1, it is considered that the 1D zigzag array of Hg-Cl-Hg-Cl chain as a leaf-stem and the macrocyclic complexes as leaves. While, from the reaction of mercury(II) iodide and cadmium(II) iodide mixture, the discrete complex 2 with two macrocyclic cadmium(II) complex cation parts and one mercury(II) iodide cluster anion part was isolated. In both cases, each metal center is seven-coordinate, being bound to all the donors of L, with its seventh site being occupied by one halide atom, adopting a distorted monocapped trigonal prism

  18. An Unusual Pseudo-Coordination Polymer of Dithia-18-Crown-6 with Heavy Metal

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Gyeongchan [Yeosu High School, Yeosu (Korea, Republic of); Park, Inhyeok; Lee, Shimsung [Gyeongsang National Univ., Jinju (Korea, Republic of)

    2012-11-15

    The assembly reactions of 1,10-dithia-18-crown-6 (L) with mercury(II) and/or cadmium(II) salts provide metallosupramolecules with the unusual arrangement due to the formation of the mercury(II) halides (chloride and iodide) clusters which locate outside the macrocyclic cavity. In the reaction with mercury(II) chloride, we were able to isolate the 1D pseudo-coordination polymer 1 which resembles the ivy leaves. In 1, it is considered that the 1D zigzag array of Hg-Cl-Hg-Cl chain as a leaf-stem and the macrocyclic complexes as leaves. While, from the reaction of mercury(II) iodide and cadmium(II) iodide mixture, the discrete complex 2 with two macrocyclic cadmium(II) complex cation parts and one mercury(II) iodide cluster anion part was isolated. In both cases, each metal center is seven-coordinate, being bound to all the donors of L, with its seventh site being occupied by one halide atom, adopting a distorted monocapped trigonal prism.

  19. Distortions caused by the signal processing in analog AM modulators

    International Nuclear Information System (INIS)

    Njau, E.C.

    1988-08-01

    Complete analytical expressions for distortions caused by signal processing in analog AM modulators are developed. The salient features in these expressions are shown to be consistent with displays of actual spectra of AM signals. Finally suggestions are given on how the distortions may be practically minimized. (author). 6 refs, 3 figs

  20. A two-dimensional Zn coordination polymer with a three-dimensional supramolecular architecture

    Directory of Open Access Journals (Sweden)

    Fuhong Liu

    2017-10-01

    Full Text Available The title compound, poly[bis{μ2-4,4′-bis[(1,2,4-triazol-1-ylmethyl]biphenyl-κ2N4:N4′}bis(nitrato-κOzinc(II], [Zn(NO32(C18H16N62]n, is a two-dimensional zinc coordination polymer constructed from 4,4′-bis[(1H-1,2,4-triazol-1-ylmethyl]-1,1′-biphenyl units. It was synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. The ZnII cation is located on an inversion centre and is coordinated by two O atoms from two symmetry-related nitrate groups and four N atoms from four symmetry-related 4,4′-bis[(1H-1,2,4-triazol-1-ylmethyl]-1,1′-biphenyl ligands, forming a distorted octahedral {ZnN4O2} coordination geometry. The linear 4,4′-bis[(1H-1,2,4-triazol-1-ylmethyl]-1,1′-biphenyl ligand links two ZnII cations, generating two-dimensional layers parallel to the crystallographic (132 plane. The parallel layers are connected by C—H...O, C—H...N, C—H...π and π–π stacking interactions, resulting in a three-dimensional supramolecular architecture.

  1. A new one-dimensional NiII coordination polymer with a two-dimensional supramolecular architecture

    Directory of Open Access Journals (Sweden)

    Kai-Long Zhong

    2017-02-01

    Full Text Available A new one-dimensional NiII coordination polymer of 1,3,5-tris(imidazol-1-ylmethylbenzene, namely catena-poly[[aqua(sulfato-κOhemi(μ-ethane-1,2-diol-κ2O:O′[μ3-1,3,5-tris(1H-imidazol-1-ylmethylbenzene-κ3N3,N3′,N3′′]nickel(II] ethane-1,2-diol monosolvate monohydrate], {[Ni(SO4(C18H18N6(C2H6O20.5(H2O]·C2H6O2·H2O}n, was synthesized and characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. The NiII cation is coordinated by three N atoms of three different 1,3,5-tris(imidazol-1-ylmethylbenzene ligands, one O atom of an ethane-1,2-diol molecule, by a sulfate anion and a water molecule, forming a distorted octahedral NiN3O3 coordination geometry. The tripodal 1,3,5-tris(imidazol-1-ylmethylbenzene ligands link the NiII cations, generating metal–organic chains running along the [100] direction. Adjacent chains are further connected by O—H...O hydrogen bonds, resulting in a two-dimensional supermolecular architecture running parallel to the (001 plane. Another water molecule and a second ethane-1,2-diol molecule are non-coordinating and are linked to the coordinating sulfate ions via O—H...O hydrogen bonds.

  2. Adsorption of Zn(II) on the kaolinite(001) surfaces in aqueous environment: A combined DFT and molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qiang; Kong, Xiang-Ping; Zhang, Bao-Hua; Wang, Juan, E-mail: juaner80@163.com

    2017-08-31

    Highlights: • Zn(II) adsorption on two types of neutral kaolinite(001) surfaces is investigated. • Surface “Ou” is found the preferred site for mono- and bi-dentate complexes. • Both Zn(II) and surface oxygen accept electrons from aqua oxygens. • Coupling of O 2p with Zn sp{sup 3}d{sup 2} (or sp{sup 3}) hybridization states is the bonding nature. - Abstract: Adsorption of Zn(II) on two types of neutral (001) surfaces of kaolinite, tetrahedral Si(t) and octahedral Al(o), was studied by means of DFT calculations and classical molecular dynamics simulations. The position and structure for both outer-sphere and mono-/bi-dentate inner-sphere complexes of Zn(II) in aqueous environment were examined, with binding energy and radial distribution function calculated. Outer-sphere complex on the Si(t) surface, monodentate inner-sphere complex of “O{sub u}” (surface oxygen with “upright” hydrogen) site and bidentate complex of “O{sub u}-O{sub u}” site of neighboring Al centers on the Al(o) surface are considered to be the dominant adsorption species. The outer-sphere complex is found six-coordinated with distorted octahedral geometry, while both the inner-sphere complexes exhibit the tetrahedral structure with coordination number of four. Hydrogen bonding interactions between oxygen or hydrogen of the kaolinite(001) surfaces and the aqua ligands of Zn(II) act as the key role for the structure and stability of adsorption complexes. Upon the Mulliken population analysis and partial density of states, both Zn(II) and surface oxygen accept electrons from aqua oxygens, and coupling of O 2p with the sp{sup 3}d{sup 2} or sp{sup 3} hybridization states of Zn(II) is the primary bonding nature of Zn(II) with oxygen in outer- and inner-sphere complexes, respectively.

  3. 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.

  4. Method and device for monitoring distortion in an optical network

    NARCIS (Netherlands)

    2012-01-01

    A method and a device for monitoring of distortion in an optical network are provided, wherein at least one reference signal and at least one data signal are conveyed via an optical link and wherein a distortion of the at least one data signal is determined based on the at least one reference

  5. Sudden distortion of turbulence at a forest edge

    DEFF Research Database (Denmark)

    Mann, Jakob; Dellwik, Ebba

    2014-01-01

    Dellwik et al. (2013) presented data from a forest edge experiment based on two meteorological towers instrumented with sonic anemometers. The experiment was performed at a dense edge of the Tromnæs Forest, which is a 24 m tall mature beech stand on the island Falster, Denmark. The topography...... in the lateral variance, whereas the streamwise variance remained approximately constant. This result is in contrast to the predictions by homogeneous rapid distortion theory. We apply and develop an alternative framework based on inhomogeneous rapid distortion theory, also called blocking, in combination...

  6. Visualization and spectral synthesis of rotationally distorted stars

    International Nuclear Information System (INIS)

    Dall, T H; Sbordone, L

    2011-01-01

    Simple spherical, non-rotating stellar models are inadequate when describing real stars in the limit of very fast rotation: Both the observable spectrum and the geometrical shape of the star deviate strongly from simple models. We attempt to approach the problem of modeling geometrically distorted, rapidly rotating stars from a new angle: By constructing distorted geometrical models and integrating standard stellar models with varying temperature, gravity, and abundances, over the entire surface, we attempt a semi-empirical approach to modeling. Here we present our methodology, and present simple examples of applications.

  7. Naked singularities are not singular in distorted gravity

    Energy Technology Data Exchange (ETDEWEB)

    Garattini, Remo, E-mail: Remo.Garattini@unibg.it [Università degli Studi di Bergamo, Facoltà di Ingegneria, Viale Marconi 5, 24044 Dalmine (Bergamo) (Italy); I.N.F.N. – sezione di Milano, Milan (Italy); Majumder, Barun, E-mail: barunbasanta@iitgn.ac.in [Indian Institute of Technology Gandhinagar, Ahmedabad, Gujarat 382424 (India)

    2014-07-15

    We compute the Zero Point Energy (ZPE) induced by a naked singularity with the help of a reformulation of the Wheeler–DeWitt equation. A variational approach is used for the calculation with Gaussian Trial Wave Functionals. The one loop contribution of the graviton to the ZPE is extracted keeping under control the UltraViolet divergences by means of a distorted gravitational field. Two examples of distortion are taken under consideration: Gravity's Rainbow and Noncommutative Geometry. Surprisingly, we find that the ZPE is no more singular when we approach the singularity.

  8. Naked singularities are not singular in distorted gravity

    Science.gov (United States)

    Garattini, Remo; Majumder, Barun

    2014-07-01

    We compute the Zero Point Energy (ZPE) induced by a naked singularity with the help of a reformulation of the Wheele-DeWitt equation. A variational approach is used for the calculation with Gaussian Trial Wave Functionals. The one loop contribution of the graviton to the ZPE is extracted keeping under control the UltraViolet divergences by means of a distorted gravitational field. Two examples of distortion are taken under consideration: Gravity's Rainbow and Noncommutative Geometry. Surprisingly, we find that the ZPE is no more singular when we approach the singularity.

  9. Naked singularities are not singular in distorted gravity

    International Nuclear Information System (INIS)

    Garattini, Remo; Majumder, Barun

    2014-01-01

    We compute the Zero Point Energy (ZPE) induced by a naked singularity with the help of a reformulation of the Wheeler–DeWitt equation. A variational approach is used for the calculation with Gaussian Trial Wave Functionals. The one loop contribution of the graviton to the ZPE is extracted keeping under control the UltraViolet divergences by means of a distorted gravitational field. Two examples of distortion are taken under consideration: Gravity's Rainbow and Noncommutative Geometry. Surprisingly, we find that the ZPE is no more singular when we approach the singularity

  10. Bis{2-[(diisopropylphosphanylamino]pyridine-κ2N1,P}copper(I hexafluoridophosphate

    Directory of Open Access Journals (Sweden)

    Özgür Öztopcu

    2010-07-01

    Full Text Available The crystal structure of the title compound, [Cu(C11H19N2P2]PF6, is composed of discrete [Cu(PN-iPr2]+ cations [PN-iPr is 2-(diisopropylphosphanylaminopyridine] and PF6− anions. The Cu(I atom is bis-chelated by two independent PN-iPr ligands. It has a distorted tetrahedral coordination by two P atoms [Cu—P = 2.2277 (4 and 2.2257 (4 Å] and two pyridine N atoms [Cu—N = 2.0763 (11 and 2.0845 (12 Å]. Bond angles about Cu vary from 85.11 (3 (P—Cu—N to 130.37 (2° (P—Cu—P. In the crystal, N—H...F hydrogen bonds link the Cu complexes and the PF6− anions into continuous chains, which show a cross-bedded spatial arrangement. In addition, several weaker C—H...F interactions contribute to the coherence of the structure.

  11. Di-μ-iodido-bis{[(R-(+-2,2′-bis(diphenylphosphanyl-1,1′-binaphthyl-κ2P,P′]copper(I} 0.67-hydrate

    Directory of Open Access Journals (Sweden)

    Daniel Volz

    2012-04-01

    Full Text Available The structure of the title compound, [Cu2I2(C44H32P22]·0.67H2O, has been determined because of its interesting catalytic and optical features. The molecule, which has non-crystallographic C2-symmetry, consists of a core structure of two CuI ions, bridged by two iodide ions. Each CuI ion is also coordinated by one equivalent of the chiral bidentate (R-BINAP ligand [BINAP = 2,2′-bis(diphenylphosphanyl-1,1′-binaphthyl]. Thus, both cations show a distorted tetrahedral geometry being surrounded by two I atoms and two P atoms from the (R-BINAP ligands. The complex consists of isolated butterfly-shaped molecules featuring an angle of 146.11 (2° between adjacent CuI2 planes. The structure displays intramolecular C—H...I hydrogen bonding and contains disordered water. The absolute configuration of this chiral complex was determined by anomalous dispersion effects.

  12. Bis(2-amino-1,3-benzothiazole-κN3dichloridozinc(II ethanol hemisolvate

    Directory of Open Access Journals (Sweden)

    Young-Inn Kim

    2012-02-01

    Full Text Available In the title compound, [ZnCl2(C7H6N2S2]·0.5CH3CH2OH, the ZnII atom is coordinated by two N atoms of two 2-aminobenzothiazole ligands and two Cl atoms within a distorted tetrahedral geometry. The dihedral angle between the N/Zn/N and Cl/Zn/Cl planes is 86.22 (7°. The benzothiazole molecules are almost perpendicular to each other, forming a dihedral angle of 80.20 (8°. The molecular structure is stabilized by intramolecular N—H...Cl hydrogen bonds. In the crystal, intermolecular N—H...Cl hydrogen bonds link the molecules into a three-dimensional network. The SQUEEZE procedure in PLATON [Spek (2009. Acta Cryst. D65, 148–155] was used to model a disordered ethanol solvent molecule; the calculated unit-cell data allow for the presence of half of this molecule in the asymmetric unit.

  13. Studies of field distortions in a time projection chamber for the International Linear Collider

    International Nuclear Information System (INIS)

    Zenker, Klaus

    2014-12-01

    The International Linear Collider (ILC) will allow to do precision measurements of Standard Model parameter and to search for new physics. The ILD detector concept, which is developed for the ILC, uses a Time Projection Chamber (TPC) as central tracking device. The momentum resolution goal for the ILD TPC is δ(1/p t ) ≅ 10 -4 (GeV/c) -1 at a magnetic field of B=3.5 T. Field distortions of the magnetic or electric field inside the sensitive volume of the TPC distort the momentum measurements. Therefore, one needs to keep them under control and correct them with high precision. In this thesis the main sources of field distortions in the TPC are identified and their effects are determined. Furthermore, possibilities to reduce the identified field distortions are presented. One known source of distortions of the electric field are ions, produced by the gas amplification in the TPC anode, that drift into the sensitive volume of the TPC. In the first part of this work the creation of these ions in Gas Electron Multiplier (GEM), which are used for the gas amplification, is studied. It will be shown that the resulting field distortions are not acceptable at the ILD TPC. By tuning the parameters of the gas amplification at the anode the field distortion can be reduced, which is shown in measurements and simulations. In addition measurements using a modified GEM show that it is possible to further reduce the field distortions with such a GEM. In the second part of this work field distortions arising at boundaries between individual readout modules are investigated using simulation studies. It will be shown in simulations, which are verified by measurement results, that these field distortions significantly influence the readout module performance. Based on the simulation results the GEM based readout module developed at DESY is optimised and the field distortions are reduced. These performance improvements could also be verified in measurements. Finally, a laser

  14. The selfish Segregation Distorter gene complex of Drosophila melanogaster.

    Science.gov (United States)

    Larracuente, Amanda M; Presgraves, Daven C

    2012-09-01

    Segregation Distorter (SD) is an autosomal meiotic drive gene complex found worldwide in natural populations of Drosophila melanogaster. During spermatogenesis, SD induces dysfunction of SD(+) spermatids so that SD/SD(+) males sire almost exclusively SD-bearing progeny rather than the expected 1:1 Mendelian ratio. SD is thus evolutionarily "selfish," enhancing its own transmission at the expense of its bearers. Here we review the molecular and evolutionary genetics of SD. Genetic analyses show that the SD is a multilocus gene complex involving two key loci--the driver, Segregation distorter (Sd), and the target of drive, Responder (Rsp)--and at least three upward modifiers of distortion. Molecular analyses show that Sd encodes a truncated duplication of the gene RanGAP, whereas Rsp is a large pericentromeric block of satellite DNA. The Sd-RanGAP protein is enzymatically wild type but mislocalized within cells and, for reasons that remain unclear, appears to disrupt the histone-to-protamine transition in drive-sensitive spermatids bearing many Rsp satellite repeats but not drive-insensitive spermatids bearing few or no Rsp satellite repeats. Evolutionary analyses show that the Sd-RanGAP duplication arose recently within the D. melanogaster lineage, exploiting the preexisting and considerably older Rsp satellite locus. Once established, the SD haplotype collected enhancers of distortion and suppressors of recombination. Further dissection of the molecular genetic and cellular basis of SD-mediated distortion seems likely to provide insights into several important areas currently understudied, including the genetic control of spermatogenesis, the maintenance and evolution of satellite DNAs, the possible roles of small interfering RNAs in the germline, and the molecular population genetics of the interaction of genetic linkage and natural selection.

  15. Multiview Trajectory Mapping Using Homography with Lens Distortion Correction

    Directory of Open Access Journals (Sweden)

    Andrea Cavallaro

    2008-11-01

    Full Text Available We present a trajectory mapping algorithm for a distributed camera setting that is based on statistical homography estimation accounting for the distortion introduced by camera lenses. Unlike traditional approaches based on the direct linear transformation (DLT algorithm and singular value decomposition (SVD, the planar homography estimation is derived from renormalization. In addition to this, the algorithm explicitly introduces a correction parameter to account for the nonlinear radial lens distortion, thus improving the accuracy of the transformation. We demonstrate the proposed algorithm by generating mosaics of the observed scenes and by registering the spatial locations of moving objects (trajectories from multiple cameras on the mosaics. Moreover, we objectively compare the transformed trajectories with those obtained by SVD and least mean square (LMS methods on standard datasets and demonstrate the advantages of the renormalization and the lens distortion correction.

  16. Multiview Trajectory Mapping Using Homography with Lens Distortion Correction

    Directory of Open Access Journals (Sweden)

    Kayumbi Gabin

    2008-01-01

    Full Text Available Abstract We present a trajectory mapping algorithm for a distributed camera setting that is based on statistical homography estimation accounting for the distortion introduced by camera lenses. Unlike traditional approaches based on the direct linear transformation (DLT algorithm and singular value decomposition (SVD, the planar homography estimation is derived from renormalization. In addition to this, the algorithm explicitly introduces a correction parameter to account for the nonlinear radial lens distortion, thus improving the accuracy of the transformation. We demonstrate the proposed algorithm by generating mosaics of the observed scenes and by registering the spatial locations of moving objects (trajectories from multiple cameras on the mosaics. Moreover, we objectively compare the transformed trajectories with those obtained by SVD and least mean square (LMS methods on standard datasets and demonstrate the advantages of the renormalization and the lens distortion correction.

  17. Lepton asymmetry, neutrino spectral distortions, and big bang nucleosynthesis

    Science.gov (United States)

    Grohs, E.; Fuller, George M.; Kishimoto, C. T.; Paris, Mark W.

    2017-03-01

    We calculate Boltzmann neutrino energy transport with self-consistently coupled nuclear reactions through the weak-decoupling-nucleosynthesis epoch in an early universe with significant lepton numbers. We find that the presence of lepton asymmetry enhances processes which give rise to nonthermal neutrino spectral distortions. Our results reveal how asymmetries in energy and entropy density uniquely evolve for different transport processes and neutrino flavors. The enhanced distortions in the neutrino spectra alter the expected big bang nucleosynthesis light element abundance yields relative to those in the standard Fermi-Dirac neutrino distribution cases. These yields, sensitive to the shapes of the neutrino energy spectra, are also sensitive to the phasing of the growth of distortions and entropy flow with time/scale factor. We analyze these issues and speculate on new sensitivity limits of deuterium and helium to lepton number.

  18. Time distortion for expert and novice online game players.

    Science.gov (United States)

    Rau, Pei-Luen Patrick; Peng, Shu-Yun; Yang, Chin-Chow

    2006-08-01

    Online game addiction is a new mental disorder. This disorder is difficult to describe because of its comprehensive nature. Many online game players have problems controlling their playing time. They cannot stop playing a game that they enjoy. This research surveyed the past literature on "flow" and time disorder theory. A time distortion experiment was conducted. This research invited 64 children, teenagers, and young adults to investigate player skill and playing time effects on online game break-off. The playing experience and degree of time distortion were measured and analyzed. The results showed that both novice and expert online game players were subject to time distortion. The participants had difficulty breaking off from the game without intrusion by others in the real world. This research also suggests eight questions for self-evaluation for online game addiction.

  19. Distortion-Free 1-Bit PWM Coding for Digital Audio Signals

    Directory of Open Access Journals (Sweden)

    John Mourjopoulos

    2007-01-01

    Full Text Available Although uniformly sampled pulse width modulation (UPWM represents a very efficient digital audio coding scheme for digital-to-analog conversion and full-digital amplification, it suffers from strong harmonic distortions, as opposed to benign non-harmonic artifacts present in analog PWM (naturally sampled PWM, NPWM. Complete elimination of these distortions usually requires excessive oversampling of the source PCM audio signal, which results to impractical realizations of digital PWM systems. In this paper, a description of digital PWM distortion generation mechanism is given and a novel principle for their minimization is proposed, based on a process having some similarity to the dithering principle employed in multibit signal quantization. This conditioning signal is termed “jither” and it can be applied either in the PCM amplitude or the PWM time domain. It is shown that the proposed method achieves significant decrement of the harmonic distortions, rendering digital PWM performance equivalent to that of source PCM audio, for mild oversampling (e.g., ×4 resulting to typical PWM clock rates of 90 MHz.

  20. Distortion-Free 1-Bit PWM Coding for Digital Audio Signals

    Directory of Open Access Journals (Sweden)

    Mourjopoulos John

    2007-01-01

    Full Text Available Although uniformly sampled pulse width modulation (UPWM represents a very efficient digital audio coding scheme for digital-to-analog conversion and full-digital amplification, it suffers from strong harmonic distortions, as opposed to benign non-harmonic artifacts present in analog PWM (naturally sampled PWM, NPWM. Complete elimination of these distortions usually requires excessive oversampling of the source PCM audio signal, which results to impractical realizations of digital PWM systems. In this paper, a description of digital PWM distortion generation mechanism is given and a novel principle for their minimization is proposed, based on a process having some similarity to the dithering principle employed in multibit signal quantization. This conditioning signal is termed "jither" and it can be applied either in the PCM amplitude or the PWM time domain. It is shown that the proposed method achieves significant decrement of the harmonic distortions, rendering digital PWM performance equivalent to that of source PCM audio, for mild oversampling (e.g., resulting to typical PWM clock rates of 90 MHz.

  1. CIGS J-V distortion in the absence of blue photons

    International Nuclear Information System (INIS)

    Pudov, A.O.; Sites, J.R.; Contreras, M.A.; Nakada, T.; Schock, H.-W.

    2005-01-01

    Common buffer materials used with CuInGaSe 2 (CIGS) absorbers produce conduction-band barriers that may significantly distort the current-voltage (J-V) curves, especially when short-wavelength photons are excluded from the illumination spectrum. Earlier work documented this effect for CuInSe 2 (CIS) absorbers (band gap near 1.0 eV) with CdS buffers. Higher band-gap (no. approxno. 1.15 eV) CIGS absorbers show little or no distortion with CdS buffer layers. However, wider band gap (lower electron affinity) ZnS(O,OH) or InS(O,OH) buffers, prepared by chemical-bath deposition (CBD), clearly show the J-V distortion. The distortions have a turn-on time constant the order of a minute and turn-off time constant the order of a day, and they correlate with major variations in apparent quantum efficiency (QE) measured with varying intensity and spectral content of bias light. The results are consistent with a conduction-band spike barrier that increases with buffer band gap and is larger when the electron concentration in the buffer is small

  2. Coordination of the National Statistical System in the Information Security Context

    Directory of Open Access Journals (Sweden)

    O. H.

    2017-12-01

    Full Text Available The need for building the national statistical system (NSS as the framework for coordination of statistical works is substantiated. NSS is defined on the basis of system approach. It is emphasized that the essential conditions underlying NSS are strategic planning, reliance on internationally adopted methods and due consideration to country-specific environment. The role of the state coordination policy in organizing statistical activities in the NSS framework is highlighted, key objectives of the integrated national policy on coordination of statistical activities are given. Threats arising from non-existence of NSS in a country are shown: “irregular” pattern of statistical activities, resulting from absence of common legal, methodological and organizational grounds; high costs involved in the finished information product in parallel with its low quality; impossibility of administering the statistical information security in a coherent manner, i. e. keeping with the rules on confidentiality of data, preventing intentional distortion of information and keeping with the rules of treatment with data making the state secret. An extensive review of NSS functional objectives is made: to ensure the system development of the official statistics; to ensure confidentiality and protection of individual data; to establish interdepartmental mechanisms for control and protection of secret statistical information; to broaden and regulate the access to statistical data and their effective use. The need for creating the National Statistical Commission is grounded.

  3. One dimensional coordination polymers: Synthesis, crystal structures and spectroscopic properties

    Science.gov (United States)

    Karaağaç, Dursun; Kürkçüoğlu, Güneş Süheyla; Şenyel, Mustafa; Şahin, Onur

    2016-11-01

    Two new one dimensional (1D) cyanide complexes, namely [M(4-aepy)2(H2O)2][Pt(CN)4], (4-aepy = 4-(2-aminoethyl)pyridine M = Cu(II) (1) or Zn(II) (2)), have been synthesized and characterized by vibrational (FT-IR and Raman) spectroscopy, single crystal X-ray diffraction, thermal and elemental analyses techniques. The crystallographic analyses reveal that 1 and 2 are isomorphous and isostructural, and crystallize in the monoclinic system and C2 space group. The Pt(II) ions are coordinated by four cyanide-carbon atoms in the square-planar geometry and the [Pt(CN)4]2- ions act as a counter ion. The M(II) ions display an N4O2 coordination sphere with a distorted octahedral geometry, the nitrogen donors belonging to four molecules of the organic 4-aepy that act as unidentate ligands and two oxygen atoms from aqua ligands. The crystal structures of 1 and 2 are similar each other and linked via intermolecular hydrogen bonding, Pt⋯π interactions to form 3D supramolecular network. Vibration assignments of all the observed bands are given and the spectral features also supported to the crystal structures of the complexes.

  4. Models of brachial to finger pulse wave distortion and pressure decrement

    NARCIS (Netherlands)

    Gizdulich, P.; Prentza, A.; Wesseling, K.H.

    1997-01-01

    Objective: To model the pulse wave distortion and pressure decrement occurring between brachial and finger arteries. Distortion reversion and decrement correction were also our aims. Methods: Brachial artery pressure was recorded intra-arterially and finger pressure was recorded non-invasively by

  5. Geometrical theory of nonlinear phase distortion of intense laser beams

    International Nuclear Information System (INIS)

    Glaze, J.A.; Hunt, J.T.; Speck, D.R.

    1975-01-01

    Phase distortion arising from whole beam self-focusing of intense laser pulses with arbitrary spatial profiles is treated in the limit of geometrical optics. The constant shape approximation is used to obtain the phase and angular distribution of the geometrical rays in the near field. Conditions for the validity of this approximation are discussed. Geometrical focusing of the aberrated beam is treated for the special case of a beam with axial symmetry. Equations are derived that show both the shift of the focus and the distortion of the intensity distribution that are caused by the nonlinear index of refraction of the optical medium. An illustrative example treats the case of beam distortion in a Nd:Glass amplifier

  6. A review of PFR core distortion experience

    International Nuclear Information System (INIS)

    Brook, A.J.

    1984-01-01

    Neutron induced voidage (NIV) swelling and irradiation creep, acting together or individually, produce deformation in core components exposed to a fast neutron flux and can lead to mechanical interaction between them. Today the nature of these processes is reasonably well understood, and reactor designers have two options in attempting to accomodate them: either by employing a flexible free standing design in which contact loadings are low but in which distortion may be high, or more commonly, by some type of restrained core in which inter-component loadings are high, but where distortion is relatively small. The aims of this paper are: a. to describe briefly the various operational limits of core and core component distortion and how they arise, for which a brief description of reactor construction is necessary; b. to outline how the problems of inter-component contact loadings are overcome for the interactive core; c. to describe some other potential problems which arise either from absolute swelling, or from differential swelling between components; of particular relevance here is the problem of contact loadings between absorber rods and their guide tubes; d. to comment on the degree of agreement with, and the feedback provided by, PIE findings; e. to show how the results of the work influence reactor operators and the reload program

  7. Reactivity analysis of core distortion effects in the FFTF

    International Nuclear Information System (INIS)

    Knutson, B.J.

    1982-01-01

    An improved technique for evaluating core distortion reactivity effects was developed using reactivity analyses of two core geometry models (R-Z and HEX). This technique is incorporated into a new processor code called CORDIS. The advantages of this technique over existing reactivity models are that is preserves core heterogeneity, provides a control rod insertion effect model, uses row-dependent axial shape functions, and provides a flexible and cost efficient core distortion reactivity analysis method

  8. The effect of redshift-space distortions on projected 2-pt clustering measurements

    OpenAIRE

    Nock, Kelly; Percival, Will J.; Ross, Ashley J.

    2010-01-01

    Although redshift-space distortions only affect inferred distances and not angles, they still distort the projected angular clustering of galaxy samples selected using redshift dependent quantities. From an Eulerian view-point, this effect is caused by the apparent movement of galaxies into or out of the sample. From a Lagrangian view-point, we find that projecting the redshift-space overdensity field over a finite radial distance does not remove all the anisotropic distortions. We investigat...

  9. Testing for Distortions in Performance Measures

    DEFF Research Database (Denmark)

    Sloof, Randolph; Van Praag, Mirjam

    2015-01-01

    Distorted performance measures in compensation contracts elicit suboptimal behavioral responses that may even prove to be dysfunctional (gaming). This paper applies the empirical test developed by Courty and Marschke (Review of Economics and Statistics, 90, 428-441) to detect whether the widely...

  10. Testing for Distortions in Performance Measures

    DEFF Research Database (Denmark)

    Sloof, Randolph; Van Praag, Mirjam

    Distorted performance measures in compensation contracts elicit suboptimal behavioral responses that may even prove to be dysfunctional (gaming). This paper applies the empirical test developed by Courty and Marschke (2008) to detect whether the widely used class of Residual Income based performa...

  11. Effects of aspirin on distortion product fine structure: interpreted by the two-source model for distortion product otoacoustic emissions generation.

    Science.gov (United States)

    Rao, Aparna; Long, Glenis R

    2011-02-01

    Distortion product otoacoustic emission (DPOAE) fine structure is due to the interaction of two major components coming from different places in the cochlea. One component is generated from the region of maximal overlap of the traveling waves generated by the two primaries and is attributed to nonlinear distortion (nonlinear component). The other component arises predominantly from the tonotopic region of the distortion product and is attributed to linear coherent reflection (reflection component). Aspirin (salicylate) ototoxicity can cause reversible hearing loss and reduces otoacoustic emission generation in the cochlea. The two components are expected to be affected differentially by cochlear health. Changes in DPOAE fine structure were recorded longitudinally in three subjects before, during, and after aspirin consumption. Full data sets were analyzed for two subjects, but only partial data could be analyzed from the third subject. Resulting changes in the two components of DPOAE fine structure revealed variability among subjects and differential effects on the two components. For low-intensity primaries, both components were reduced with the reflection component being more vulnerable. For high-intensity primaries, the nonlinear component showed little or no change, but the reflection component was always reduced.

  12. An Exact Formula for Calculating Inverse Radial Lens Distortions

    Directory of Open Access Journals (Sweden)

    Pierre Drap

    2016-06-01

    Full Text Available This article presents a new approach to calculating the inverse of radial distortions. The method presented here provides a model of reverse radial distortion, currently modeled by a polynomial expression, that proposes another polynomial expression where the new coefficients are a function of the original ones. After describing the state of the art, the proposed method is developed. It is based on a formal calculus involving a power series used to deduce a recursive formula for the new coefficients. We present several implementations of this method and describe the experiments conducted to assess the validity of the new approach. Such an approach, non-iterative, using another polynomial expression, able to be deduced from the first one, can actually be interesting in terms of performance, reuse of existing software, or bridging between different existing software tools that do not consider distortion from the same point of view.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-06-03

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

  14. Weld distortion prediction and control of the ITER vacuum vessel manufacturing mock-ups

    International Nuclear Information System (INIS)

    Ottolini, Marco; Barbensi, Andrea

    2014-01-01

    The fabrication of the ITER Vacuum Vessel Sectors is an unprecedented challenge, due to their dimensions, the close tolerances, the complex 'D' shape. The technological issues were faced by the production of full scale mock ups to confirm the manufacturing feasibility to achieve very tight tolerances and qualify the main manufacturing processes, by a step by step welding distortion control, by the qualification of not conventional NDT inspection techniques and by innovative 3D dimensional inspections. The Supplier is required to fabricate at least two mock ups, inboard and outboard, related to the manufacturing method of the VV Sectors, to demonstrate the control of the welding distortions to achieve tolerances, optimizing welding sequences and calibrating of welding distortions computer simulations. The stages of this preparatory activity are: prediction of welding distortion for fabrication mock ups representative of selected segments; demonstration that distortion predictions are consistent with experimental results from 3D dimensional inspection; understanding of reasons of possible deviations between numerical and experimental results and definition of action to solve these issues; demonstration that possible calculation simplifications, adopted to speed up the analysis process, do not affect significantly the welding distortion prediction. This paper describes the weld distortion prediction and control on the manufacturing mock-ups of ITER Vacuum Vessel Sectors, with particular emphasis to the lessons learned. (authors)

  15. Expression-dependent susceptibility to face distortions in processing of facial expressions of emotion.

    Science.gov (United States)

    Guo, Kun; Soornack, Yoshi; Settle, Rebecca

    2018-03-05

    Our capability of recognizing facial expressions of emotion under different viewing conditions implies the existence of an invariant expression representation. As natural visual signals are often distorted and our perceptual strategy changes with external noise level, it is essential to understand how expression perception is susceptible to face distortion and whether the same facial cues are used to process high- and low-quality face images. We systematically manipulated face image resolution (experiment 1) and blur (experiment 2), and measured participants' expression categorization accuracy, perceived expression intensity and associated gaze patterns. Our analysis revealed a reasonable tolerance to face distortion in expression perception. Reducing image resolution up to 48 × 64 pixels or increasing image blur up to 15 cycles/image had little impact on expression assessment and associated gaze behaviour. Further distortion led to decreased expression categorization accuracy and intensity rating, increased reaction time and fixation duration, and stronger central fixation bias which was not driven by distortion-induced changes in local image saliency. Interestingly, the observed distortion effects were expression-dependent with less deterioration impact on happy and surprise expressions, suggesting this distortion-invariant facial expression perception might be achieved through the categorical model involving a non-linear configural combination of local facial features. Copyright © 2018 Elsevier Ltd. All rights reserved.

  16. Harmonic analysis for the characterization and correction of geometric distortion in MRI.

    Science.gov (United States)

    Tadic, Tony; Jaffray, David A; Stanescu, Teodor

    2014-11-01

    Magnetic resonance imaging (MRI) is gaining widespread use in radiation therapy planning, patient setup verification, and real-time guidance of radiation delivery. Successful implementation of these technologies relies on the development of simple and efficient methods to characterize and monitor the geometric distortions arising due to system imperfections and gradient nonlinearities. To this end, the authors present the theory and validation of a novel harmonic approach to the quantification of system-related distortions in MRI. The theory of spatial encoding in MRI is applied to demonstrate that the 3D distortion vector field (DVF) is given by the solution of a second-order boundary value problem (BVP). This BVP is comprised of Laplace's equation and a limited measurement of the distortion on the boundary of a specified region of interest (ROI). An analytical series expansion solving this BVP within a spherical ROI is obtained, and a statistical uncertainty analysis is performed to determine how random errors in the boundary measurements propagate to the ROI interior. This series expansion is then evaluated to obtain volumetric DVF mappings that are compared to reference data obtained on a 3 T full-body scanner. This validation is performed within two spheres of 20 cm diameter (one centered at the scanner origin and the other offset +3 cm along each of the transverse directions). Initially, a high-order mapping requiring measurements at 5810 boundary points is used. Then, after exploring the impact of the boundary sampling density and the effect of series truncation, a reduced-order mapping requiring measurements at 302 boundary points is evaluated. The volumetric DVF mappings obtained from the harmonic analysis are in good agreement with the reference data. Following distortion correction using the high-order mapping, the authors estimate a reduction in the mean distortion magnitude from 0.86 to 0.42 mm and from 0.93 to 0.39 mm within the central and offset

  17. Electromagnetic pulse distortion in living tissue

    NARCIS (Netherlands)

    Lepelaars, E.S.A.M.

    1996-01-01

    Insight into the distortion of electromagnetic (EM) signals in living tissue is important for optimising medical applications. To obtain this insight, field calculations have been carried out for a plane-stratified configuration of air, skin, fat, muscle and bone tissue. In this configuration, an EM

  18. Possible distortion of autoradiographic results

    Energy Technology Data Exchange (ETDEWEB)

    Kozlov, A.A.; Tumanushvili, G.D. (AN Gruzinskoj SSR, Tbilisi. Inst. Ehksperimental' noj Morfologii)

    1980-01-01

    The effect of radioactive labelling (H/sup 3/-thymidine) on the infusorian division is studied. The presented results show that introduction of labelled compounds results in accelerating infusorian cell division v. Thorough investigation of labelled compound effect with low activity on the parameters of cell division and the search of methods to eliminate distortions able to appear in autoradiographic experiments is expedient.

  19. Identification of different coordination geometries by XAFS in copper(II) complexes with trimesic acid

    Science.gov (United States)

    Gaur, A.; Klysubun, W.; Soni, Balram; Shrivastava, B. D.; Prasad, J.; Srivastava, K.

    2016-10-01

    X-ray absorption spectroscopy (XAS) is very useful in revealing the information about geometric and electronic structure of a transition-metal absorber and thus commonly used for determination of metal-ligand coordination. But XAFS analysis becomes difficult if differently coordinated metal centers are present in a system. In the present investigation, existence of distinct coordination geometries around metal centres have been studied by XAFS in a series of trimesic acid Cu(II) complexes. The complexes studied are: Cu3(tma)2(im)6 8H2O (1), Cu3(tma)2(mim)6 17H2O (2), Cu3(tma)2(tmen)3 8.5H2O (3), Cu3(tma) (pmd)3 6H2O (ClO4)3 (4) and Cu3(tma)2 3H2O (5). These complexes have not only Cu metal centres with different coordination but in complexes 1-3, there are multiple coordination geometries present around Cu centres. Using XANES spectra, different coordination geometries present in these complexes have been identified. The variation observed in the pre-edge features and edge features have been correlated with the distortion of the specific coordination environment around Cu centres in the complexes. XANES spectra have been calculated for the distinct metal centres present in the complexes by employing ab-initio calculations. These individual spectra have been used to resolve the spectral contribution of the Cu centres to the particular XANES features exhibited by the experimental spectra of the multinuclear complexes. Also, the variation in the 4p density of states have been calculated for the different Cu centres and then correlated with the features originated from corresponding coordination of Cu. Thus, these spectral features have been successfully utilized to detect the presence of the discrete metal centres in a system. The inferences about the coordination geometry have been supported by EXAFS analysis which has been used to determine the structural parameters for these complexes.

  20. A two-dimensional Zn coordination polymer with a three-dimensional supra-molecular architecture.

    Science.gov (United States)

    Liu, Fuhong; Ding, Yan; Li, Qiuyu; Zhang, Liping

    2017-10-01

    The title compound, poly[bis-{μ 2 -4,4'-bis-[(1,2,4-triazol-1-yl)meth-yl]biphenyl-κ 2 N 4 : N 4' }bis-(nitrato-κ O )zinc(II)], [Zn(NO 3 ) 2 (C 18 H 16 N 6 ) 2 ] n , is a two-dimensional zinc coordination polymer constructed from 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl units. It was synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. The Zn II cation is located on an inversion centre and is coordinated by two O atoms from two symmetry-related nitrate groups and four N atoms from four symmetry-related 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl ligands, forming a distorted octa-hedral {ZnN 4 O 2 } coordination geometry. The linear 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl ligand links two Zn II cations, generating two-dimensional layers parallel to the crystallographic (132) plane. The parallel layers are connected by C-H⋯O, C-H⋯N, C-H⋯π and π-π stacking inter-actions, resulting in a three-dimensional supra-molecular architecture.

  1. Objective video quality assessment method for freeze distortion based on freeze aggregation

    Science.gov (United States)

    Watanabe, Keishiro; Okamoto, Jun; Kurita, Takaaki

    2006-01-01

    With the development of the broadband network, video communications such as videophone, video distribution, and IPTV services are beginning to become common. In order to provide these services appropriately, we must manage them based on subjective video quality, in addition to designing a network system based on it. Currently, subjective quality assessment is the main method used to quantify video quality. However, it is time-consuming and expensive. Therefore, we need an objective quality assessment technology that can estimate video quality from video characteristics effectively. Video degradation can be categorized into two types: spatial and temporal. Objective quality assessment methods for spatial degradation have been studied extensively, but methods for temporal degradation have hardly been examined even though it occurs frequently due to network degradation and has a large impact on subjective quality. In this paper, we propose an objective quality assessment method for temporal degradation. Our approach is to aggregate multiple freeze distortions into an equivalent freeze distortion and then derive the objective video quality from the equivalent freeze distortion. Specifically, our method considers the total length of all freeze distortions in a video sequence as the length of the equivalent single freeze distortion. In addition, we propose a method using the perceptual characteristics of short freeze distortions. We verified that our method can estimate the objective video quality well within the deviation of subjective video quality.

  2. A content-based digital image watermarking scheme resistant to local geometric distortions

    International Nuclear Information System (INIS)

    Yang, Hong-ying; Chen, Li-li; Wang, Xiang-yang

    2011-01-01

    Geometric distortion is known as one of the most difficult attacks to resist, as it can desynchronize the location of the watermark and hence cause incorrect watermark detection. Geometric distortion can be decomposed into two classes: global affine transforms and local geometric distortions. Most countermeasures proposed in the literature only address the problem of global affine transforms. It is a challenging problem to design a robust image watermarking scheme against local geometric distortions. In this paper, we propose a new content-based digital image watermarking scheme with good visual quality and reasonable resistance against local geometric distortions. Firstly, the robust feature points, which can survive various common image processing and global affine transforms, are extracted by using a multi-scale SIFT (scale invariant feature transform) detector. Then, the affine covariant local feature regions (LFRs) are constructed adaptively according to the feature scale and local invariant centroid. Finally, the digital watermark is embedded into the affine covariant LFRs by modulating the magnitudes of discrete Fourier transform (DFT) coefficients. By binding the watermark with the affine covariant LFRs, the watermark detection can be done without synchronization error. Experimental results show that the proposed image watermarking is not only invisible and robust against common image processing operations such as sharpening, noise addition, and JPEG compression, etc, but also robust against global affine transforms and local geometric distortions

  3. The role of self-serving cognitive distortions in reactive and proactive aggression.

    Science.gov (United States)

    Oostermeijer, Sanne; Smeets, Kirsten C; Jansen, Lucres M C; Jambroes, Tijs; Rommelse, Nanda N J; Scheepers, Floor E; Buitelaar, Jan K; Popma, Arne

    2017-12-01

    Aggression is often divided into reactive and proactive forms. Reactive aggression is typically thought to encompass 'blaming others' and 'assuming the worst', while proactive aggression relates to 'self-centeredness' and 'minimising/mislabelling'. Our aim was to evaluate relationships between reactive and proactive aggression and cognitive distortions and to test whether changes in these cognitions relate to changes in aggression. A total of 151 adolescents (60% boys; mean age 15.05 years, standard deviation 1.28) were enrolled in an evidence-based intervention to reduce aggression. Due to attrition and anomalous responses, the post-intervention sample involved 80 adolescents. Correlation and linear regression analyses were used to investigate the relationship between cognitive distortions and aggression. Blaming others was related to reactive aggression before the intervention, while all cognitive distortions were related to proactive aggression both pre- and post-intervention. Changes in reactive aggression were uniquely predicted by blaming others, while changes in proactive aggression were predicted by changes in cognitive distortions overall. To our knowledge, this study is the first to show a relationship between changes in cognitive distortions and changes in aggression. Treatment of reactive aggression may benefit from focusing primarily on reducing cognitive distortions involving misattribution of blame to others. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  4. Structure of the fully ferroelectric/fully ferroelastic orthohombic room-temperature phase of cobalt bromine boracite, Co3B7O13Br and nickel chlorine boracite, Ni3B7O13Cl

    International Nuclear Information System (INIS)

    Kubel, F.; Mao, S.Y.; Schmid, H.

    1992-01-01

    The X-ray crystal structures of optically controlled single-domain crystals of fully ferroelectric/fully ferroelastic cobalt bromine boracite, Co 3 B 7 O 13 Br (Co-Br) at 298 K [M r = 540.38, orthorhombic, Pca2 1 , a = 8.5614 (2), b = 8.5657 (2), c = 12.1196 (3) A, V = 888.78 (4) A 3 , Z = 4, D x = 4.04 Mg m -3 , λ(Mo Kα) = 0.7107 A, μ = 10.61 mm -1 , F(000) = 1020, R = 7.0, wR = 5.4%, 2824 reflections] and of nickel chlorine boracite, Ni 3 B 7 O 13 Cl (Ni-Cl) at 298 K [M r = 495.25, orthorhombic, Pca2 1 , a = 8.5105 (4), b = 8.4984 (4), c = 12.0324 (5) A, V = 870.25 (7) A 3 , Z = 4, D x = 3.78 Mg m -3 , λ(Mo Kα) = 0.7107 A, μ = 6.8 mm -1 , F(000) = 960, R = 3.5, wR = 3.1%, 2082 reflections] are reported. The metal surroundings of Co-Br and Ni-Cl were analyzed in detail and show two metal sites (Co2, Co3; Ni2, Ni3) with chemically similar environments and one metal site (Co1; Ni1) with a different environment. Six B atoms have a tetrahedral or slightly distorted tetrahedral coordination, whereas one B atom (B4) has triangular surroundings in both compounds. (orig.)

  5. Distortion Analysis Toolkit—A Software Tool for Easy Analysis of Nonlinear Audio Systems

    Directory of Open Access Journals (Sweden)

    Jyri Pakarinen

    2010-01-01

    Full Text Available Several audio effects devices deliberately add nonlinear distortion to the processed signal in order to create a desired sound. When creating virtual analog models of nonlinearly distorting devices, it would be very useful to carefully analyze the type of distortion, so that the model could be made as realistic as possible. While traditional system analysis tools such as the frequency response give detailed information on the operation of linear and time-invariant systems, they are less useful for analyzing nonlinear devices. Furthermore, although there do exist separate algorithms for nonlinear distortion analysis, there is currently no unified, easy-to-use tool for rapid analysis of distorting audio systems. This paper offers a remedy by introducing a new software tool for easy analysis of distorting effects. A comparison between a well-known guitar tube amplifier and two commercial software simulations is presented as a case study. This freely available software is written in Matlab language, but the analysis tool can also run as a standalone program, so the user does not need to have Matlab installed in order to perform the analysis.

  6. Performance and Adaptive Surge-Preventing Acceleration Prediction of a Turboshaft Engine under Inlet Flow Distortion

    Directory of Open Access Journals (Sweden)

    Cao Dalu

    2017-01-01

    Full Text Available The intention of this paper is to research the inlet flow distortion influence on overall performance of turboshaft engine and put forward a method called Distortion Factor Item (DFI to improve the fuel supply plan for surge-preventing acceleration when turboshaft engine suddenly encounters inlet flow distortion. Based on the parallel compressor theory, steady-state and transition-state numerical simulation model of turboshaft engine with sub-compressor model were established for researching the influence of inlet flow distortion on turboshaft engine. This paper made a detailed analysis on the compressor operation from the aspects of performance and stability, and then analyzed the overall performance and dynamic response of the whole engine under inlet flow distortion. Improved fuel supply plan with DFI method was applied to control the acceleration process adaptively when encountering different inlet flow distortion. Several simulation examples about extreme natural environments were calculated to testify DFI method’s environmental applicability. The result shows that the inlet flow distortion reduces the air inflow and decreases the surge margin of compressor, and increase the engine exhaust loss. Encountering inlet flow distortion has many adverse influences such as sudden rotor acceleration, turbine inlet temperature rise and power output reduction. By using improved fuel supply plan with DFI, turboshaft engine above-idle acceleration can avoid surge effectively under inlet flow distortion with environmental applicability.

  7. Models of brachial to finger pulse wave distortion and pressure decrement.

    Science.gov (United States)

    Gizdulich, P; Prentza, A; Wesseling, K H

    1997-03-01

    To model the pulse wave distortion and pressure decrement occurring between brachial and finger arteries. Distortion reversion and decrement correction were also our aims. Brachial artery pressure was recorded intra-arterially and finger pressure was recorded non-invasively by the Finapres technique in 53 adult human subjects. Mean pressure was subtracted from each pressure waveform and Fourier analysis applied to the pulsations. A distortion model was estimated for each subject and averaged over the group. The average inverse model was applied to the full finger pressure waveform. The pressure decrement was modelled by multiple regression on finger systolic and diastolic levels. Waveform distortion could be described by a general, frequency dependent model having a resonance at 7.3 Hz. The general inverse model has an anti-resonance at this frequency. It converts finger to brachial pulsations thereby reducing average waveform distortion from 9.7 (s.d. 3.2) mmHg per sample for the finger pulse to 3.7 (1.7) mmHg for the converted pulse. Systolic and diastolic level differences between finger and brachial arterial pressures changed from -4 (15) and -8 (11) to +8 (14) and +8 (12) mmHg, respectively, after inverse modelling, with pulse pressures correct on average. The pressure decrement model reduced both the mean and the standard deviation of systolic and diastolic level differences to 0 (13) and 0 (8) mmHg. Diastolic differences were thus reduced most. Brachial to finger pulse wave distortion due to wave reflection in arteries is almost identical in all subjects and can be modelled by a single resonance. The pressure decrement due to flow in arteries is greatest for high pulse pressures superimposed on low means.

  8. Distorted Images of Islam: The Case of Former Yugoslavia

    Directory of Open Access Journals (Sweden)

    Fikret Karčić

    1995-12-01

    Full Text Available Since the 1980s, the former Yugoslavia has witnessed increasing distortion of images of Islam in academic publications, media, and public life. This process has been connected with the changes in power structure in Serbia, and with the new ideological orientation of the Serbian leadership which opted for national exclusivism (ethno fascism. The Muslims have been portrayed as a threat to the realization of the Serbian hegemonist project. In order to mobilize domestic public opinion against the Muslims and to justify future acts against them in the eyes of the West, the Serbian leadership needed an image of Islam as a totalitarian, inherently violent, and culturally alien system on European soil. Such a distorted image has been provided by some influential Serbian orientalists, the Orthodox Church, and some historians. Due to these distortions, these Serbian intellectual circles have become accomplices in the crimes committed against the Muslims in former Yugoslavia during 1992-1995.

  9. Iterative Object Localization Algorithm Using Visual Images with a Reference Coordinate

    Directory of Open Access Journals (Sweden)

    We-Duke Cho

    2008-09-01

    Full Text Available We present a simplified algorithm for localizing an object using multiple visual images that are obtained from widely used digital imaging devices. We use a parallel projection model which supports both zooming and panning of the imaging devices. Our proposed algorithm is based on a virtual viewable plane for creating a relationship between an object position and a reference coordinate. The reference point is obtained from a rough estimate which may be obtained from the preestimation process. The algorithm minimizes localization error through the iterative process with relatively low-computational complexity. In addition, nonlinearity distortion of the digital image devices is compensated during the iterative process. Finally, the performances of several scenarios are evaluated and analyzed in both indoor and outdoor environments.

  10. Study of Noise Effects on Rabbit's Hearing Status Using Distortion Product Otoacoustic Emissions

    Directory of Open Access Journals (Sweden)

    Mojdeh Salehnia

    2011-09-01

    Full Text Available Background and Aim: Noise-induced hearing loss is the most common problem in industrial areas. This study aimed to determine effects of excessive noise exposure on measurable characteristics of distortion product otoacoustic emissions (DPOAEs in rabbits.Methods: The study was carried out on 12 adult male New Zealand White rabbits including case group - exposed to 500-8000 Hz broadband white noise with 100 dBA SPL for 8 hours per day in 5 consecutive days - and control group. After three days period of acclimatization to the experimental condition, rabbits hearing status in each group were measured by distortion product otoacoustic emissions on days zero means before the study was initiated as a baseline, eight, one hour after the latest exposure to noise, and ten. The recorded results were analyzed using SPSS software.Results: Highest mean distortion product otoacoustic emissions amplitudes in case group were allocated to frequencies of 5888.50 Hz, 8166.50 Hz, 9855.00 Hz, 3956.00 Hz, and 3098.50 Hz, respectively. However, the lowest mean distortion product otoacoustic emissions amplitude was related to frequency of 588.00 Hz (p=0.001.Conclusion: This study revealed that distortion product otoacoustic emissions amplitude shifts due to noise occur first in high and then in middle frequencies. Additionally, exposure to noise can decrease distortion product otoacoustic emissions amplitudes. We conclude that distortion product otoacoustic emissions can be a reliable test for estimating personal susceptibility to noise-induced hearing loss.

  11. High-resolution Al L2,3-edge x-ray absorption near edge structure spectra of Al-containing crystals and glasses: coordination number and bonding information from edge components

    International Nuclear Information System (INIS)

    Weigel, C; Calas, G; Cormier, L; Galoisy, L; Henderson, G S

    2008-01-01

    High-resolution Al L 2,3 -edge x-ray absorption near edge structure (XANES) spectra have been measured in selected materials containing aluminium in 4-, 5- and 6-coordination. A shift of 1.5 eV is observed between the onset of [4] Al and [6] Al L 2,3 -edge XANES, in agreement with the magnitude of the shift observed at the Al K-edge. The differences in the position and shape of low-energy components of Al L 2,3 -edge XANES spectra provide a unique fingerprint of the geometry of the Al site and of the nature of Al-O chemical bond. The high resolution allows the calculation of electronic parameters such as the spin-orbit coupling and exchange energy using intermediate coupling theory. The electron-hole exchange energy decreases in tetrahedral as compared to octahedral symmetry, in relation with the increased screening of the core hole in the former. Al L 2,3 -edge XANES spectra confirm a major structural difference between glassy and crystalline NaAlSi 2 O 6 , with Al in 4- and 6-coordination, respectively, Al coordination remaining unchanged in NaAl 1-x Fe x Si 2 O 6 glasses, as Fe is substituted for Al

  12. A Control Architecture to Coordinate Distributed Generators and Active Power Filters Coexisting in a Microgrid

    DEFF Research Database (Denmark)

    Hashempour, Mohammad M.; Firoozabadi, Mehdi Savaghebi; Quintero, Juan Carlos Vasquez

    2016-01-01

    This paper proposes a control architecture of distributed generators (DGs) inverters and shunt active power filters (APFs) in microgrids to compensate voltage harmonics in a coordinated way. For this, a hierarchical control structure is proposed that includes two control levels. The primary (local......) control consists of power controllers, selective virtual impedance loops and proportional-resonant (PR) voltage/current controllers. The secondary (central) control manages the compensation level of voltage harmonic distortion of sensitive load bus (SLB). Compensation of SLB harmonics by control of DGs...... excessive harmonics or overloading of interface inverters. Effectiveness of the proposed control scheme is demonstrated through simulation studies....

  13. A control architecture to coordinate distributed generators and active power filters coexisting in a microgrid

    DEFF Research Database (Denmark)

    Hashempour, Mohammad M.; Savaghebi, Mehdi; Quintero, Juan Carlos Vasquez

    2016-01-01

    This paper proposes a control architecture of distributed generators (DGs) inverters and shunt active power filters (APFs) in microgrids to compensate voltage harmonics in a coordinated way. For this, a hierarchical control structure is proposed that includes two control levels. The primary (local......) control consists of power controllers, selective virtual impedance loops and proportional-resonant (PR) voltage/current controllers. The secondary (central) control manages the compensation level of voltage harmonic distortion of sensitive load bus (SLB). Compensation of SLB harmonics by control of DGs...... excessive harmonics or overloading of interface inverters. Effectiveness of the proposed control scheme is demonstrated through simulation studies....

  14. Analytical evaluation of nonlinear distortion effects on multicarrier signals

    CERN Document Server

    Araújo, Theresa

    2015-01-01

    Due to their ability to support reliable high quality of service as well as spectral and power efficiency, multicarrier modulation systems have found increasing use in modern communications services. However, one of the main drawbacks of these systems is their vulnerability to nonlinear distortion effects. Analytical Evaluation of Nonlinear Distortion Effects on Multicarrier Signals details a unified approach to well-known analytical results on memoryless nonlinearities that takes advantage of the Gaussian behavior of multicarrier signals.Sharing new insights into the behavior of nonlinearly d

  15. Tetrahedral silsesquioxane-C2H2Ti complex for hydrogen storage

    Science.gov (United States)

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

    2018-04-01

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

  16. Distortional Mechanics of Thin-Walled Structural Elements

    DEFF Research Database (Denmark)

    Andreassen, Michael Joachim

    In several industries such as civil, mechanical, and aerospace, thin-walled structures are often used due to the high strength and effective use of the materials. Because of the increased consumption there has been increasing focus on optimizing and more detailed calculations. However, finely...... number of degrees of freedom. This means that the classical Vlasov thin-walled beam theory for open and closed cross sections is generalized as part of a semi-discretization process by including distortional displacement fields. A novel finite-element-based displacement approach is used in combination...... by discretization of the cross section are now solved analytically and the formulation is valid without special attention and approximation also for closed single or multi-cell cross sections. Furthermore, the found eigenvalues have clear mechanical meaning, since they represent the attenuation of the distortional...

  17. Numerical simulation of distorted crystal Darwin width

    International Nuclear Information System (INIS)

    Wang Li; Xu Zhongmin; Wang Naxiu

    2012-01-01

    A new numerical simulation method according to distorted crystal optical theory was used to predict the direct-cooling crystal monochromator optical properties(crystal Darwin width) in this study. The finite element analysis software was used to calculate the deformed displacements of DCM crystal and to get the local reciprocal lattice vector of distorted crystal. The broadening of direct-cooling crystal Darwin width in meridional direction was estimated at 4.12 μrad. The result agrees well with the experimental data of 5 μrad, while it was 3.89 μrad by traditional calculation method of root mean square (RMS) of the slope error in the center line of footprint. The new method provides important theoretical support for designing and processing of monochromator crystal for synchrotron radiation beamline. (authors)

  18. Harmonic analysis for the characterization and correction of geometric distortion in MRI

    International Nuclear Information System (INIS)

    Tadic, Tony; Stanescu, Teodor; Jaffray, David A.

    2014-01-01

    Purpose: Magnetic resonance imaging (MRI) is gaining widespread use in radiation therapy planning, patient setup verification, and real-time guidance of radiation delivery. Successful implementation of these technologies relies on the development of simple and efficient methods to characterize and monitor the geometric distortions arising due to system imperfections and gradient nonlinearities. To this end, the authors present the theory and validation of a novel harmonic approach to the quantification of system-related distortions in MRI. Methods: The theory of spatial encoding in MRI is applied to demonstrate that the 3D distortion vector field (DVF) is given by the solution of a second-order boundary value problem (BVP). This BVP is comprised of Laplace’s equation and a limited measurement of the distortion on the boundary of a specified region of interest (ROI). An analytical series expansion solving this BVP within a spherical ROI is obtained, and a statistical uncertainty analysis is performed to determine how random errors in the boundary measurements propagate to the ROI interior. This series expansion is then evaluated to obtain volumetric DVF mappings that are compared to reference data obtained on a 3 T full-body scanner. This validation is performed within two spheres of 20 cm diameter (one centered at the scanner origin and the other offset +3 cm along each of the transverse directions). Initially, a high-order mapping requiring measurements at 5810 boundary points is used. Then, after exploring the impact of the boundary sampling density and the effect of series truncation, a reduced-order mapping requiring measurements at 302 boundary points is evaluated. Results: The volumetric DVF mappings obtained from the harmonic analysis are in good agreement with the reference data. Following distortion correction using the high-order mapping, the authors estimate a reduction in the mean distortion magnitude from 0.86 to 0.42 mm and from 0.93 to 0.39 mm

  19. Correction of distortion of MR pictures for MR-guided robotic sterotactic procedures

    International Nuclear Information System (INIS)

    Jonckheere, E.A.; Kwoh, Y.S.

    1988-01-01

    Ever since magnetic resonance (MR) invaded the medical imaging field, it has played an increasingly important role and is even currently being considered for stereotactic guidance of probes in the brain. While MR pictures indeed convey more clinical information than CT, the geometry of MR pictures is, unfortunately, not as accurate as the geometry of CT pictures. In other words, if a square grid phantom is scanned, then the CT picture will show a square grid, while the MR picture will rather reveal a distorted grid. This distortion is primarily due to small variations in the static magnetic field. This small distortion does not impede radiological diagnosis; however, it is a source of concern if one contemplates utilizing the MR pictures for accurate stereotactic positioning of a probe at a very precise point in the brain. Another area of application where the distortion of the MR picture should be compensated for is the superposition of CT and MR pictures so that both informations could be used for diagnosis or stereotactic purposes. This paper essentially addresses the nonlinear distortion of MR pictures and how it could be compensated for through software manipulation of the MR picture

  20. SBS [stimulated Brillouin scattering] pulse distortion in multimode optical fibers

    International Nuclear Information System (INIS)

    Smith, J.R.; Hawkins, R.J.; Laumann, C.W.; Hatch, J.

    1989-01-01

    We have observed sever temporal-pulse-shape distortion due to stimulated Brillouin scattering (SBS) in multimode optical fibers used to diagnose 351 m laser pulses on the Nova laser system. Our measurements can be fit by a basic model of SBS and provide a clear indication of the intensity and temporal regimes where significant SBS-induced temporal-pulse-shape distortion can be avoided. 15 refs., 3 figs., 1 tab

  1. Pulse Distortion in Saturated Fiber Optical Parametric Chirped Pulse Amplification

    DEFF Research Database (Denmark)

    Lali-Dastjerdi, Zohreh; Da Ros, Francesco; Rottwitt, Karsten

    2012-01-01

    Fiber optical parametric chirped pulse amplification is experimentally compared for different chirped pulses in the picosecond regime. The amplified chirped pulses show distortion appearing as pedestals after recompression when the amplifier is operated in saturation.......Fiber optical parametric chirped pulse amplification is experimentally compared for different chirped pulses in the picosecond regime. The amplified chirped pulses show distortion appearing as pedestals after recompression when the amplifier is operated in saturation....

  2. Aluminium hydro(oxide)–based (AO) adsorbent for defluoridation of ...

    African Journals Online (AJOL)

    High resolution 27Al Magic Angle Spinning Nuclear Magnetic Resonance (27Al MAS NMR) spectra of AO, AA, and PB were recorded, to analyse the coordination geometry of solid Al species and the results showed that aluminium is coordinated octahedrally and tetrahedrally in all cases. Regeneration experiments showed ...

  3. The Crystal Structure of Cu4Bi4Se9

    DEFF Research Database (Denmark)

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

    2002-01-01

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

  4. Analysis of welding distortion due to narrow-gap welding of upper port plug

    International Nuclear Information System (INIS)

    Biswas, Pankaj; Mandal, N.R.; Vasu, Parameswaran; Padasalag, Shrishail B.

    2010-01-01

    Narrow-gap welding is a low distortion welding process. This process allows very thick plates to be joined using fewer weld passes as compared to conventional V-groove or double V-groove welding. In case of narrow-gap arc welding as the heat input and weld volume is low, it reduces thermal stress leading to reduction of both residual stress and distortion. In this present study the effect of narrow-gap welding was studied on fabrication of a scaled down port plug in the form of a trapezoidal box made of 10 mm thick mild steel (MS) plates using gas tungsten arc welding (GTAW). Inherent strain method was used for numerical prediction of resulting distortions. The numerical results compared well with that of the experimentally measured distortion. The validated numerical scheme was used for prediction of weld induced distortion due to narrow-gap welding of full scale upper port plug made of 60 mm thick SS316LN material as is proposed for use in ITER project. It was observed that it is feasible to fabricate the said port plug keeping the distortions minimum within about 7 mm using GTAW for root pass welding followed by SMAW for filler runs.

  5. Simulation and experimental study on distortion of butt and T-joints using WELD PLANNER

    International Nuclear Information System (INIS)

    Sulaiman, Mohd Shahar; Manurung, Yupiter HP; Rahim, Mohammad Ridzwan Abdul Mohd; Redza, Ridhwan; Lidam, Robert Ngendang Ak.; Abas, Sunhaji Kiyai; Tham, Ghalib; Haruman, Esa; Chau, Chan Yin

    2011-01-01

    This paper investigates the capability of linear thermal elastic numerical analysis to predict the welding distortion that occurs due to GMAW process. Distortion is considered as the major stumbling block that can adversely affect the dimensional accuracy and thus lead to expensive corrective work. Hence, forecast of distortion is crucially needed and ought to be determined in advance in order to minimize the negative effects, improve the quality of welded parts and finally to reduce the production costs. In this study, the welding deformation was simulated by using relatively new FEM software WELD PLANNER developed by ESI Group. This novel Welding Simulation Solution was employed to predict welding distortion induced in butt and T-joints with thickness of 4 mm. Low carbon steel material was used for the simulation and experimental study. A series of experiments using fully automated welding process were conducted for verification purpose to measure the distortion. By comparing between the simulation and experimental results, it was found out that this program code offered fast solution analysis time in estimating weld induced distortion within acceptable accuracy

  6. Simulation and experimental study on distortion of butt and T-joints using WELD PLANNER

    Energy Technology Data Exchange (ETDEWEB)

    Sulaiman, Mohd Shahar; Manurung, Yupiter HP; Rahim, Mohammad Ridzwan Abdul Mohd; Redza, Ridhwan; Lidam, Robert Ngendang Ak.; Abas, Sunhaji Kiyai; Tham, Ghalib [Universiti Teknologi MARA, Kuala Lumpur (Malaysia); Haruman, Esa [Bakrie University, Jakarta (Indonesia); Chau, Chan Yin [ESI Group, Kuala Lumpur (Malaysia)

    2011-10-15

    This paper investigates the capability of linear thermal elastic numerical analysis to predict the welding distortion that occurs due to GMAW process. Distortion is considered as the major stumbling block that can adversely affect the dimensional accuracy and thus lead to expensive corrective work. Hence, forecast of distortion is crucially needed and ought to be determined in advance in order to minimize the negative effects, improve the quality of welded parts and finally to reduce the production costs. In this study, the welding deformation was simulated by using relatively new FEM software WELD PLANNER developed by ESI Group. This novel Welding Simulation Solution was employed to predict welding distortion induced in butt and T-joints with thickness of 4 mm. Low carbon steel material was used for the simulation and experimental study. A series of experiments using fully automated welding process were conducted for verification purpose to measure the distortion. By comparing between the simulation and experimental results, it was found out that this program code offered fast solution analysis time in estimating weld induced distortion within acceptable accuracy.

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

    Science.gov (United States)

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

    2016-01-01

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

  8. Distortion of DNA Origami on Graphene Imaged with Advanced TEM Techniques.

    Science.gov (United States)

    Kabiri, Yoones; Ananth, Adithya N; van der Torre, Jaco; Katan, Allard; Hong, Jin-Yong; Malladi, Sairam; Kong, Jing; Zandbergen, Henny; Dekker, Cees

    2017-08-01

    While graphene may appear to be the ultimate support membrane for transmission electron microscopy (TEM) imaging of DNA nanostructures, very little is known if it poses an advantage over conventional carbon supports in terms of resolution and contrast. Microscopic investigations are carried out on DNA origami nanoplates that are supported onto freestanding graphene, using advanced TEM techniques, including a new dark-field technique that is recently developed in our lab. TEM images of stained and unstained DNA origami are presented with high contrast on both graphene and amorphous carbon membranes. On graphene, the images of the origami plates show severe unwanted distortions, where the rectangular shape of the nanoplates is significantly distorted. From a number of comparative control experiments, it is demonstrated that neither staining agents, nor screening ions, nor the level of electron-beam irradiation cause this distortion. Instead, it is suggested that origami nanoplates are distorted due to hydrophobic interaction of the DNA bases with graphene upon adsorption of the DNA origami nanoplates. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Correcting geometric and photometric distortion of document images on a smartphone

    Science.gov (United States)

    Simon, Christian; Williem; Park, In Kyu

    2015-01-01

    A set of document image processing algorithms for improving the optical character recognition (OCR) capability of smartphone applications is presented. The scope of the problem covers the geometric and photometric distortion correction of document images. The proposed framework was developed to satisfy industrial requirements. It is implemented on an off-the-shelf smartphone with limited resources in terms of speed and memory. Geometric distortions, i.e., skew and perspective distortion, are corrected by sending horizontal and vertical vanishing points toward infinity in a downsampled image. Photometric distortion includes image degradation from moiré pattern noise and specular highlights. Moiré pattern noise is removed using low-pass filters with different sizes independently applied to the background and text region. The contrast of the text in a specular highlighted area is enhanced by locally enlarging the intensity difference between the background and text while the noise is suppressed. Intensive experiments indicate that the proposed methods show a consistent and robust performance on a smartphone with a runtime of less than 1 s.

  10. Luminosity Loss due to Beam Distortion and the Beam-Beam Instability

    CERN Document Server

    Wu, Juhao; Raubenheimer, Tor O; Seryi, Andrei; Sramek, Christopher K

    2005-01-01

    In a linear collider, sources of emittance dilution such as transverse wakefields or dispersive errors will couple the vertical phase space to the longitudinal position within the beam (the so-called ‘banana effect'). When the Intersection Point (IP) disruption parameter is large, these beam distortions will be amplified by a single bunch kink instability which will lead to luminosity loss. We study this phenomena both analytically using linear theory and via numerical simulation. In particular, we examine the dependence of the luminosity loss on the wavelength of the beam distortions and the disruption parameter. This analysis may prove useful when optimizing the vertical disruption parameter for luminosity operation with given beam distortions.

  11. Distortion of Schwarzschild-anti-de Sitter black holes to black strings

    International Nuclear Information System (INIS)

    Tomimatsu, Akira

    2005-01-01

    Motivated by the existence of black holes with various topologies in four-dimensional spacetimes with a negative cosmological constant, we study axisymmetric static solutions describing any large distortions of Schwarzschild-anti-de Sitter black holes parametrized by the mass m. Under the approximation such that m is much larger than the anti-de Sitter radius, it is found that a cylindrically symmetric black string is obtained as a special limit of distorted spherical black holes. Such a prolonged distortion of the event horizon connecting a Schwarzschild-anti-de Sitter black hole to a black string is allowed without violating both the usual black hole thermodynamics and the hoop conjecture for the horizon circumference

  12. Study and distortion correction in a selective dissemination of information system

    International Nuclear Information System (INIS)

    Freitas Queiroz, I.O. de.

    1978-03-01

    The Selective Dissemination of Information (S D I) system of the Nuclear Information Center (Brazil) was presented, and some parameters, for the evaluation of performance and distortion were defined. These parameters were quantified for a sample of 35 user's profiles and 25.818 documents. Possible distortion factors were analysed, and some were selected, so that they could be automatically processed. The 35 profiles were up-dated by use of two algorithms developed for this purpose. For the up-dated profiles new values of the parameters were determined and showed that distortion decreased and efficiency improved. Critical points of the system were identified and new studies, on topics investigated superficially, were proposed. (Author) [pt

  13. 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.

  14. Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide

    Directory of Open Access Journals (Sweden)

    Angela Metz

    2017-11-01

    Full Text Available Three new zinc complexes with monoamine–guanidine hybridligands have been prepared, characterized by X-ray crystallography and NMR spectroscopy, and tested in the solvent-free ring-opening polymerization of rac-lactide. Initially the ligands were synthesized from camphoric acid to obtain TMGca and DMEGca and then reacted with zinc(II halides to form zinc complexes. All complexes have a distorted tetrahedral coordination. They were utilized as catalysts in the solvent-free polymerization of technical rac-lactide at 150 °C. Colorless polylactide (PLA can be produced and after 2 h conversion up to 60% was reached. Furthermore, one zinc chlorido complex was tested with different qualities of lactide (technical and recrystallized and with/without the addition of benzyl alcohol as a co-initiator. The kinetics were monitored by in situ FT-IR or 1H NMR spectroscopy. All kinetic measurements show first-order behavior with respect to lactide. The influence of the chiral complexes on the stereocontrol of PLA was examined. Moreover, with MALDI-ToF measurements the end-group of the obtained polymer was determined. DFT and NBO calculations give further insight into the coordination properties. All in all, these systems are robust against impurities and water in the lactide monomer and show great catalytic activity in the ROP of lactide.

  15. Synthesis, Structure and Electrochemistry of Tetranuclear Oxygen-Centered Copper(II) Clusters with Acetylacetone and Benz-pyrazole Hydrolyzed Derivatives as Ligand.

    Science.gov (United States)

    Vafazadeh, Rasoul; Willis, Anthony C

    2016-01-01

    Two copper(II) clusters Cu(4)OCl(6)(pyrazole)4, 1, and Cu(4)OBr(6)(Br-pyrazole)4, 2, have been synthesized by reacting acetylacetone and benzohydrazide (1:1 ratio) with CuX(2) (X = Cl for 1 and X= Br for 2) in methanol solutions. The structures of both clusters have been established by X-ray crystallography. The clusters contain four Cu, one O, six μ(2)-X atoms, and four pyrazole ligands. The pyrazoles was prepared in situ by the reaction of acetylacetone with benzohydrazide in methanol under reflux. In 2, the methine hydrogens of the pyrazole ligands have been replaced by bromine atoms. The four copper atoms encapsulate the central O atom in a tetrahedral arrangement. All copper atoms are five-coordinate and have similar coordination environments with slightly distorted trigonal bipyramidal geometry. The cyclic voltammogram of the clusters 1 and 2 show a one-electron quasi-reversible reduction wave in the region 0.485 to 0.731 V, and a one-electron quasi-reversible oxidation wave in the region 0.767 to 0.898 V. In 1, one irreversible oxidative response is observed on the positive of side of the voltammogram at 1.512 V and this can be assigned to Cu(II) to Cu(III) oxidation.

  16. Syntheses, Magnetic and Spectral Studies on the Coordination Compounds of the Polystyrene-anchored Thiazolidin-4-one

    Directory of Open Access Journals (Sweden)

    Dinesh Kumar

    2012-01-01

    Full Text Available The reaction between polystyrene 3-formylsalicylate and thiophene-2-carboxylic acid hydrazide in DMF in the presence of ethyl acetate results in the formation of polystyrene N-(2-carbamoylthienyl-3'-carboxy-2'-hydroxybenzylideneimine (I. A benzene suspension of I reacts with mercaptoacetic acid and forms the polystyrene N-(2-carbamoylthienyl-C-(3'-carboxy-2'-hydroxyphenyl thiazolidin-4-one, PSCH2–LH2 (II. A DMF suspension of II reacts with Zn(II, Co(II, Cu(II, Zr(OH2(IV and MoO2(VI ions and forms the corresponding polystyrene-anchored coordination compounds, [PSCH2–LZn(DMF] (III, [PSCH2–LCo(DMF3] (IV, [PSCH2–LHCu(OAc] (V, [PSCH2–LH2Zr(OH2(OAc2] (VI and [PSCH2–LHMoO2(acac] (VII respectively. The polystyrene-anchored coordination compounds have been characterized on the basis of elemental analyses, spectral (IR, reflectance, ESR studies and magnetic susceptibility measurements. II acts as a neutral tridentate ONS donor ligand in VI, a monobasic bidentate OS donor ligand in VII, a monobasic tridentate ONS donor ligand in V and a dibasic tridentate ONO donor ligand in III and IV. The acetato groups behave as monodentate ligands in V and VI. A square-planar structure for V, a tetrahedral structure for III, an octahedral structure for IV and VII and a pentagonal-bipyramidal structure for VI are suggested.

  17. Numerical and semi-analytical modelling of the process induced distortions in pultrusion

    DEFF Research Database (Denmark)

    Baran, Ismet; Carlone, P.; Hattel, Jesper Henri

    2013-01-01

    , the transient distortions are inferred adopting a semi-analytical procedure, i.e. post processing numerical results by means of analytical methods. The predictions of the process induced distortion development using the aforementioned methods are found to be qualitatively close to each other...

  18. The lattice distortion effect for zinc-blende CrAs and CrSb

    International Nuclear Information System (INIS)

    Yamana, Keita; Geshi, Masaaki; Tsukamoto, Hidekazu; Uchida, Ichiro; Shirai, Masafumi; Kusakabe, Koichi; Suzuki, Naoshi

    2004-01-01

    We investigated the stability of the ferromagnetism of CrAs and CrSb in the zinc-blende structure against the lattice distortion, systematically. A calculation within the generalized gradient approximation using a full potential linearized augmented plane wave method was performed. We compared the ferromagnetic state and the antiferromagnetic state assuming tetragonal distortion with the lattice constants a and c changing independently and determined the spin polarization ratio in the ferromagnetic phase. The result shows that complete spin polarization (half-metallic ferromagnetism) remains stable even in the presence of large tetragonal distortion. On the other hand, our calculation shows that two monolayers of CrAs is enough to produce a half-metallic state in the CrAs/GaAs multilayer. Thus, the present result suggests that the half-metallic nature persists in various atomic-scale superlattices made of distorted CrAs or CrSb

  19. Fish's Muscles Distortion and Pectoral Fins Propulsion of Lift-Based Mode

    Science.gov (United States)

    Yang, S. B.; Han, X. Y.; Qiu, J.

    As a sort of MPF(median and/or paired fin propulsion), pectoral fins propulsion makes fish easier to maneuver than other propulsion, according to the well-established classification scheme proposed by Webb in 1984. Pectoral fins propulsion is classified into oscillatory propulsion, undulatory propulsion and compound propulsion. Pectoral fins oscillatory propulsion, is further ascribable to two modes: drag-based mode and lift-based mode. And fish exhibits strong cruise ability by using lift-based mode. Therefore to robot fish design using pectoral fins lift-based mode will bring a new revolution to resources exploration in blue sea. On the basis of the wave plate theory, a kinematic model of fish’s pectoral fins lift-based mode is established associated with the behaviors of cownose ray (Rhinoptera bonasus) in the present work. In view of the power of fish’s locomotion from muscle distortion, it would be helpful benefit to reveal the mechanism of fish’s locomotion variation dependent on muscles distortion. So this study puts forward the pattern of muscles distortion of pectoral fins according to the character of skeletons and muscles of cownose ray in morphology and simulates the kinematics of lift-based mode using nonlinear analysis software. In the symmetrical fluid field, the model is simulated left-right symmetrically or asymmetrically. The results qualitatively show how muscles distortion determines the performance of fish locomotion. Finally the efficient muscles distortion associated with the preliminary dynamics is induced.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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