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Sample records for polarization basis set

  1. Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr.

    Science.gov (United States)

    Mitin, Alexander V

    2013-09-05

    The 2df polarization functions for the modified m6-31G basis sets of the third-row atoms Ga through Kr (Int J Quantum Chem, 2007, 107, 3028; Int J. Quantum Chem, 2009, 109, 1158) are proposed. The performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets were examined in molecular calculations carried out by the density functional theory (DFT) method with B3LYP hybrid functional, Møller-Plesset perturbation theory of the second order (MP2), quadratic configuration interaction method with single and double substitutions and were compared with those for the known 6-31G basis sets as well as with the other similar 641 and 6-311G basis sets with and without polarization functions. Obtained results have shown that the performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets are better in comparison with the performances of the known 6-31G, 6-31G(d,p) and 6-31G(2df,p) basis sets. These improvements are mainly reached due to better approximations of different electrons belonging to the different atomic shells in the modified basis sets. Applicability of the modified basis sets in thermochemical calculations is also discussed. © 2013 Wiley Periodicals, Inc.

  2. Symmetry Adapted Basis Sets

    DEFF Research Database (Denmark)

    Avery, John Scales; Rettrup, Sten; Avery, James Emil

    In theoretical physics, theoretical chemistry and engineering, one often wishes to solve partial differential equations subject to a set of boundary conditions. This gives rise to eigenvalue problems of which some solutions may be very difficult to find. For example, the problem of finding...... in such problems can be much reduced by making use of symmetry-adapted basis functions. The conventional method for generating symmetry-adapted basis sets is through the application of group theory, but this can be difficult. This book describes an easier method for generating symmetry-adapted basis sets...

  3. Dynamical basis set

    International Nuclear Information System (INIS)

    Blanco, M.; Heller, E.J.

    1985-01-01

    A new Cartesian basis set is defined that is suitable for the representation of molecular vibration-rotation bound states. The Cartesian basis functions are superpositions of semiclassical states generated through the use of classical trajectories that conform to the intrinsic dynamics of the molecule. Although semiclassical input is employed, the method becomes ab initio through the standard matrix diagonalization variational method. Special attention is given to classical-quantum correspondences for angular momentum. In particular, it is shown that the use of semiclassical information preferentially leads to angular momentum eigenstates with magnetic quantum number Vertical BarMVertical Bar equal to the total angular momentum J. The present method offers a reliable technique for representing highly excited vibrational-rotational states where perturbation techniques are no longer applicable

  4. Consistent gaussian basis sets of double- and triple-zeta valence with polarization quality of the fifth period for solid-state calculations.

    Science.gov (United States)

    Laun, Joachim; Vilela Oliveira, Daniel; Bredow, Thomas

    2018-02-22

    Consistent basis sets of double- and triple-zeta valence with polarization quality for the fifth period have been derived for periodic quantum-chemical solid-state calculations with the crystalline-orbital program CRYSTAL. They are an extension of the pob-TZVP basis sets, and are based on the full-relativistic effective core potentials (ECPs) of the Stuttgart/Cologne group and on the def2-SVP and def2-TZVP valence basis of the Ahlrichs group. We optimized orbital exponents and contraction coefficients to supply robust and stable self-consistent field (SCF) convergence for a wide range of different compounds. The computed crystal structures are compared to those obtained with standard basis sets available from the CRYSTAL basis set database. For the applied hybrid density functional PW1PW, the average deviations of calculated lattice constants from experimental references are smaller with pob-DZVP and pob-TZVP than with standard basis sets. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  5. Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes

    International Nuclear Information System (INIS)

    Spackman, Peter R.; Karton, Amir

    2015-01-01

    Coupled cluster calculations with all single and double excitations (CCSD) converge exceedingly slowly with the size of the one-particle basis set. We assess the performance of a number of approaches for obtaining CCSD correlation energies close to the complete basis-set limit in conjunction with relatively small DZ and TZ basis sets. These include global and system-dependent extrapolations based on the A + B/L α two-point extrapolation formula, and the well-known additivity approach that uses an MP2-based basis-set-correction term. We show that the basis set convergence rate can change dramatically between different systems(e.g.it is slower for molecules with polar bonds and/or second-row elements). The system-dependent basis-set extrapolation scheme, in which unique basis-set extrapolation exponents for each system are obtained from lower-cost MP2 calculations, significantly accelerates the basis-set convergence relative to the global extrapolations. Nevertheless, we find that the simple MP2-based basis-set additivity scheme outperforms the extrapolation approaches. For example, the following root-mean-squared deviations are obtained for the 140 basis-set limit CCSD atomization energies in the W4-11 database: 9.1 (global extrapolation), 3.7 (system-dependent extrapolation), and 2.4 (additivity scheme) kJ mol –1 . The CCSD energy in these approximations is obtained from basis sets of up to TZ quality and the latter two approaches require additional MP2 calculations with basis sets of up to QZ quality. We also assess the performance of the basis-set extrapolations and additivity schemes for a set of 20 basis-set limit CCSD atomization energies of larger molecules including amino acids, DNA/RNA bases, aromatic compounds, and platonic hydrocarbon cages. We obtain the following RMSDs for the above methods: 10.2 (global extrapolation), 5.7 (system-dependent extrapolation), and 2.9 (additivity scheme) kJ mol –1

  6. Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes

    Energy Technology Data Exchange (ETDEWEB)

    Spackman, Peter R.; Karton, Amir, E-mail: amir.karton@uwa.edu.au [School of Chemistry and Biochemistry, The University of Western Australia, Perth, WA 6009 (Australia)

    2015-05-15

    Coupled cluster calculations with all single and double excitations (CCSD) converge exceedingly slowly with the size of the one-particle basis set. We assess the performance of a number of approaches for obtaining CCSD correlation energies close to the complete basis-set limit in conjunction with relatively small DZ and TZ basis sets. These include global and system-dependent extrapolations based on the A + B/L{sup α} two-point extrapolation formula, and the well-known additivity approach that uses an MP2-based basis-set-correction term. We show that the basis set convergence rate can change dramatically between different systems(e.g.it is slower for molecules with polar bonds and/or second-row elements). The system-dependent basis-set extrapolation scheme, in which unique basis-set extrapolation exponents for each system are obtained from lower-cost MP2 calculations, significantly accelerates the basis-set convergence relative to the global extrapolations. Nevertheless, we find that the simple MP2-based basis-set additivity scheme outperforms the extrapolation approaches. For example, the following root-mean-squared deviations are obtained for the 140 basis-set limit CCSD atomization energies in the W4-11 database: 9.1 (global extrapolation), 3.7 (system-dependent extrapolation), and 2.4 (additivity scheme) kJ mol{sup –1}. The CCSD energy in these approximations is obtained from basis sets of up to TZ quality and the latter two approaches require additional MP2 calculations with basis sets of up to QZ quality. We also assess the performance of the basis-set extrapolations and additivity schemes for a set of 20 basis-set limit CCSD atomization energies of larger molecules including amino acids, DNA/RNA bases, aromatic compounds, and platonic hydrocarbon cages. We obtain the following RMSDs for the above methods: 10.2 (global extrapolation), 5.7 (system-dependent extrapolation), and 2.9 (additivity scheme) kJ mol{sup –1}.

  7. Conductance calculations with a wavelet basis set

    DEFF Research Database (Denmark)

    Thygesen, Kristian Sommer; Bollinger, Mikkel; Jacobsen, Karsten Wedel

    2003-01-01

    . The linear-response conductance is calculated from the Green's function which is represented in terms of a system-independent basis set containing wavelets with compact support. This allows us to rigorously separate the central region from the contacts and to test for convergence in a systematic way...

  8. Accurate basis set truncation for wavefunction embedding

    Science.gov (United States)

    Barnes, Taylor A.; Goodpaster, Jason D.; Manby, Frederick R.; Miller, Thomas F.

    2013-07-01

    Density functional theory (DFT) provides a formally exact framework for performing embedded subsystem electronic structure calculations, including DFT-in-DFT and wavefunction theory-in-DFT descriptions. In the interest of efficiency, it is desirable to truncate the atomic orbital basis set in which the subsystem calculation is performed, thus avoiding high-order scaling with respect to the size of the MO virtual space. In this study, we extend a recently introduced projection-based embedding method [F. R. Manby, M. Stella, J. D. Goodpaster, and T. F. Miller III, J. Chem. Theory Comput. 8, 2564 (2012)], 10.1021/ct300544e to allow for the systematic and accurate truncation of the embedded subsystem basis set. The approach is applied to both covalently and non-covalently bound test cases, including water clusters and polypeptide chains, and it is demonstrated that errors associated with basis set truncation are controllable to well within chemical accuracy. Furthermore, we show that this approach allows for switching between accurate projection-based embedding and DFT embedding with approximate kinetic energy (KE) functionals; in this sense, the approach provides a means of systematically improving upon the use of approximate KE functionals in DFT embedding.

  9. Entanglement patterns in mutually unbiased basis sets

    Energy Technology Data Exchange (ETDEWEB)

    Lawrence, Jay [Department of Physics and Astronomy, Dartmouth College, Hanover, New Hampshire 03755 (United States) and The James Franck Institute, University of Chicago, Chicago, Illinois 60637 (United States)

    2011-08-15

    A few simply stated rules govern the entanglement patterns that can occur in mutually unbiased basis sets (MUBs) and constrain the combinations of such patterns that can coexist in full complements of MUBs. We consider Hilbert spaces of prime power dimensions (D=p{sup N}), as realized by systems of N prime-state particles, where full complements of D+1 MUBs are known to exist, and we assume only that MUBs are eigenbases of generalized Pauli operators, without using any particular construction. The general rules include the following: (1) In any MUB, a given particle appears either in a pure state or totally entangled and (2) in any full MUB complement, each particle is pure in (p+1) bases (not necessarily the same ones) and totally entangled in the remaining (p{sup N}-p). It follows that the maximum number of product bases is p+1 and, when this number is realized, all remaining (p{sup N}-p) bases in the complement are characterized by the total entanglement of every particle. This ''standard distribution'' is inescapable for two-particle systems (of any p), where only product and generalized Bell bases are admissible MUB types. This and the following results generalize previous results for qubits [Phys. Rev. A 65. 032320 (2002); Phys. Rev. A 72, 062310 (2005)] and qutrits [Phys. Rev. A 70, 012302 (2004)], drawing particularly upon [Phys. Rev. A 72, 062310 (2005)]. With three particles there are three MUB types, and these may be combined in (p+2) different ways to form full complements. With N=4, there are 6 MUB types for p=2, but new MUB types become possible with larger p, and these are essential to realizing full complements. With this example, we argue that new MUB types that show new entanglement patterns should enter with every step in N and, also, when N is a prime plus 1, at a critical p value, p=N-1. Such MUBs should play critical roles in filling complements.

  10. Optimized Basis Sets for the Environment in the Domain-Specific Basis Set Approach of the Incremental Scheme.

    Science.gov (United States)

    Anacker, Tony; Hill, J Grant; Friedrich, Joachim

    2016-04-21

    Minimal basis sets, denoted DSBSenv, based on the segmented basis sets of Ahlrichs and co-workers have been developed for use as environmental basis sets for the domain-specific basis set (DSBS) incremental scheme with the aim of decreasing the CPU requirements of the incremental scheme. The use of these minimal basis sets within explicitly correlated (F12) methods has been enabled by the optimization of matching auxiliary basis sets for use in density fitting of two-electron integrals and resolution of the identity. The accuracy of these auxiliary sets has been validated by calculations on a test set containing small- to medium-sized molecules. The errors due to density fitting are about 2-4 orders of magnitude smaller than the basis set incompleteness error of the DSBSenv orbital basis sets. Additional reductions in computational cost have been tested with the reduced DSBSenv basis sets, in which the highest angular momentum functions of the DSBSenv auxiliary basis sets have been removed. The optimized and reduced basis sets are used in the framework of the domain-specific basis set of the incremental scheme to decrease the computation time without significant loss of accuracy. The computation times and accuracy of the previously used environmental basis and that optimized in this work have been validated with a test set of medium- to large-sized systems. The optimized and reduced DSBSenv basis sets decrease the CPU time by about 15.4% and 19.4% compared with the old environmental basis and retain the accuracy in the absolute energy with standard deviations of 0.99 and 1.06 kJ/mol, respectively.

  11. Satellite Data Sets in the Polar Regions

    Science.gov (United States)

    Comiso, Josefino C.; Busalacchi, Antonio J. (Technical Monitor)

    2000-01-01

    We have generated about two decades of consistently derived geophysical parameters in the polar regions. The key parameters are sea ice concentration, surface temperature, albedo, and cloud cover statistics. Sea ice concentrations were derived from the Scanning Multichannel Microwave Radiometer (SMMR) data and the Special Scanning Cl Microwave Imager (SSM/I) data from several platforms using the enhanced Bootstrap Algorithm for the period 1978 through 1999. The new algorithm reduces the errors associated with spatial and temporal variations in the emissivity and surface temperatures of sea ice. Also, bad data at ocean/land interfaces are identified and deleted in an unsupervised manner. Surface ice temperature, albedo and cloud cover statistics are derived simultaneously from the Advanced Very High Resolution Radiometer (AVHRR) data from 1981 through 1999 and mapped at a higher resolution but the same format as the ice concentration data. The technique makes use these co-registered ice concentration maps to enable cloud masking to be done separately for open ocean, sea ice and land areas. The effect of inversion is minimized by taking into consideration the expected changes in the effect of inversion with altitude, especially in the Antarctic. A technique for ice type regional classification has also been developed using multichannel cluster analysis and a neural network. This provide a means to identify large areas of thin ice, first year ice, and older ice types. The data sets have been shown to be coherent with each other and provide a powerful tool for in depth studies of the currently changing Arctic and Antarctic environment.

  12. Noisy signal filtration using complex wavelet basis sets

    Science.gov (United States)

    Yaseen, A. S.; Pavlova, O. N.; Pavlov, A. N.

    2017-07-01

    Methods of noisy signal filtration using a discrete wavelet transform (DWT) with real basis sets of the Daubechies family are compared to methods employing a double-density dual-tree complex wavelet transform (DDCWT) with excess (nonorthonormalized) basis sets. Recommendations concerning the choice of filter parameters for minimization of the error of noisy signal filtration are formulated.

  13. KINETIC BALANCE IN CONTRACTED BASIS-SETS FOR RELATIVISTIC CALCULATIONS

    NARCIS (Netherlands)

    VISSCHER, L; AERTS, PJC; VISSER, O; NIEUWPOORT, WC

    1991-01-01

    A demonstration of kinetic balance failure in heavily contracted basis sets is given. Other possible methods of constructing small component basis sets for 4-component relativistic calculations are discussed. The position of the additional negative energy levels in extended balance calculations in

  14. Construction and performance of fully numerical optimum atomic basis sets

    Science.gov (United States)

    Lange, Björn; Freysoldt, Christoph; Neugebauer, Jörg

    2011-08-01

    We propose a method for constructing small atomic basis sets that optimally mimic the Kohn-Sham wave functions of an underlying plane-wave calculation. The key quantity of the optimization procedure is the spillage: the relative amount of the occupied Hilbert-space norm lost in the projection onto the atomic basis. To ensure full flexibility in the radial shape, we represent the basis functions by radial momentum-space spline functions. With our approach we reach spillages in the order of 10-4 when using minimal basis sets. Band structure calculations on top of a self-consistent linear-combination-of-atomic-orbitals (LCAO) run reproduce the occupied part of the band structure within a few tens meV. However, minimal basis sets are not flexible enough for obtaining material properties such as the lattice constant and the bulk modulus but require basis sets with f orbitals. Basis sets generated for Si, GaN, Al, and NaCl reach a spillage of ˜10-5 and reproduce lattice constants and bulk moduli within 0.03% and 5%, respectively.

  15. ORBITAL CONNECTIONS FOR PERTURBATION-DEPENDENT BASIS-SETS

    DEFF Research Database (Denmark)

    Olsen, Jeppe; Bak, Keld L.; Ruud, K.

    1995-01-01

    The use of perturbation-dependent basis sets is analysed with emphasis on the connection between the basis sets at different values of the perturbation strength. A particular connection, the natural connection, that minimizes the change of the basis set orbitals is devised and the second quantiza......The use of perturbation-dependent basis sets is analysed with emphasis on the connection between the basis sets at different values of the perturbation strength. A particular connection, the natural connection, that minimizes the change of the basis set orbitals is devised and the second...... quantization realization of this connection is introduced. It is shown that the natural connection is important for the efficient evaluation of molecular properties and for the physical interpretation of the terms entering the calculated properties. For example, in molecular Hessian calculations the natural...... connection reduces the size of the relaxation term, leading to faster convergence of the response equations. The physical separation of the terms also means that first-order non-adiabatic coupling matrix elements can be obtained in a very simple way from a molecular Hessian calculation....

  16. Point Set Denoising Using Bootstrap-Based Radial Basis Function.

    Science.gov (United States)

    Liew, Khang Jie; Ramli, Ahmad; Abd Majid, Ahmad

    2016-01-01

    This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.

  17. Approaching the Hartree-Fock Limit through the Complementary Auxiliary Basis Set Singles Correction and Auxiliary Basis Sets.

    Science.gov (United States)

    Shaw, Robert A; Hill, J Grant

    2017-04-11

    Auxiliary basis sets for use in the resolution of the identity (RI) approximation in explicitly correlated methods are presented for the elements H-Ar. These extend the cc-pVnZ-F12/OptRI (n = D-Q) auxiliary basis sets of Peterson and co-workers by the addition of a small number of s- and p-functions, optimized so as to yield the greatest complementary auxiliary basis set (CABS) singles correction to the Hartree-Fock energy. The new sets, denoted OptRI+, also lead to a reduction in errors due to the RI approximation and hence an improvement in correlation energies. The atomization energies and heats of formation for a test set of small molecules, and spectroscopic constants for 27 diatomics, calculated at the CCSD(T)-F12b level, are shown to have improved error distributions for the new auxiliary basis sets with negligible additional effort. The OptRI+ sets retain all of the desirable properties of the original OptRI, including the production of smooth potential energy surfaces, while maintaining a compact nature.

  18. Basis set convergence on static electric dipole polarizability calculations of alkali-metal clusters

    Energy Technology Data Exchange (ETDEWEB)

    Souza, Fabio A. L. de; Jorge, Francisco E., E-mail: jorge@cce.ufes.br [Departamento de Fisica, Universidade Federal do Espirito Santo, 29060-900 Vitoria-ES (Brazil)

    2013-07-15

    A hierarchical sequence of all-electron segmented contracted basis sets of double, triple and quadruple zeta valence qualities plus polarization functions augmented with diffuse functions for the atoms from H to Ar was constructed. A systematic study of basis sets required to obtain reliable and accurate values of static dipole polarizabilities of lithium and sodium clusters (n = 2, 4, 6 and 8) at their optimized equilibrium geometries is reported. Three methods are examined: Hartree-Fock (HF), second-order Moeller-Plesset perturbation theory (MP2), and density functional theory (DFT). By direct calculations or by fitting the directly calculated values through one extrapolation scheme, estimates of the HF, MP2 and DFT complete basis set limits were obtained. Comparison with experimental and theoretical data reported previously in the literature is done (author)

  19. Localized atomic basis set in the projector augmented wave method

    DEFF Research Database (Denmark)

    Larsen, Ask Hjorth; Vanin, Marco; Mortensen, Jens Jørgen

    2009-01-01

    We present an implementation of localized atomic-orbital basis sets in the projector augmented wave (PAW) formalism within the density-functional theory. The implementation in the real-space GPAW code provides a complementary basis set to the accurate but computationally more demanding grid...... representation. The possibility to switch seamlessly between the two representations implies that simulations employing the local basis can be fine tuned at the end of the calculation by switching to the grid, thereby combining the strength of the two representations for optimal performance. The implementation...... is tested by calculating atomization energies and equilibrium bulk properties of a variety of molecules and solids, comparing to the grid results. Finally, it is demonstrated how a grid-quality structure optimization can be performed with significantly reduced computational effort by switching between...

  20. Estimates of Quantum Chemical Molecular Characteristics for Complete Basis Sets

    Czech Academy of Sciences Publication Activity Database

    Zahradník, Rudolf; Šroubková, Libuše

    2003-01-01

    Roč. 43, 3/4 (2003), s. 243-265 ISSN 0021-2148 Institutional research plan: CEZ:AV0Z4040901 Keywords : ab initio calculations * basis set extrapolations * quantum chemical Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.722, year: 2003

  1. Polarization-basis tracking scheme for quantum key distribution using revealed sifted key bits

    Science.gov (United States)

    Ding, Yu-Yang; Chen, Wei; Chen, Hua; Wang, Chao; li, Ya-Ping; Wang, Shuang; Yin, Zhen-Qiang; Guo, Guang-Can; Han, Zheng-Fu

    2017-03-01

    Calibration of the polarization basis between the transmitter and receiver is an important task in quantum key distribution (QKD). An effective polarization-basis tracking scheme will decrease the quantum bit error rate (QBER) and improve the efficiency of a polarization encoding QKD system. In this paper, we proposed a polarization-basis tracking scheme using only unveiled sifted key bits while performing error correction by legitimate users, rather than introducing additional reference light or interrupting the transmission of quantum signals. A polarization-encoding fiber BB84 QKD prototype was developed to examine the validity of this scheme. An average QBER of 2.32% and a standard derivation of 0.87% have been obtained during 24 hours of continuous operation.

  2. MRD-CI potential surfaces using balanced basis sets. IV. The H2 molecule and the H3 surface

    International Nuclear Information System (INIS)

    Wright, J.S.; Kruus, E.

    1986-01-01

    The utility of midbond functions in molecular calculations was tested in two cases where the correct results are known: the H 2 potential curve and the collinear H 3 potential surface. For H 2 , a variety of basis sets both with and without bond functions was compared to the exact nonrelativistic potential curve of Kolos and Wolniewicz [J. Chem. Phys. 43, 2429 (1965)]. It was found that optimally balanced basis sets at two levels of quality were the double zeta single polarization plus sp bond function basis (BF1) and the triple zeta double polarization plus two sets of sp bond function basis (BF2). These gave bond dissociation energies D/sub e/ = 4.7341 and 4.7368 eV, respectively (expt. 4.7477 eV). Four basis sets were tested for basis set superposition errors, which were found to be small relative to basis set incompleteness and therefore did not affect any conclusions regarding basis set balance. Basis sets BF1 and BF2 were used to construct potential surfaces for collinear H 3 , along with the corresponding basis sets DZ*P and TZ*PP which contain no bond functions. Barrier heights of 12.52, 10.37, 10.06, and 9.96 kcal/mol were obtained for basis sets DZ*P, TZ*PP, BF1, and BF2, respectively, compared to an estimated limiting value of 9.60 kcal/mol. Difference maps, force constants, and relative rms deviations show that the bond functions improve the surface shape as well as the barrier height

  3. Machine learning (ML)-guided OPC using basis functions of polar Fourier transform

    Science.gov (United States)

    Choi, Suhyeong; Shim, Seongbo; Shin, Youngsoo

    2016-03-01

    With shrinking feature size, runtime has become a limitation of model-based OPC (MB-OPC). A few machine learning-guided OPC (ML-OPC) have been studied as candidates for next-generation OPC, but they all employ too many parameters (e.g. local densities), which set their own limitations. We propose to use basis functions of polar Fourier transform (PFT) as parameters of ML-OPC. Since PFT functions are orthogonal each other and well reflect light phenomena, the number of parameters can significantly be reduced without loss of OPC accuracy. Experiments demonstrate that our new ML-OPC achieves 80% reduction in OPC time and 35% reduction in the error of predicted mask bias when compared to conventional ML-OPC.

  4. Basis set approach in the constrained interpolation profile method

    International Nuclear Information System (INIS)

    Utsumi, T.; Koga, J.; Yabe, T.; Ogata, Y.; Matsunaga, E.; Aoki, T.; Sekine, M.

    2003-07-01

    We propose a simple polynomial basis-set that is easily extendable to any desired higher-order accuracy. This method is based on the Constrained Interpolation Profile (CIP) method and the profile is chosen so that the subgrid scale solution approaches the real solution by the constraints from the spatial derivative of the original equation. Thus the solution even on the subgrid scale becomes consistent with the master equation. By increasing the order of the polynomial, this solution quickly converges. 3rd and 5th order polynomials are tested on the one-dimensional Schroedinger equation and are proved to give solutions a few orders of magnitude higher in accuracy than conventional methods for lower-lying eigenstates. (author)

  5. Basis set expansion for inverse problems in plasma diagnostic analysis

    Science.gov (United States)

    Jones, B.; Ruiz, C. L.

    2013-07-01

    A basis set expansion method [V. Dribinski, A. Ossadtchi, V. A. Mandelshtam, and H. Reisler, Rev. Sci. Instrum. 73, 2634 (2002)], 10.1063/1.1482156 is applied to recover physical information about plasma radiation sources from instrument data, which has been forward transformed due to the nature of the measurement technique. This method provides a general approach for inverse problems, and we discuss two specific examples relevant to diagnosing fast z pinches on the 20-25 MA Z machine [M. E. Savage, L. F. Bennett, D. E. Bliss, W. T. Clark, R. S. Coats, J. M. Elizondo, K. R. LeChien, H. C. Harjes, J. M. Lehr, J. E. Maenchen, D. H. McDaniel, M. F. Pasik, T. D. Pointon, A. C. Owen, D. B. Seidel, D. L. Smith, B. S. Stoltzfus, K. W. Struve, W. A. Stygar, L. K. Warne, J. R. Woodworth, C. W. Mendel, K. R. Prestwich, R. W. Shoup, D. L. Johnson, J. P. Corley, K. C. Hodge, T. C. Wagoner, and P. E. Wakeland, in Proceedings of the Pulsed Power Plasma Sciences Conference (IEEE, 2007), p. 979]. First, Abel inversion of time-gated, self-emission x-ray images from a wire array implosion is studied. Second, we present an approach for unfolding neutron time-of-flight measurements from a deuterium gas puff z pinch to recover information about emission time history and energy distribution. Through these examples, we discuss how noise in the measured data limits the practical resolution of the inversion, and how the method handles discontinuities in the source function and artifacts in the projected image. We add to the method a propagation of errors calculation for estimating uncertainties in the inverted solution.

  6. Density Functional Theory and the Basis Set Truncation Problem with Correlation Consistent Basis Sets: Elephant in the Room or Mouse in the Closet?

    Science.gov (United States)

    Feller, David; Dixon, David A

    2018-03-08

    Two recent papers in this journal called into question the suitability of the correlation consistent basis sets for density functional theory (DFT) calculations, because the sets were designed for correlated methods such as configuration interaction, perturbation theory, and coupled cluster theory. These papers focused on the ability of the correlation consistent and other basis sets to reproduce total energies, atomization energies, and dipole moments obtained from "quasi-exact" multiwavelet results. Undesirably large errors were observed for the correlation consistent basis sets. One of the papers argued that basis sets specifically optimized for DFT methods were "essential" for obtaining high accuracy. In this work we re-examined the performance of the correlation consistent basis sets by resolving problems with the previous calculations and by making more appropriate basis set choices for the alkali and alkaline-earth metals and second-row elements. When this is done, the statistical errors with respect to the benchmark values and with respect to DFT optimized basis sets are greatly reduced, especially in light of the relatively large intrinsic error of the underlying DFT method. When judged with respect to high-quality Feller-Peterson-Dixon coupled cluster theory atomization energies, the PBE0 DFT method used in the previous studies exhibits a mean absolute deviation more than a factor of 50 larger than the quintuple zeta basis set truncation error.

  7. Basis Set Convergence of Indirect Spin-Spin Coupling Constants in the Kohn-Sham Limit for Several Small Molecules

    Czech Academy of Sciences Publication Activity Database

    Kupka, T.; Nieradka, M.; Stachów, M.; Pluta, T.; Nowak, P.; Kjaer, H.; Kongsted, J.; Kaminský, Jakub

    2012-01-01

    Roč. 116, č. 14 (2012), s. 3728-3738 ISSN 1089-5639 R&D Projects: GA ČR GPP208/10/P356 Institutional research plan: CEZ:AV0Z40550506 Keywords : consistent basis-sets * density-functional methods * ab-inition calculations * polarization propagator approximation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.771, year: 2012

  8. On the performance of atomic natural orbital basis sets: A full configuration interaction study

    International Nuclear Information System (INIS)

    Illas, F.; Ricart, J.M.; Rubio, J.; Bagus, P.S.

    1990-01-01

    The performance of atomic natural orbital (ANO) basis sets has been studied by comparing self-consistant field (SCF) and full configuration interaction (CI) results obtained for the first row atoms and hydrides. The ANO results have been compared with those obtained using a segmented basis set containing the same number of contracted basis functions. The total energies obtained with the ANO basis sets are always lower than the one obtained by using the segmented one. However, for the hydrides, differential electronic correlation energy obtained with the ANO basis set may be smaller than the one recovered with the segmented set. We relate this poorer differential correlation energy for the ANO basis set to the fact that only one contracted d function is used for the ANO and segmented basis sets

  9. The aug-cc-pVnZ-F12 basis set family: Correlation consistent basis sets for explicitly correlated benchmark calculations on anions and noncovalent complexes.

    Science.gov (United States)

    Sylvetsky, Nitai; Kesharwani, Manoj K; Martin, Jan M L

    2017-10-07

    We have developed a new basis set family, denoted as aug-cc-pVnZ-F12 (or aVnZ-F12 for short), for explicitly correlated calculations. The sets included in this family were constructed by supplementing the corresponding cc-pVnZ-F12 sets with additional diffuse functions on the higher angular momenta (i.e., additional d-h functions on non-hydrogen atoms and p-g on hydrogen atoms), optimized for the MP2-F12 energy of the relevant atomic anions. The new basis sets have been benchmarked against electron affinities of the first- and second-row atoms, the W4-17 dataset of total atomization energies, the S66 dataset of noncovalent interactions, the Benchmark Energy and Geometry Data Base water cluster subset, and the WATER23 subset of the GMTKN24 and GMTKN30 benchmark suites. The aVnZ-F12 basis sets displayed excellent performance, not just for electron affinities but also for noncovalent interaction energies of neutral and anionic species. Appropriate CABSs (complementary auxiliary basis sets) were explored for the S66 noncovalent interaction benchmark: between similar-sized basis sets, CABSs were found to be more transferable than generally assumed.

  10. Ab initio localized basis set study of structural parameters and elastic properties of HfO{sub 2} polymorphs

    Energy Technology Data Exchange (ETDEWEB)

    Caravaca, M A [Facultad de Ingenieria, Universidad Nacional del Nordeste, Avenida Las Heras 727, 3500-Resistencia (Argentina); Casali, R A [Facultad de Ciencias Exactas y Naturales y Agrimensura, Universidad Nacional del Nordeste, Avenida Libertad, 5600-Corrientes (Argentina)

    2005-09-21

    The SIESTA approach based on pseudopotentials and a localized basis set is used to calculate the electronic, elastic and equilibrium properties of P 2{sub 1}/c, Pbca, Pnma, Fm3m, P4{sub 2}nmc and Pa3 phases of HfO{sub 2}. Using separable Troullier-Martins norm-conserving pseudopotentials which include partial core corrections for Hf, we tested important physical properties as a function of the basis set size, grid size and cut-off ratio of the pseudo-atomic orbitals (PAOs). We found that calculations in this oxide with the LDA approach and using a minimal basis set (simple zeta, SZ) improve calculated phase transition pressures with respect to the double-zeta basis set and LDA (DZ-LDA), and show similar accuracy to that determined with the PPPW and GGA approach. Still, the equilibrium volumes and structural properties calculated with SZ-LDA compare better with experiments than the GGA approach. The bandgaps and elastic and structural properties calculated with DZ-LDA are accurate in agreement with previous state of the art ab initio calculations and experimental evidence and cannot be improved with a polarized basis set. These calculated properties show low sensitivity to the PAO localization parameter range between 40 and 100 meV. However, this is not true for the relative energy, which improves upon decrease of the mentioned parameter. We found a non-linear behaviour in the lattice parameters with pressure in the P 2{sub 1}/c phase, showing a discontinuity of the derivative of the a lattice parameter with respect to external pressure, as found in experiments. The common enthalpy values calculated with the minimal basis set give pressure transitions of 3.3 and 10.8?GPa for P2{sub 1}/c {yields} Pbca and Pbca {yields} Pnma, respectively, in accordance with different high pressure experimental values.

  11. Ab initio localized basis set study of structural parameters and elastic properties of HfO2 polymorphs

    International Nuclear Information System (INIS)

    Caravaca, M A; Casali, R A

    2005-01-01

    The SIESTA approach based on pseudopotentials and a localized basis set is used to calculate the electronic, elastic and equilibrium properties of P 2 1 /c, Pbca, Pnma, Fm3m, P4 2 nmc and Pa3 phases of HfO 2 . Using separable Troullier-Martins norm-conserving pseudopotentials which include partial core corrections for Hf, we tested important physical properties as a function of the basis set size, grid size and cut-off ratio of the pseudo-atomic orbitals (PAOs). We found that calculations in this oxide with the LDA approach and using a minimal basis set (simple zeta, SZ) improve calculated phase transition pressures with respect to the double-zeta basis set and LDA (DZ-LDA), and show similar accuracy to that determined with the PPPW and GGA approach. Still, the equilibrium volumes and structural properties calculated with SZ-LDA compare better with experiments than the GGA approach. The bandgaps and elastic and structural properties calculated with DZ-LDA are accurate in agreement with previous state of the art ab initio calculations and experimental evidence and cannot be improved with a polarized basis set. These calculated properties show low sensitivity to the PAO localization parameter range between 40 and 100 meV. However, this is not true for the relative energy, which improves upon decrease of the mentioned parameter. We found a non-linear behaviour in the lattice parameters with pressure in the P 2 1 /c phase, showing a discontinuity of the derivative of the a lattice parameter with respect to external pressure, as found in experiments. The common enthalpy values calculated with the minimal basis set give pressure transitions of 3.3 and 10.8?GPa for P2 1 /c → Pbca and Pbca → Pnma, respectively, in accordance with different high pressure experimental values

  12. Basis set recommendations for DFT calculations of gas-phase optical rotations at different wavelengths

    DEFF Research Database (Denmark)

    Hedegård, Erik Donovan; Jensen, Frank; Kongsted, Jacob

    2012-01-01

    of the optical rotation to the basis set limits for nine small or medium sized molecules, using basis sets developed specifically for DFT and magnetic properties (aug-pcS-n series). We suggest that assignment of absolute configuration by comparisons between theoretical and experimental optical rotations may...

  13. Assessment of the amount of polar bears ( Ursus maritimus) on the basis of perennial vessel counts

    Science.gov (United States)

    Matishov, G. G.; Chelintsev, N. G.; Goryaev, Yu. I.; Makarevich, P. R.; Ishkulov, D. G.

    2014-10-01

    This article presents a method of assessment of the amount of polar bears on the basis of data on vessel counts. The results of 32 vessel transect counts in the southern part of the Kara Sea are used as the primary data. They are processed in an original program using separate extrapolation by sectors and summarizing of data of several different counts. In recent years, the calculated amount of bears in the studied region has varied from 3300 to 3100 individuals (3200, on average). The relative statistical error of estimations smoothly decreases from 8 to 7%. The confidence interval of the estimation at statistical error of 7% and probability level of 95% is 2700-3500 individuals.

  14. Multi-station basis for Polar Cap (PC) indices: ensuring credibility and operational reliability

    Science.gov (United States)

    Stauning, Peter

    2018-02-01

    The Polar Cap (PC) indices, PCN (North) and PCS (South) are based on polar geomagnetic observations from Qaanaaq (Thule) and Vostok, respectively, processed to measure the transpolar plasma convection that may seriously affect space weather conditions. To establish reliable space weather forecasts based on PC indices, and also to ensure credibility of their use for scientific analyses of solar wind-magnetosphere interactions, additional sources of data for the PC indices are investigated. In the search for alternative index sources, objective quality criteria are established here to be used for the selection among potential candidates. These criteria are applied to existing PC index series to establish a quality scale. In the Canadian region, the data from Resolute Bay magnetometer are shown to provide alternative PCN indices of adequate quality. In Antarctica, the data from Concordia Dome-C observatory are shown to provide basis for alternative PCS indices. In examples to document the usefulness of these alternative index sources it is shown that PCN indices in a real-time version based on magnetometer data from Resolute Bay could have given 6 h of early warning, of which the last 2 h were "red alert", up to the onset of the strong substorm event on 13 March 1989 that caused power outage in Quebec. The alternative PCS indices based on data from Dome-C have helped to disclose that presently available Vostok-based PCS index values are corrupted throughout most of 2011.

  15. Multi-station basis for Polar Cap (PC indices: ensuring credibility and operational reliability

    Directory of Open Access Journals (Sweden)

    Stauning Peter

    2018-01-01

    Full Text Available The Polar Cap (PC indices, PCN (North and PCS (South are based on polar geomagnetic observations from Qaanaaq (Thule and Vostok, respectively, processed to measure the transpolar plasma convection that may seriously affect space weather conditions. To establish reliable space weather forecasts based on PC indices, and also to ensure credibility of their use for scientific analyses of solar wind-magnetosphere interactions, additional sources of data for the PC indices are investigated. In the search for alternative index sources, objective quality criteria are established here to be used for the selection among potential candidates. These criteria are applied to existing PC index series to establish a quality scale. In the Canadian region, the data from Resolute Bay magnetometer are shown to provide alternative PCN indices of adequate quality. In Antarctica, the data from Concordia Dome-C observatory are shown to provide basis for alternative PCS indices. In examples to document the usefulness of these alternative index sources it is shown that PCN indices in a real-time version based on magnetometer data from Resolute Bay could have given 6 h of early warning, of which the last 2 h were “red alert”, up to the onset of the strong substorm event on 13 March 1989 that caused power outage in Quebec. The alternative PCS indices based on data from Dome-C have helped to disclose that presently available Vostok-based PCS index values are corrupted throughout most of 2011.

  16. Dynamical basis sets for algebraic variational calculations in quantum-mechanical scattering theory

    Science.gov (United States)

    Sun, Yan; Kouri, Donald J.; Truhlar, Donald G.; Schwenke, David W.

    1990-01-01

    New basis sets are proposed for linear algebraic variational calculations of transition amplitudes in quantum-mechanical scattering problems. These basis sets are hybrids of those that yield the Kohn variational principle (KVP) and those that yield the generalized Newton variational principle (GNVP) when substituted in Schlessinger's stationary expression for the T operator. Trial calculations show that efficiencies almost as great as that of the GNVP and much greater than the KVP can be obtained, even for basis sets with the majority of the members independent of energy.

  17. Molecular basis sets - a general similarity-based approach for representing chemical spaces.

    Science.gov (United States)

    Raghavendra, Akshay S; Maggiora, Gerald M

    2007-01-01

    A new method, based on generalized Fourier analysis, is described that utilizes the concept of "molecular basis sets" to represent chemical space within an abstract vector space. The basis vectors in this space are abstract molecular vectors. Inner products among the basis vectors are determined using an ansatz that associates molecular similarities between pairs of molecules with their corresponding inner products. Moreover, the fact that similarities between pairs of molecules are, in essentially all cases, nonzero implies that the abstract molecular basis vectors are nonorthogonal, but since the similarity of a molecule with itself is unity, the molecular vectors are normalized to unity. A symmetric orthogonalization procedure, which optimally preserves the character of the original set of molecular basis vectors, is used to construct appropriate orthonormal basis sets. Molecules can then be represented, in general, by sets of orthonormal "molecule-like" basis vectors within a proper Euclidean vector space. However, the dimension of the space can become quite large. Thus, the work presented here assesses the effect of basis set size on a number of properties including the average squared error and average norm of molecular vectors represented in the space-the results clearly show the expected reduction in average squared error and increase in average norm as the basis set size is increased. Several distance-based statistics are also considered. These include the distribution of distances and their differences with respect to basis sets of differing size and several comparative distance measures such as Spearman rank correlation and Kruscal stress. All of the measures show that, even though the dimension can be high, the chemical spaces they represent, nonetheless, behave in a well-controlled and reasonable manner. Other abstract vector spaces analogous to that described here can also be constructed providing that the appropriate inner products can be directly

  18. New basis set for the prediction of the specific rotation in flexible biological molecules

    DEFF Research Database (Denmark)

    Baranowska-Łaczkowska, Angelika; Z. Łaczkowski, Krzysztof Z. Łaczkowski; Henriksen, Christian

    2016-01-01

    Using a novel method based on increasingly accurate calculations, we obtain the main conformers of a set of flexible molecules. We then employ the recently developed ORP basis set for calculating the specific rotation of the found set carried out at the TD-DFT level of theory. The results are com...

  19. Pseudospectral sampling of Gaussian basis sets as a new avenue to high-dimensional quantum dynamics

    Science.gov (United States)

    Heaps, Charles

    This thesis presents a novel approach to modeling quantum molecular dynamics (QMD). Theoretical approaches to QMD are essential to understanding and predicting chemical reactivity and spectroscopy. We implement a method based on a trajectory-guided basis set. In this case, the nuclei are propagated in time using classical mechanics. Each nuclear configuration corresponds to a basis function in the quantum mechanical expansion. Using the time-dependent configurations as a basis set, we are able to evolve in time using relatively little information at each time step. We use a basis set of moving frozen (time-independent width) Gaussian functions that are well-known to provide a simple and efficient basis set for nuclear dynamics. We introduce a new perspective to trajectory-guided Gaussian basis sets based on existing numerical methods. The distinction is based on the Galerkin and collocation methods. In the former, the basis set is tested using basis functions, projecting the solution onto the functional space of the problem and requiring integration over all space. In the collocation method, the Dirac delta function tests the basis set, projecting the solution onto discrete points in space. This effectively reduces the integral evaluation to function evaluation, a fundamental characteristic of pseudospectral methods. We adopt this idea for independent trajectory-guided Gaussian basis functions. We investigate a series of anharmonic vibrational models describing dynamics in up to six dimensions. The pseudospectral sampling is found to be as accurate as full integral evaluation, while the former method is fully general and integration is only possible on very particular model potential energy surfaces. Nonadiabatic dynamics are also investigated in models of photodissociation and collinear triatomic vibronic coupling. Using Ehrenfest trajectories to guide the basis set on multiple surfaces, we observe convergence to exact results using hundreds of basis functions

  20. Comparison of Property-Oriented Basis Sets for the Computation of Electronic and Nuclear Relaxation Hyperpolarizabilities.

    Science.gov (United States)

    Zaleśny, Robert; Baranowska-Łączkowska, Angelika; Medveď, Miroslav; Luis, Josep M

    2015-09-08

    In the present work, we perform an assessment of several property-oriented atomic basis sets in computing (hyper)polarizabilities with a focus on the vibrational contributions. Our analysis encompasses the Pol and LPol-ds basis sets of Sadlej and co-workers, the def2-SVPD and def2-TZVPD basis sets of Rappoport and Furche, and the ORP basis set of Baranowska-Łączkowska and Łączkowski. Additionally, we use the d-aug-cc-pVQZ and aug-cc-pVTZ basis sets of Dunning and co-workers to determine the reference estimates of the investigated electric properties for small- and medium-sized molecules, respectively. We combine these basis sets with ab initio post-Hartree-Fock quantum-chemistry approaches (including the coupled cluster method) to calculate electronic and nuclear relaxation (hyper)polarizabilities of carbon dioxide, formaldehyde, cis-diazene, and a medium-sized Schiff base. The primary finding of our study is that, among all studied property-oriented basis sets, only the def2-TZVPD and ORP basis sets yield nuclear relaxation (hyper)polarizabilities of small molecules with average absolute errors less than 5.5%. A similar accuracy for the nuclear relaxation (hyper)polarizabilites of the studied systems can also be reached using the aug-cc-pVDZ basis set (5.3%), although for more accurate calculations of vibrational contributions, i.e., average absolute errors less than 1%, the aug-cc-pVTZ basis set is recommended. It was also demonstrated that anharmonic contributions to first and second hyperpolarizabilities of a medium-sized Schiff base are particularly difficult to accurately predict at the correlated level using property-oriented basis sets. For instance, the value of the nuclear relaxation first hyperpolarizability computed at the MP2/def2-TZVPD level of theory is roughly 3 times larger than that determined using the aug-cc-pVTZ basis set. We link the failure of the def2-TZVPD basis set with the difficulties in predicting the first-order field

  1. The Convergence of CASSCF Energies to the Complete Basis Set Limit

    National Research Council Canada - National Science Library

    Petersson, George A; Malick, David K; Frisch, Michael J; Braunstein, Matthew

    2005-01-01

    Examination of the convergence of full valence CASSCF energies with expansion of the one-electron basis set reveals a pattern very similar to the convergence of single determinant Hartree-Fock energies...

  2. Near Hartree-Fock quality GTO basis sets for the second-row atoms

    Science.gov (United States)

    Partridge, Harry

    1987-01-01

    Energy optimized, near Hartree-Fock quality Gaussian basis sets ranging in size from (17s12p) to (20s15p) are presented for the ground states of the second-row atoms for Na(2P), Na(+), Na(-), Mg(3P), P(-), S(-), and Cl(-). In addition, optimized supplementary functions are given for the ground state basis sets to describe the negative ions, and the excited Na(2P) and Mg(3P) atomic states. The ratios of successive orbital exponents describing the inner part of the 1s and 2p orbitals are found to be nearly independent of both nuclear charge and basis set size. This provides a method of obtaining good starting estimates for other basis set optimizations.

  3. A Hartree–Fock study of the confined helium atom: Local and global basis set approaches

    Energy Technology Data Exchange (ETDEWEB)

    Young, Toby D., E-mail: tyoung@ippt.pan.pl [Zakład Metod Komputerowych, Instytut Podstawowych Prolemów Techniki Polskiej Akademia Nauk, ul. Pawińskiego 5b, 02-106 Warszawa (Poland); Vargas, Rubicelia [Universidad Autónoma Metropolitana Iztapalapa, División de Ciencias Básicas e Ingenierías, Departamento de Química, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa, D.F. C.P. 09340, México (Mexico); Garza, Jorge, E-mail: jgo@xanum.uam.mx [Universidad Autónoma Metropolitana Iztapalapa, División de Ciencias Básicas e Ingenierías, Departamento de Química, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa, D.F. C.P. 09340, México (Mexico)

    2016-02-15

    Two different basis set methods are used to calculate atomic energy within Hartree–Fock theory. The first is a local basis set approach using high-order real-space finite elements and the second is a global basis set approach using modified Slater-type orbitals. These two approaches are applied to the confined helium atom and are compared by calculating one- and two-electron contributions to the total energy. As a measure of the quality of the electron density, the cusp condition is analyzed. - Highlights: • Two different basis set methods for atomic Hartree–Fock theory. • Galerkin finite element method and modified Slater-type orbitals. • Confined atom model (helium) under small-to-extreme confinement radii. • Detailed analysis of the electron wave-function and the cusp condition.

  4. The Bethe Sum Rule and Basis Set Selection in the Calculation of Generalized Oscillator Strengths

    DEFF Research Database (Denmark)

    Cabrera-Trujillo, Remigio; Sabin, John R.; Oddershede, Jens

    1999-01-01

    Fulfillment of the Bethe sum rule may be construed as a measure of basis set quality for atomic and molecular properties involving the generalized oscillator strength distribution. It is first shown that, in the case of a complete basis, the Bethe sum rule is fulfilled exactly in the random phase...

  5. Energy optimized Gaussian basis sets for the atoms T1 - Rn

    International Nuclear Information System (INIS)

    Faegri, K. Jr.

    1987-01-01

    Energy optimized Gaussian basis sets have been derived for the atoms Tl-Rn. Two sets are presented - a (20,16,10,6) set and a (22,17,13,8) set. The smallest sets yield atomic energies 107 to 123 mH above the numerical Hartree-Fock values, while the larger sets give energies 11 mH above the numerical results. Energy trends from the smaller sets indicate that reduced shielding by p-electrons may place a greater demand on the flexibility of d- and f-orbital description for the lighter elements of the series

  6. On the use of locally dense basis sets in the calculation of EPR hyperfine couplings

    DEFF Research Database (Denmark)

    Milhøj, Birgitte Olai; Hedegård, Erik D.; Sauer, Stephan P. A.

    2013-01-01

    in the compound 0 intermediate of cytochrome P450cam, [Fe(OOH)(SH)(en)2]+, and one for the active site in coenzyme B12, [Co(NH3)(CN)(en)2]+. The Fermi contact, spin-dipolar and second order paramagnetic spin-orbit coupling contributions to the hyperne coupling tensors of the metal and the ligating ethylenediamine...... N atoms are calculated, and their dependence on the basis set for the remaining atoms are investigated. Core property basis sets are employed for the metals (aug-cc-pVTZ-Juc) and their equatorially coordinating N atoms (aug-cc-pVTZ-J or 6-31G-Juc analogues to the Pople style basis sets used...... the use of larger basis sets on the non-coupled atoms. If, however, an error of less than 0.5 MHz is sucient any basis set can be used for the non-coupled atoms. For the cobalt containing model system the 6-31G(2d) basis set generally gives results within 1% of the reference value....

  7. On the use of Locally Dense Basis Sets in the Calculation of EPR Hyperfine Couplings

    DEFF Research Database (Denmark)

    Hedegård, Erik D.; Sauer, Stephan P. A.; Milhøj, Birgitte O.

    2013-01-01

    in the compound 0 intermediate of cytochrome P450cam, [Fe(OOH)(SH)(en)2]+, and one for the active site in coenzyme B12, [Co(NH3)(CN)(en)2]+. The Fermi contact, spin-dipolar and second order paramagnetic spin-orbit coupling contributions to the hyperne coupling tensors of the metal and the ligating ethylenediamine...... N atoms are calculated, and their dependence on the basis set for the remaining atoms are investigated. Core property basis sets are employed for the metals (aug-cc-pVTZ-Juc) and their equatorially coordinating N atoms (aug-cc-pVTZ-J or 6-31G-Juc analogues to the Pople style basis sets used...... the use of larger basis sets on the non-coupled atoms. If, however, an error of less than 0.5 MHz is sucient any basis set can be used for the non-coupled atoms. For the cobalt containing model system the 6-31G(2d) basis set generally gives results within 1% of the reference value....

  8. On sets of vectors of a finite vector space in which every subset of basis size is a basis II

    OpenAIRE

    Ball, Simeon; De Beule, Jan

    2012-01-01

    This article contains a proof of the MDS conjecture for k a parts per thousand currency sign 2p - 2. That is, that if S is a set of vectors of in which every subset of S of size k is a basis, where q = p (h) , p is prime and q is not and k a parts per thousand currency sign 2p - 2, then |S| a parts per thousand currency sign q + 1. It also contains a short proof of the same fact for k a parts per thousand currency sign p, for all q.

  9. The Bethe Sum Rule and Basis Set Selection in the Calculation of Generalized Oscillator Strengths

    DEFF Research Database (Denmark)

    Cabrera-Trujillo, Remigio; Sabin, John R.; Oddershede, Jens

    1999-01-01

    Fulfillment of the Bethe sum rule may be construed as a measure of basis set quality for atomic and molecular properties involving the generalized oscillator strength distribution. It is first shown that, in the case of a complete basis, the Bethe sum rule is fulfilled exactly in the random phase...... approximation. For an incomplete (computational) basis, some guidelines are developed for constructing higher angular momentum contributions to bases that will optimize the sum of generalized oscillator strengths and thus make the basis well suited for the calculation of stopping cross sections....

  10. Continuum contributions to dipole oscillator-strength sum rules for hydrogen in finite basis sets

    DEFF Research Database (Denmark)

    Oddershede, Jens; Ogilvie, John F.; Sauer, Stephan P. A.

    2017-01-01

    Calculations of the continuum contributions to dipole oscillator sum rules for hydrogen are performed using both exact and basis-set representations of the stick spectra of the continuum wave function. We show that the same results are obtained for the sum rules in both cases, but that the conver......Calculations of the continuum contributions to dipole oscillator sum rules for hydrogen are performed using both exact and basis-set representations of the stick spectra of the continuum wave function. We show that the same results are obtained for the sum rules in both cases......, but that the convergence towards the final results with increasing excitation energies included in the sum over states is slower in the basis-set cases when we use the best basis. We argue also that this conclusion most likely holds also for larger atoms or molecules....

  11. Near Hartree-Fock quality GTO basis sets for the first- and third-row atoms

    Science.gov (United States)

    Partridge, Harry

    1989-01-01

    Energy-optimized Gaussian-type-orbital (GTO) basis sets of accuracy approaching that of numerical Hartree-Fock computations are compiled for the elements of the first and third rows of the periodic table. The methods employed in calculating the sets are explained; the applicability of the sets to electronic-structure calculations is discussed; and the results are presented in tables and briefly characterized.

  12. Accurate and balanced anisotropic Gaussian type orbital basis sets for atoms in strong magnetic fields

    Science.gov (United States)

    Zhu, Wuming; Trickey, S. B.

    2017-12-01

    In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions are capable of reconciling the competing demands of the spherically symmetric Coulombic interaction and cylindrical magnetic (B field) confinement. However, the best available a priori procedure for composing highly accurate AGTO sets for atoms in a strong B field [W. Zhu et al., Phys. Rev. A 90, 022504 (2014)] yields very large basis sets. Their size is problematical for use in any calculation with unfavorable computational cost scaling. Here we provide an alternative constructive procedure. It is based upon analysis of the underlying physics of atoms in B fields that allow identification of several principles for the construction of AGTO basis sets. Aided by numerical optimization and parameter fitting, followed by fine tuning of fitting parameters, we devise formulae for generating accurate AGTO basis sets in an arbitrary B field. For the hydrogen iso-electronic sequence, a set depends on B field strength, nuclear charge, and orbital quantum numbers. For multi-electron systems, the basis set formulae also include adjustment to account for orbital occupations. Tests of the new basis sets for atoms H through C (1 ≤ Z ≤ 6) and ions Li+, Be+, and B+, in a wide B field range (0 ≤ B ≤ 2000 a.u.), show an accuracy better than a few μhartree for single-electron systems and a few hundredths to a few mHs for multi-electron atoms. The relative errors are similar for different atoms and ions in a large B field range, from a few to a couple of tens of millionths, thereby confirming rather uniform accuracy across the nuclear charge Z and B field strength values. Residual basis set errors are two to three orders of magnitude smaller than the electronic correlation energies in multi-electron atoms, a signal of the usefulness of the new AGTO basis sets in correlated wavefunction or density functional calculations for atomic and molecular systems in an external strong B field.

  13. Accurate and balanced anisotropic Gaussian type orbital basis sets for atoms in strong magnetic fields.

    Science.gov (United States)

    Zhu, Wuming; Trickey, S B

    2017-12-28

    In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions are capable of reconciling the competing demands of the spherically symmetric Coulombic interaction and cylindrical magnetic (B field) confinement. However, the best available a priori procedure for composing highly accurate AGTO sets for atoms in a strong B field [W. Zhu et al., Phys. Rev. A 90, 022504 (2014)] yields very large basis sets. Their size is problematical for use in any calculation with unfavorable computational cost scaling. Here we provide an alternative constructive procedure. It is based upon analysis of the underlying physics of atoms in B fields that allow identification of several principles for the construction of AGTO basis sets. Aided by numerical optimization and parameter fitting, followed by fine tuning of fitting parameters, we devise formulae for generating accurate AGTO basis sets in an arbitrary B field. For the hydrogen iso-electronic sequence, a set depends on B field strength, nuclear charge, and orbital quantum numbers. For multi-electron systems, the basis set formulae also include adjustment to account for orbital occupations. Tests of the new basis sets for atoms H through C (1 ≤ Z ≤ 6) and ions Li + , Be + , and B + , in a wide B field range (0 ≤ B ≤ 2000 a.u.), show an accuracy better than a few μhartree for single-electron systems and a few hundredths to a few mHs for multi-electron atoms. The relative errors are similar for different atoms and ions in a large B field range, from a few to a couple of tens of millionths, thereby confirming rather uniform accuracy across the nuclear charge Z and B field strength values. Residual basis set errors are two to three orders of magnitude smaller than the electronic correlation energies in multi-electron atoms, a signal of the usefulness of the new AGTO basis sets in correlated wavefunction or density functional calculations for atomic and molecular systems in an external strong B

  14. Basis set representation of the electron density at an atomic nucleus.

    Science.gov (United States)

    Mastalerz, Remigius; Widmark, Per-Olof; Roos, Björn Olof; Lindh, Roland; Reiher, Markus

    2010-10-14

    In this paper a detailed investigation of the basis set convergence for the calculation of relativistic electron densities at the position of finite-sized atomic nuclei is presented. The development of Gauss-type basis sets for such electron densities is reported and the effect of different contraction schemes is studied. Results are then presented for picture-change corrected calculations based on the Douglas-Kroll-Hess Hamiltonian. Moreover, the role of electron correlation, the effect of the numerical integration accuracy in density functional calculations, and the convergence with respect to the order of the Douglas-Kroll-Hess Hamiltonian and the picture-change-transformed property operator are studied.

  15. Hartree-Fock energy derivatives with respect to basis set exponents. Integral derivatives using Rys polynomials

    Science.gov (United States)

    Tonachini, Glauco; Schlegel, H. Bernhard

    1987-07-01

    The Rys polynomial method has been used to evaluate the first derivatives of the two electron integrals and the nuclear electron attraction integrals with respect to the Gaussian exponents. Gradients for the sulfur 6-31 G(d) basis set in HS-, H2S, H3S+, H2S2, H3CSH, H2CS, CS, H2SO, SO2 and SO3 have been evaluated to illustrate the effect of charge, multiple bonding and hypervalency on the basis set exponents.

  16. Strategies for reducing basis set superposition error (BSSE) in O/AU and O/Ni

    KAUST Repository

    Shuttleworth, I.G.

    2015-11-01

    © 2015 Elsevier Ltd. All rights reserved. The effect of basis set superposition error (BSSE) and effective strategies for the minimisation have been investigated using the SIESTA-LCAO DFT package. Variation of the energy shift parameter ΔEPAO has been shown to reduce BSSE for bulk Au and Ni and across their oxygenated surfaces. Alternative strategies based on either the expansion or contraction of the basis set have been shown to be ineffective in reducing BSSE. Comparison of the binding energies for the surface systems obtained using LCAO were compared with BSSE-free plane wave energies.

  17. Ab initio calculation of reaction energies. III. Basis set dependence of relative energies on the FH2 and H2CO potential energy surfaces

    International Nuclear Information System (INIS)

    Frisch, M.J.; Binkley, J.S.; Schaefer, H.F. III

    1984-01-01

    The relative energies of the stationary points on the FH 2 and H 2 CO nuclear potential energy surfaces relevant to the hydrogen atom abstraction, H 2 elimination and 1,2-hydrogen shift reactions have been examined using fourth-order Moller--Plesset perturbation theory and a variety of basis sets. The theoretical absolute zero activation energy for the F+H 2 →FH+H reaction is in better agreement with experiment than previous theoretical studies, and part of the disagreement between earlier theoretical calculations and experiment is found to result from the use of assumed rather than calculated zero-point vibrational energies. The fourth-order reaction energy for the elimination of hydrogen from formaldehyde is within 2 kcal mol -1 of the experimental value using the largest basis set considered. The qualitative features of the H 2 CO surface are unchanged by expansion of the basis set beyond the polarized triple-zeta level, but diffuse functions and several sets of polarization functions are found to be necessary for quantitative accuracy in predicted reaction and activation energies. Basis sets and levels of perturbation theory which represent good compromises between computational efficiency and accuracy are recommended

  18. Anisotropies in cortical tension reveal the physical basis of polarizing cortical flows

    NARCIS (Netherlands)

    Mayer, M.; Depken, S.M.; Bois, J.S.; Julicher, M.; Grill, S.W.

    2010-01-01

    Asymmetric cell divisions are essential for the development of multicellular organisms. To proceed, they require an initially symmetric cell to polarize. In Caenorhabditis elegans zygotes, anteroposterior polarization is facilitated by a large-scale flow of the actomyosin cortex, which directs the

  19. Orthonormal curvature polynomials over a unit circle: basis set derived from curvatures of Zernike polynomials.

    Science.gov (United States)

    Zhao, Chunyu; Burge, James H

    2013-12-16

    Zernike polynomials are an orthonormal set of scalar functions over a circular domain, and are commonly used to represent wavefront phase or surface irregularity. In optical testing, slope or curvature of a surface or wavefront is sometimes measured instead, from which the surface or wavefront map is obtained. Previously we derived an orthonormal set of vector polynomials that fit to slope measurement data and yield the surface or wavefront map represented by Zernike polynomials. Here we define a 3-element curvature vector used to represent the second derivatives of a continuous surface, and derive a set of orthonormal curvature basis functions that are written in terms of Zernike polynomials. We call the new curvature functions the C polynomials. Closed form relations for the complete basis set are provided, and we show how to determine Zernike surface coefficients from the curvature data as represented by the C polynomials.

  20. Incomplete basis-set problem. V. Application of CIBS to many-electron systems

    International Nuclear Information System (INIS)

    McDowell, K.; Lewis, L.

    1982-01-01

    Five versions of CIBS (corrections to an incomplete basis set) theory are used to compute first and second corrections to Roothaan--Hartree--Fock energies via expansion of a given basis set. Version one is an order by order perturbation approximation which neglects virtual orbitals; version two is a full CIBS expansion which neglects virtual orbitals; version three is an order by order perturbation approximation which includes virtual orbitals; version four is a full CIBS expansion which includes orthogonalization to virtual orbitals but neglects virtual orbital coupling terms; and version five is a full CIBS expansion with inclusion of coupling to virtual orbitals. Results are presented for the atomic and molecular systems He, Be, H 2 , LiH, Li 2 , and H 2 O. Version five is shown to produce a corrected Hartree--Fock energy which is essentially in agreement with a comparable SCF result using the same expanded basis set. Versions one through four yield varying degrees of agreement; however, it is evident that the effect of the virtual orbitals must be included. From the results, CIBS version five is shown to be a viable quantitative procedure which can be used to expand or to study the use of basis sets in quantum chemistry

  1. Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit

    Czech Academy of Sciences Publication Activity Database

    Řezáč, J.; Hobza, Pavel

    2011-01-01

    Roč. 7, č. 3 (2011), s. 685-689 ISSN 1549-9618 R&D Projects: GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : DFT-SAPT * interaction Energies * scaling to complete basis set limit Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.215, year: 2011

  2. An approach to develop chemical intuition for atomistic electron transport calculations using basis set rotations

    Energy Technology Data Exchange (ETDEWEB)

    Borges, A.; Solomon, G. C. [Department of Chemistry and Nano-Science Center, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø (Denmark)

    2016-05-21

    Single molecule conductance measurements are often interpreted through computational modeling, but the complexity of these calculations makes it difficult to directly link them to simpler concepts and models. Previous work has attempted to make this connection using maximally localized Wannier functions and symmetry adapted basis sets, but their use can be ambiguous and non-trivial. Starting from a Hamiltonian and overlap matrix written in a hydrogen-like basis set, we demonstrate a simple approach to obtain a new basis set that is chemically more intuitive and allows interpretation in terms of simple concepts and models. By diagonalizing the Hamiltonians corresponding to each atom in the molecule, we obtain a basis set that can be partitioned into pseudo-σ and −π and allows partitioning of the Landuaer-Büttiker transmission as well as create simple Hückel models that reproduce the key features of the full calculation. This method provides a link between complex calculations and simple concepts and models to provide intuition or extract parameters for more complex model systems.

  3. Intramolecular hydrogen bond: Can it be part of the basis set of ...

    Indian Academy of Sciences (India)

    IMHB appears in one of the equivalent complete VIC basis sets, its RFC could be used as a measure of bond strength parameter. Keywords. Hydrogen bond; intramolecular; relaxed force constant; normal mode analysis; bond strength parameter. 1. Introduction. The advantages of the compliance constants (the inverse.

  4. Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation

    Czech Academy of Sciences Publication Activity Database

    Csonka, G. I.; Kaminský, Jakub

    2011-01-01

    Roč. 7, č. 4 (2011), s. 988-997 ISSN 1549-9618 Institutional research plan: CEZ:AV0Z40550506 Keywords : MP2 * basis set extrapolation * saccharides Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.215, year: 2011

  5. On the use of locally dense basis sets in the calculation of EPR hyperfine couplings

    DEFF Research Database (Denmark)

    Milhøj, Birgitte Olai; Hedegård, Erik D.; Sauer, Stephan P. A.

    2013-01-01

    The usage of locally dense basis sets in the calculation of Electron Paramagnetic Resonance (EPR) hyperne coupling constants is investigated at the level of Density Functional Theory (DFT) for two model systems of biologically important transition metal complexes: One for the active site in the c...

  6. An editor for the maintenance and use of a bank of contracted Gaussian basis set functions

    International Nuclear Information System (INIS)

    Taurian, O.E.

    1984-01-01

    A bank of basis sets to be used in ab-initio calculations has been created. The bases are sets of contracted Gaussian type orbitals to be used as input to any molecular integral package. In this communication we shall describe the organization of the bank and a portable editor program which was designed for its maintenance and use. This program is operated by commands and it may be used to obtain any kind of information about the bases in the bank as well as to produce output to be directly used as input for different integral programs. The editor may also be used to format basis sets in the conventional way utilized in publications, as well as to generate a complete, or partial, manual of the contents of the bank if so desired. (orig.)

  7. Method and basis set investigation for trans-platinum(II oxime complex

    Directory of Open Access Journals (Sweden)

    Koray SAYIN

    2014-10-01

    Full Text Available The optimized molecular structure and stretching frequencies of platinum(II oxime complex were investigated with HF, MP2, pure and hybrid DFT methods. CEP-4G, CEP-31G, CEP-121G, LANL2DZ, LANL2MB and SDD basis sets were used in calculations. Correlation coefficients of bond lengths and angles, computational job cpu time and stretching frequencies were used to determine the best method and basis set. The results show that HF/CEP-31G is the best level for bond lengths, angles and computational job cpu time.  BPW91/CEP-31G is the best levels for stretching frequencies of oximato-bridged Pt(II complex.

  8. Development of new auxiliary basis functions of the Karlsruhe segmented contracted basis sets including diffuse basis functions (def2-SVPD, def2-TZVPPD, and def2-QVPPD) for RI-MP2 and RI-CC calculations.

    Science.gov (United States)

    Hellweg, Arnim; Rappoport, Dmitrij

    2015-01-14

    We report optimized auxiliary basis sets for use with the Karlsruhe segmented contracted basis sets including moderately diffuse basis functions (Rappoport and Furche, J. Chem. Phys., 2010, 133, 134105) in resolution-of-the-identity (RI) post-self-consistent field (post-SCF) computations for the elements H-Rn (except lanthanides). The errors of the RI approximation using optimized auxiliary basis sets are analyzed on a comprehensive test set of molecules containing the most common oxidation states of each element and do not exceed those of the corresponding unaugmented basis sets. During these studies an unsatisfying performance of the def2-SVP and def2-QZVPP auxiliary basis sets for Barium was found and improved sets are provided. We establish the versatility of the def2-SVPD, def2-TZVPPD, and def2-QZVPPD basis sets for RI-MP2 and RI-CC (coupled-cluster) energy and property calculations. The influence of diffuse basis functions on correlation energy, basis set superposition error, atomic electron affinity, dipole moments, and computational timings is evaluated at different levels of theory using benchmark sets and showcase examples.

  9. Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C.

    Science.gov (United States)

    Witte, Jonathon; Neaton, Jeffrey B; Head-Gordon, Martin

    2017-06-21

    With the aim of mitigating the basis set error in density functional theory (DFT) calculations employing local basis sets, we herein develop two empirical corrections for basis set superposition error (BSSE) in the def2-SVPD basis, a basis which-when stripped of BSSE-is capable of providing near-complete-basis DFT results for non-covalent interactions. Specifically, we adapt the existing pairwise geometrical counterpoise (gCP) approach to the def2-SVPD basis, and we develop a beyond-pairwise approach, DFT-C, which we parameterize across a small set of intermolecular interactions. Both gCP and DFT-C are evaluated against the traditional Boys-Bernardi counterpoise correction across a set of 3402 non-covalent binding energies and isomerization energies. We find that the DFT-C method represents a significant improvement over gCP, particularly for non-covalently-interacting molecular clusters. Moreover, DFT-C is transferable among density functionals and can be combined with existing functionals-such as B97M-V-to recover large-basis results at a fraction of the cost.

  10. Comparison of the CMAM30 data set with ACE-FTS and OSIRIS: polar regions

    Science.gov (United States)

    Pendlebury, D.; Plummer, D.; Scinocca, J.; Sheese, P.; Strong, K.; Walker, K.; Degenstein, D.

    2015-11-01

    CMAM30 is a 30-year data set extending from 1979 to 2010 that is generated using a version of the Canadian Middle Atmosphere Model (CMAM) in which the winds and temperatures are relaxed to the Interim Reanalysis product from the European Centre for Medium-Range Weather Forecasts (ERA-Interim). The data set has dynamical fields that are very close to the reanalysis below 1 hPa and chemical tracers that are self-consistent with respect to the model winds and temperature. The chemical tracers are expected to be close to actual observations. The data set is here compared to two satellite records - the Atmospheric Chemistry Experiment Fourier transform spectrometer and the Odin Optical Spectrograph and Infrared Imaging System - for the purpose of validating the temperature, ozone, water vapour and methane fields. Data from the Aura microwave limb sounder are also used for validation of the chemical processing in the polar vortex. It is found that the CMAM30 temperature is warmer by up to 5 K in the stratosphere, with a low bias in the mesosphere of ~ 5-15 K. Ozone is reasonable (±15 %), except near the tropopause globally and in the Southern Hemisphere winter polar vortex. Water vapour is consistently low by 10-20 %, with corresponding high methane of 10-20 %, except in the Southern Hemisphere polar vortex. Discrepancies in this region are shown to stem from the treatment of polar stratospheric cloud formation in the model.

  11. Correlation consistent basis sets for actinides. II. The atoms Ac and Np-Lr

    Science.gov (United States)

    Feng, Rulin; Peterson, Kirk A.

    2017-08-01

    New correlation consistent basis sets optimized using the all-electron third-order Douglas-Kroll-Hess (DKH3) scalar relativistic Hamiltonian are reported for the actinide elements Ac and Np through Lr. These complete the series of sets reported previously for Th-U [K. A. Peterson, J. Chem. Phys. 142, 074105 (2015); M. Vasiliu et al., J. Phys. Chem. A 119, 11422 (2015)]. The new sets range in size from double- to quadruple-zeta and encompass both those optimized for valence (6s6p5f7s6d) and outer-core electron correlations (valence + 5s5p5d). The final sets have been contracted for both the DKH3 and eXact 2-component (X2C) Hamiltonians, yielding cc-pVnZ-DK3/cc-pVnZ-X2C sets for valence correlation and cc-pwCVnZ-DK3/cc-pwCVnZ-X2C sets for outer-core correlation (n = D, T, Q in each case). In order to test the effectiveness of the new basis sets, both atomic and molecular benchmark calculations have been carried out. In the first case, the first three atomic ionization potentials (IPs) of all the actinide elements Ac-Lr have been calculated using the Feller-Peterson-Dixon (FPD) composite approach, primarily with the multireference configuration interaction (MRCI) method. Excellent convergence towards the respective complete basis set (CBS) limits is achieved with the new sets, leading to good agreement with experiment, where these exist, after accurately accounting for spin-orbit effects using the 4-component Dirac-Hartree-Fock method. For a molecular test, the IP and atomization energy (AE) of PuO2 have been calculated also using the FPD method but using a coupled cluster approach with spin-orbit coupling accounted for using the 4-component MRCI. The present calculations yield an IP0 for PuO2 of 159.8 kcal/mol, which is in excellent agreement with the experimental electron transfer bracketing value of 162 ± 3 kcal/mol. Likewise, the calculated 0 K AE of 305.6 kcal/mol is in very good agreement with the currently accepted experimental value of 303.1 ± 5 kcal

  12. Correlation consistent basis sets for actinides. II. The atoms Ac and Np-Lr.

    Science.gov (United States)

    Feng, Rulin; Peterson, Kirk A

    2017-08-28

    New correlation consistent basis sets optimized using the all-electron third-order Douglas-Kroll-Hess (DKH3) scalar relativistic Hamiltonian are reported for the actinide elements Ac and Np through Lr. These complete the series of sets reported previously for Th-U [K. A. Peterson, J. Chem. Phys. 142, 074105 (2015); M. Vasiliu et al., J. Phys. Chem. A 119, 11422 (2015)]. The new sets range in size from double- to quadruple-zeta and encompass both those optimized for valence (6s6p5f7s6d) and outer-core electron correlations (valence + 5s5p5d). The final sets have been contracted for both the DKH3 and eXact 2-component (X2C) Hamiltonians, yielding cc-pVnZ-DK3/cc-pVnZ-X2C sets for valence correlation and cc-pwCVnZ-DK3/cc-pwCVnZ-X2C sets for outer-core correlation (n = D, T, Q in each case). In order to test the effectiveness of the new basis sets, both atomic and molecular benchmark calculations have been carried out. In the first case, the first three atomic ionization potentials (IPs) of all the actinide elements Ac-Lr have been calculated using the Feller-Peterson-Dixon (FPD) composite approach, primarily with the multireference configuration interaction (MRCI) method. Excellent convergence towards the respective complete basis set (CBS) limits is achieved with the new sets, leading to good agreement with experiment, where these exist, after accurately accounting for spin-orbit effects using the 4-component Dirac-Hartree-Fock method. For a molecular test, the IP and atomization energy (AE) of PuO 2 have been calculated also using the FPD method but using a coupled cluster approach with spin-orbit coupling accounted for using the 4-component MRCI. The present calculations yield an IP 0 for PuO 2 of 159.8 kcal/mol, which is in excellent agreement with the experimental electron transfer bracketing value of 162 ± 3 kcal/mol. Likewise, the calculated 0 K AE of 305.6 kcal/mol is in very good agreement with the currently accepted experimental value of 303.1 ± 5 kcal

  13. Polarization observables in the longitudinal basis for pseudo-scalar meson photoproduction using a density matrix approach

    Energy Technology Data Exchange (ETDEWEB)

    Biplab Dey, Michael E. McCracken, David G. Ireland, Curtis A. Meyer

    2011-05-01

    The complete expression for the intensity in pseudo-scalar meson photoproduction with a polarized beam, target, and recoil baryon is derived using a density matrix approach that offers great economy of notation. A Cartesian basis with spins for all particles quantized along a single direction, the longitudinal beam direction, is used for consistency and clarity in interpretation. A single spin-quantization axis for all particles enables the amplitudes to be written in a manifestly covariant fashion with simple relations to those of the well-known CGLN formalism. Possible sign discrepancies between theoretical amplitude-level expressions and experimentally measurable intensity profiles are dealt with carefully. Our motivation is to provide a coherent framework for coupled-channel partial-wave analysis of several meson photoproduction reactions, incorporating recently published and forthcoming polarization data from Jefferson Lab.

  14. Symmetry-adapted basis sets automatic generation for problems in chemistry and physics

    CERN Document Server

    Avery, John Scales; Avery, James Emil

    2012-01-01

    In theoretical physics, theoretical chemistry and engineering, one often wishes to solve partial differential equations subject to a set of boundary conditions. This gives rise to eigenvalue problems of which some solutions may be very difficult to find. For example, the problem of finding eigenfunctions and eigenvalues for the Hamiltonian of a many-particle system is usually so difficult that it requires approximate methods, the most common of which is expansion of the eigenfunctions in terms of basis functions that obey the boundary conditions of the problem. The computational effort needed

  15. High Performance 3D PET Reconstruction Using Spherical Basis Functions on a Polar Grid

    Directory of Open Access Journals (Sweden)

    J. Cabello

    2012-01-01

    Full Text Available Statistical iterative methods are a widely used method of image reconstruction in emission tomography. Traditionally, the image space is modelled as a combination of cubic voxels as a matter of simplicity. After reconstruction, images are routinely filtered to reduce statistical noise at the cost of spatial resolution degradation. An alternative to produce lower noise during reconstruction is to model the image space with spherical basis functions. These basis functions overlap in space producing a significantly large number of non-zero elements in the system response matrix (SRM to store, which additionally leads to long reconstruction times. These two problems are partly overcome by exploiting spherical symmetries, although computation time is still slower compared to non-overlapping basis functions. In this work, we have implemented the reconstruction algorithm using Graphical Processing Unit (GPU technology for speed and a precomputed Monte-Carlo-calculated SRM for accuracy. The reconstruction time achieved using spherical basis functions on a GPU was 4.3 times faster than the Central Processing Unit (CPU and 2.5 times faster than a CPU-multi-core parallel implementation using eight cores. Overwriting hazards are minimized by combining a random line of response ordering and constrained atomic writing. Small differences in image quality were observed between implementations.

  16. Comparison study of finite element and basis set methods for finite size scaling

    International Nuclear Information System (INIS)

    Antillon, Edwin; Moy, Winton; Wei Qi; Kais, Sabre

    2009-01-01

    We compare two methods of obtaining critical parameters for a quantum Hamiltonian using a finite size scaling approach. A finite element and basis set method were used in conjunction with the finite size scaling to obtain the critical parameters for the Hulthen potential. The critical parameters obtained analytically were the coupling constant λ c =(1/2), the critical exponents for the energy α=2 and for the 'correlation length 'ν=1. The extrapolated results for finite size scaling with the basis set method are λ c =0.499 99, α=1.9960, and ν=0.999 10. The results for the finite element solutions are λ c =0.501 84, α=1.999 93, and ν=1.000 79 for the linear interpolation and λ c =0.500 00, α=2.000 11, and ν=1.000 32 for the Hermite interpolation. The results for each method compare very well with the analytical results obtained for the Hulthen potential. However, the finite element method is easier to implement and may be combined with ab initio and density functional theory to obtain quantum critical parameters for more complex systems.

  17. 42 CFR 415.170 - Conditions for payment on a fee schedule basis for physician services in a teaching setting.

    Science.gov (United States)

    2010-10-01

    ... physician services in a teaching setting. 415.170 Section 415.170 Public Health CENTERS FOR MEDICARE... BY PHYSICIANS IN PROVIDERS, SUPERVISING PHYSICIANS IN TEACHING SETTINGS, AND RESIDENTS IN CERTAIN SETTINGS Physician Services in Teaching Settings § 415.170 Conditions for payment on a fee schedule basis...

  18. Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set

    Science.gov (United States)

    Pemmaraju, C. D.; Vila, F. D.; Kas, J. J.; Sato, S. A.; Rehr, J. J.; Yabana, K.; Prendergast, David

    2018-05-01

    The interaction of laser fields with solid-state systems can be modeled efficiently within the velocity-gauge formalism of real-time time dependent density functional theory (RT-TDDFT). In this article, we discuss the implementation of the velocity-gauge RT-TDDFT equations for electron dynamics within a linear combination of atomic orbitals (LCAO) basis set framework. Numerical results obtained from our LCAO implementation, for the electronic response of periodic systems to both weak and intense laser fields, are compared to those obtained from established real-space grid and Full-Potential Linearized Augmented Planewave approaches. Potential applications of the LCAO based scheme in the context of extreme ultra-violet and soft X-ray spectroscopies involving core-electronic excitations are discussed.

  19. A two-dimensional volatility basis set – Part 3: Prognostic modeling and NOx dependence

    Directory of Open Access Journals (Sweden)

    W. K. Chuang

    2016-01-01

    Full Text Available When NOx is introduced to organic emissions, aerosol production is sometimes, but not always, reduced. Under certain conditions, these interactions will instead increase aerosol concentrations. We expanded the two-dimensional volatility basis set (2D-VBS to include the effects of NOx on aerosol formation. This includes the formation of organonitrates, where the addition of a nitrate group contributes to a decrease of 2.5 orders of magnitude in volatility. With this refinement, we model outputs from experimental results, such as the atomic N : C ratio, organonitrate mass, and nitrate fragments in Aerosol Mass Spectrometer (AMS measurements. We also discuss the mathematical methods underlying the implementation of the 2D-VBS and provide the complete code in the Supplement. A developer version is available on Bitbucket, an online community repository.

  20. First-principles Green's-function method for surface calculations: A pseudopotential localized basis set approach

    Science.gov (United States)

    Smidstrup, Søren; Stradi, Daniele; Wellendorff, Jess; Khomyakov, Petr A.; Vej-Hansen, Ulrik G.; Lee, Maeng-Eun; Ghosh, Tushar; Jónsson, Elvar; Jónsson, Hannes; Stokbro, Kurt

    2017-11-01

    We present an efficient implementation of a surface Green's-function method for atomistic modeling of surfaces within the framework of density functional theory using a pseudopotential localized basis set approach. In this method, the system is described as a truly semi-infinite solid with a surface region coupled to an electron reservoir, thereby overcoming several fundamental drawbacks of the traditional slab approach. The versatility of the method is demonstrated with several applications to surface physics and chemistry problems that are inherently difficult to address properly with the slab method, including metal work function calculations, band alignment in thin-film semiconductor heterostructures, surface states in metals and topological insulators, and surfaces in external electrical fields. Results obtained with the surface Green's-function method are compared to experimental measurements and slab calculations to demonstrate the accuracy of the approach.

  1. Near Hartree-Fock quality Gaussian type orbital basis sets for the first- and third-row atoms

    Science.gov (United States)

    Partridge, Harry

    1989-01-01

    Energy-optimized, near Hartree-Fock (NHF) quality Gaussian type orbital (GTO) basis sets are reported for the second-row (Li to Ne) and fourth-row (K to Kr) atoms. The most accurate basis sets reported for the second row are (18s 13p) sets which are with 4 micro E(H) of the numerical Hartree-Fock (NHF) results. For B to Ne basis sets with more than 15s functions are quadruple zeta in the valence space. For the second-row transition metal atoms the (20s 12p 9d) basis sets are triple zeta in the valence space and are approximately equivalent to Clementi and Roetti's accurate Slater type orbital sets. Supplementing the (20s 12p 9d) basis sets optimized for the lowest state with the 4s(2)3d(n) occupation with a diffuse d function gives self-consistent-field energy separations to the 4s(1)3d(n+1) and 3d(n+2) states which are within 100 micro E(H) of the NHF results. The most accurate basis sets for the transition metal atoms are with 30 micro E(H) of the NHF results. In addition, energy optimized sets are reported for He(3P), Li(2P) and Be(3P).

  2. Dynamic sensitivity analysis of long running landslide models through basis set expansion and meta-modelling

    Science.gov (United States)

    Rohmer, Jeremy

    2016-04-01

    Predicting the temporal evolution of landslides is typically supported by numerical modelling. Dynamic sensitivity analysis aims at assessing the influence of the landslide properties on the time-dependent predictions (e.g., time series of landslide displacements). Yet two major difficulties arise: 1. Global sensitivity analysis require running the landslide model a high number of times (> 1000), which may become impracticable when the landslide model has a high computation time cost (> several hours); 2. Landslide model outputs are not scalar, but function of time, i.e. they are n-dimensional vectors with n usually ranging from 100 to 1000. In this article, I explore the use of a basis set expansion, such as principal component analysis, to reduce the output dimensionality to a few components, each of them being interpreted as a dominant mode of variation in the overall structure of the temporal evolution. The computationally intensive calculation of the Sobol' indices for each of these components are then achieved through meta-modelling, i.e. by replacing the landslide model by a "costless-to-evaluate" approximation (e.g., a projection pursuit regression model). The methodology combining "basis set expansion - meta-model - Sobol' indices" is then applied to the La Frasse landslide to investigate the dynamic sensitivity analysis of the surface horizontal displacements to the slip surface properties during the pore pressure changes. I show how to extract information on the sensitivity of each main modes of temporal behaviour using a limited number (a few tens) of long running simulations. In particular, I identify the parameters, which trigger the occurrence of a turning point marking a shift between a regime of low values of landslide displacements and one of high values.

  3. First-Principles Calculation of Spin Transport in Magnetic Nanowire Using Green's Function Method with Localized Basis Set

    National Research Council Canada - National Science Library

    Kobayashi, Nobuhiko; Ozaki, Taisuke; Hirose, Kenji

    2006-01-01

    .... The electronic states are calculated using a numerical pseudo atomic orbital basis set in the frame work of the density functional theory, and the conductance is calculated using the Green's function method...

  4. Periodic boundary conditions for QM/MM calculations: Ewald summation for extended Gaussian basis sets

    International Nuclear Information System (INIS)

    Holden, Zachary C.; Richard, Ryan M.; Herbert, John M.

    2013-01-01

    An implementation of Ewald summation for use in mixed quantum mechanics/molecular mechanics (QM/MM) calculations is presented, which builds upon previous work by others that was limited to semi-empirical electronic structure for the QM region. Unlike previous work, our implementation describes the wave function's periodic images using “ChElPG” atomic charges, which are determined by fitting to the QM electrostatic potential evaluated on a real-space grid. This implementation is stable even for large Gaussian basis sets with diffuse exponents, and is thus appropriate when the QM region is described by a correlated wave function. Derivatives of the ChElPG charges with respect to the QM density matrix are a potentially serious bottleneck in this approach, so we introduce a ChElPG algorithm based on atom-centered Lebedev grids. The ChElPG charges thus obtained exhibit good rotational invariance even for sparse grids, enabling significant cost savings. Detailed analysis of the optimal choice of user-selected Ewald parameters, as well as timing breakdowns, is presented

  5. Crystal orbital Hamilton population (COHP) analysis as projected from plane-wave basis sets.

    Science.gov (United States)

    Deringer, Volker L; Tchougréeff, Andrei L; Dronskowski, Richard

    2011-06-02

    Simple, yet predictive bonding models are essential achievements of chemistry. In the solid state, in particular, they often appear in the form of visual bonding indicators. Because the latter require the crystal orbitals to be constructed from local basis sets, the application of the most popular density-functional theory codes (namely, those based on plane waves and pseudopotentials) appears as being ill-fitted to retrieve the chemical bonding information. In this paper, we describe a way to re-extract Hamilton-weighted populations from plane-wave electronic-structure calculations to develop a tool analogous to the familiar crystal orbital Hamilton population (COHP) method. We derive the new technique, dubbed "projected COHP" (pCOHP), and demonstrate its viability using examples of covalent, ionic, and metallic crystals (diamond, GaAs, CsCl, and Na). For the first time, this chemical bonding information is directly extracted from the results of plane-wave calculations. © 2011 American Chemical Society

  6. The Raman Spectrum of the Squarate (C4O4-2 Anion: An Ab Initio Basis Set Dependence Study

    Directory of Open Access Journals (Sweden)

    Miranda Sandro G. de

    2002-01-01

    Full Text Available The Raman excitation profile of the squarate anion, C4O4-2 , was calculated using ab initio methods at the Hartree-Fock using Linear Response Theory (LRT for six excitation frequencies: 632.5, 514.5, 488.0, 457.9, 363.8 and 337.1 nm. Five basis set functions (6-31G*, 6-31+G*, cc-pVDZ, aug-cc-pVDZ and Sadlej's polarizability basis set were investigated aiming to evaluate the performance of the 6-31G* set for numerical convergence and computational cost in relation to the larger basis sets. All basis sets reproduce the main spectroscopic features of the Raman spectrum of this anion for the excitation interval investigated. The 6-31G* basis set presented, on average, the same accuracy of numerical results as the larger sets but at a fraction of the computational cost showing that it is suitable for the theoretical investigation of the squarate dianion and its complexes and derivatives.

  7. The study of basis sets for the calculation of the structure and dynamics of the benzene-Kr complex

    Energy Technology Data Exchange (ETDEWEB)

    Shirkov, Leonid; Makarewicz, Jan, E-mail: jama@amu.edu.pl [Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89b, 61-614 Poznań (Poland)

    2015-05-28

    An ab initio intermolecular potential energy surface (PES) has been constructed for the benzene-krypton (BKr) van der Waals (vdW) complex. The interaction energy has been calculated at the coupled cluster level of theory with single, double, and perturbatively included triple excitations using different basis sets. As a result, a few analytical PESs of the complex have been determined. They allowed a prediction of the complex structure and its vibrational vdW states. The vibrational energy level pattern exhibits a distinct polyad structure. Comparison of the equilibrium structure, the dipole moment, and vibrational levels of BKr with their experimental counterparts has allowed us to design an optimal basis set composed of a small Dunning’s basis set for the benzene monomer, a larger effective core potential adapted basis set for Kr and additional midbond functions. Such a basis set yields vibrational energy levels that agree very well with the experimental ones as well as with those calculated from the available empirical PES derived from the microwave spectra of the BKr complex. The basis proposed can be applied to larger complexes including Kr because of a reasonable computational cost and accurate results.

  8. Linear scaling density matrix perturbation theory for basis-set-dependent quantum response calculations: an orthogonal formulation.

    Science.gov (United States)

    Niklasson, Anders M N; Weber, Valéry

    2007-08-14

    Linear scaling density matrix perturbation theory [A. M. N. Niklasson and M. Challacombe, Phys. Rev. Lett. 92, 193001 (2004)] is extended to basis-set-dependent quantum response calculations for a nonorthogonal basis set representation. The generalization is achieved by a perturbation-dependent congruence transform, derived from the factorization of the inverse overlap matrix, which transforms the generalized eigenvalue problem to an orthogonal, standard form. With this orthogonalization transform the basis-set-dependent perturbation in the overlap matrix is included in the orthogonalized Hamiltonian, which is expanded in orders of the perturbation. In this way density matrix perturbation theory developed for an orthogonal representation can be applied also to basis-set-dependent response calculations. The method offers an alternative to the previous solution of the basis-set-dependent response problem, based on a nonorthogonal generalization of the density matrix perturbation theory, where the calculations are performed within a purely nonorthogonal setting [A. M. N. Niklasson et al., J. Chem. Phys. 123, 44107 (2005)].

  9. Expressing clinical data sets with openEHR archetypes: a solid basis for ubiquitous computing.

    Science.gov (United States)

    Garde, Sebastian; Hovenga, Evelyn; Buck, Jasmin; Knaup, Petra

    2007-12-01

    The purpose of this paper is to analyse the feasibility and usefulness of expressing clinical data sets (CDSs) as openEHR archetypes. For this, we present an approach to transform CDS into archetypes, and outline typical problems with CDS and analyse whether some of these problems can be overcome by the use of archetypes. Literature review and analysis of a selection of existing Australian, German, other European and international CDSs; transfer of a CDS for Paediatric Oncology into openEHR archetypes; implementation of CDSs in application systems. To explore the feasibility of expressing CDS as archetypes an approach to transform existing CDSs into archetypes is presented in this paper. In case of the Paediatric Oncology CDS (which consists of 260 data items) this lead to the definition of 48 openEHR archetypes. To analyse the usefulness of expressing CDS as archetypes, we identified nine problems with CDS that currently remain unsolved without a common model underpinning the CDS. Typical problems include incompatible basic data types and overlapping and incompatible definitions of clinical content. A solution to most of these problems based on openEHR archetypes is motivated. With regard to integrity constraints, further research is required. While openEHR cannot overcome all barriers to Ubiquitous Computing, it can provide the common basis for ubiquitous presence of meaningful and computer-processable knowledge and information, which we believe is a basic requirement for Ubiquitous Computing. Expressing CDSs as openEHR archetypes is feasible and advantageous as it fosters semantic interoperability, supports ubiquitous computing, and helps to develop archetypes that are arguably of better quality than the original CDS.

  10. Intramolecular hydrogen bond: Can it be part of the basis set of ...

    Indian Academy of Sciences (India)

    It has been shown earlier1 that the relaxed force constants (RFCs) could be used as a measure of bond strength only when the bonds form a part of the complete valence internal coordinates (VIC) basis. However, if the bond is not a part of the complete VIC basis, its RFC is not necessarily a measure of bond strength.

  11. Evaluation of European air quality modelled by CAMx including the volatility basis set scheme

    Directory of Open Access Journals (Sweden)

    G. Ciarelli

    2016-08-01

    Full Text Available Four periods of EMEP (European Monitoring and Evaluation Programme intensive measurement campaigns (June 2006, January 2007, September–October 2008 and February–March 2009 were modelled using the regional air quality model CAMx with VBS (volatility basis set approach for the first time in Europe within the framework of the EURODELTA-III model intercomparison exercise. More detailed analysis and sensitivity tests were performed for the period of February–March 2009 and June 2006 to investigate the uncertainties in emissions as well as to improve the modelling of organic aerosol (OA. Model performance for selected gas phase species and PM2.5 was evaluated using the European air quality database AirBase. Sulfur dioxide (SO2 and ozone (O3 were found to be overestimated for all the four periods, with O3 having the largest mean bias during June 2006 and January–February 2007 periods (8.9 pbb and 12.3 ppb mean biases respectively. In contrast, nitrogen dioxide (NO2 and carbon monoxide (CO were found to be underestimated for all the four periods. CAMx reproduced both total concentrations and monthly variations of PM2.5 for all the four periods with average biases ranging from −2.1 to 1.0 µg m−3. Comparisons with AMS (aerosol mass spectrometer measurements at different sites in Europe during February–March 2009 showed that in general the model overpredicts the inorganic aerosol fraction and underpredicts the organic one, such that the good agreement for PM2.5 is partly due to compensation of errors. The effect of the choice of VBS scheme on OA was investigated as well. Two sensitivity tests with volatility distributions based on previous chamber and ambient measurements data were performed. For February–March 2009 the chamber case reduced the total OA concentrations by about 42 % on average. In contrast, a test based on ambient measurement data increased OA concentrations by about 42 % for the same period bringing

  12. Potential and matrix elements of the hamiltonian of internal rotation in molecules in the basis set of Mathieu functions

    Science.gov (United States)

    Turovtsev, V. V.; Orlov, Yu. D.; Tsirulev, A. N.

    2015-08-01

    The advantages of the orthonormal basis set of 2π-periodic Mathieu functions compared to the trigonometric basis set in calculations of torsional states of molecules are substantiated. Explicit expressions are derived for calculating the Hamiltonian matrix elements of a one-dimensional torsional Schrödinger equation with a periodic potential of the general form in the basis set of Mathieu functions. It is shown that variation of a parameter of Mathieu functions allows the rotation potential and the structural function to be approximated with a good accuracy by a small number of series terms. The conditions for the best choice of this parameter are specified, and approximations are obtained for torsional potentials of n-butane upon rotation about the central C-C bond and of its univalent radical n-butyl C2H5C·H2 upon rotation of the C·H2 group. All algorithms are implemented in the Maple package.

  13. Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems

    International Nuclear Information System (INIS)

    Brorsen, Kurt R.; Sirjoosingh, Andrew; Pak, Michael V.; Hammes-Schiffer, Sharon

    2015-01-01

    The nuclear electronic orbital (NEO) reduced explicitly correlated Hartree-Fock (RXCHF) approach couples select electronic orbitals to the nuclear orbital via Gaussian-type geminal functions. This approach is extended to enable the use of a restricted basis set for the explicitly correlated electronic orbitals and an open-shell treatment for the other electronic orbitals. The working equations are derived and the implementation is discussed for both extensions. The RXCHF method with a restricted basis set is applied to HCN and FHF − and is shown to agree quantitatively with results from RXCHF calculations with a full basis set. The number of many-particle integrals that must be calculated for these two molecules is reduced by over an order of magnitude with essentially no loss in accuracy, and the reduction factor will increase substantially for larger systems. Typically, the computational cost of RXCHF calculations with restricted basis sets will scale in terms of the number of basis functions centered on the quantum nucleus and the covalently bonded neighbor(s). In addition, the RXCHF method with an odd number of electrons that are not explicitly correlated to the nuclear orbital is implemented using a restricted open-shell formalism for these electrons. This method is applied to HCN + , and the nuclear densities are in qualitative agreement with grid-based calculations. Future work will focus on the significance of nonadiabatic effects in molecular systems and the further enhancement of the NEO-RXCHF approach to accurately describe such effects

  14. Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems.

    Science.gov (United States)

    Brorsen, Kurt R; Sirjoosingh, Andrew; Pak, Michael V; Hammes-Schiffer, Sharon

    2015-06-07

    The nuclear electronic orbital (NEO) reduced explicitly correlated Hartree-Fock (RXCHF) approach couples select electronic orbitals to the nuclear orbital via Gaussian-type geminal functions. This approach is extended to enable the use of a restricted basis set for the explicitly correlated electronic orbitals and an open-shell treatment for the other electronic orbitals. The working equations are derived and the implementation is discussed for both extensions. The RXCHF method with a restricted basis set is applied to HCN and FHF(-) and is shown to agree quantitatively with results from RXCHF calculations with a full basis set. The number of many-particle integrals that must be calculated for these two molecules is reduced by over an order of magnitude with essentially no loss in accuracy, and the reduction factor will increase substantially for larger systems. Typically, the computational cost of RXCHF calculations with restricted basis sets will scale in terms of the number of basis functions centered on the quantum nucleus and the covalently bonded neighbor(s). In addition, the RXCHF method with an odd number of electrons that are not explicitly correlated to the nuclear orbital is implemented using a restricted open-shell formalism for these electrons. This method is applied to HCN(+), and the nuclear densities are in qualitative agreement with grid-based calculations. Future work will focus on the significance of nonadiabatic effects in molecular systems and the further enhancement of the NEO-RXCHF approach to accurately describe such effects.

  15. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements

    Science.gov (United States)

    Hill, J. Grant; Peterson, Kirk A.

    2017-12-01

    New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

  16. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements.

    Science.gov (United States)

    Hill, J Grant; Peterson, Kirk A

    2017-12-28

    New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

  17. MECHANISMS OF PRIMARY RECEPTION OF ELECTROMAGNETIC WAVES OF OPTICAL RANGE AS A BIOPHYSICAL BASIS OF POLARIZED LIGHT THERAPY

    Directory of Open Access Journals (Sweden)

    S. O. Hulyar

    2015-09-01

    Full Text Available An existence of separate functional system of electromagnetic balance regulation has been substantiated and a working conception of light puncture has been formulated. As a basis, there is a possibility to use the acupuncture points for input of biologically necessary electromagnetic waves into the system of their conductors in a body that might be considered as a transport facility for energy ofthe polarized electromagnetic waves. Zones-recipients are organs having an electromagnetic disbalance due to excess of biologically inadequate radiation and being the targets for peroxide oxidation, foremost, a body has the neurohormonal and immune regulatory systems. Electromagnetic stimulation or modification of functions of the zones-recipients determines achievement of therapeutic and useful effects, and their combination with local reparative processes allows attaining a clinical goal. We represent own and literary experimental data about development of physiological responses (analgesia, bronchospasm control, immune stimulation and inhibition of peroxide oxidation of lipids to BIOPTRON-light exposure on the acupuncture points or biologically active zones. We show the experimental facts in support of a hypothesis that a living organism can perceive an action of the electromagnetic waves of optical range not only via the visual system, but also through the off-nerve receptors (specific energy-sensitive proteins detecting critical changes of energy in cells and functioning as the "sensory" cell systems, as well as via the acupuncture points. This confirms an important role of the electromagnetic waves of optical range in providing normal vital functions of living organisms. A current approach to BIOPTRON light therapy consists in combined (local and system exposure of the electromagnetic waves within the biologically necessary range.

  18. Formation and physical characteristics of van der Waals molecules, cations, and anions: Estimates of complete basis set values

    Czech Academy of Sciences Publication Activity Database

    Zahradník, Rudolf; Šroubková, Libuše

    2005-01-01

    Roč. 104, č. 1 (2005), s. 52-63 ISSN 0020-7608 Institutional research plan: CEZ:AV0Z40400503 Keywords : intermolecular complexes * van der Waals species * ab initio calculations * complete basis set values * estimates Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.192, year: 2005

  19. Typed Sets as a Basis for Object-Oriented Database Schemas

    NARCIS (Netherlands)

    Balsters, H.; de By, R.A.; Zicari, R.

    The object-oriented data model TM is a language that is based on the formal theory of FM, a typed language with object-oriented features such as attributes and methods in the presence of subtyping. The general (typed) set constructs of FM allow one to deal with (database) constraints in TM. The

  20. Many-Body Energy Decomposition with Basis Set Superposition Error Corrections.

    Science.gov (United States)

    Mayer, István; Bakó, Imre

    2017-05-09

    The problem of performing many-body decompositions of energy is considered in the case when BSSE corrections are also performed. It is discussed that the two different schemes that have been proposed go back to the two different interpretations of the original Boys-Bernardi counterpoise correction scheme. It is argued that from the physical point of view the "hierarchical" scheme of Valiron and Mayer should be preferred and not the scheme recently discussed by Ouyang and Bettens, because it permits the energy of the individual monomers and all the two-body, three-body, etc. energy components to be free of unphysical dependence on the arrangement (basis functions) of other subsystems in the cluster.

  1. Investigation of confined hydrogen atom in spherical cavity, using B-splines basis set

    Directory of Open Access Journals (Sweden)

    M Barezi

    2011-03-01

    Full Text Available Studying confined quantum systems (CQS is very important in nano technology. One of the basic CQS is a hydrogen atom confined in spherical cavity. In this article, eigenenergies and eigenfunctions of hydrogen atom in spherical cavity are calculated, using linear variational method. B-splines are used as basis functions, which can easily construct the trial wave functions with appropriate boundary conditions. The main characteristics of B-spline are its high localization and its flexibility. Besides, these functions have numerical stability and are able to spend high volume of calculation with good accuracy. The energy levels as function of cavity radius are analyzed. To check the validity and efficiency of the proposed method, extensive convergence test of eigenenergies in different cavity sizes has been carried out.

  2. The prefabricated building risk decision research of DM technology on the basis of Rough Set

    Science.gov (United States)

    Guo, Z. L.; Zhang, W. B.; Ma, L. H.

    2017-08-01

    With the resources crises and more serious pollution, the green building has been strongly advocated by most countries and become a new building style in the construction field. Compared with traditional building, the prefabricated building has its own irreplaceable advantages but is influenced by many uncertainties. So far, a majority of scholars have been studying based on qualitative researches from all of the word. This paper profoundly expounds its significance about the prefabricated building. On the premise of the existing research methods, combined with rough set theory, this paper redefines the factors which affect the prefabricated building risk. Moreover, it quantifies risk factors and establish an expert knowledge base through assessing. And then reduced risk factors about the redundant attributes and attribute values, finally form the simplest decision rule. This simplest decision rule, which is based on the DM technology of rough set theory, provides prefabricated building with a controllable new decision-making method.

  3. Prolapse-free relativistic Gaussian basis sets for the superheavy elements up to Uuo (Z = 118) and Lr (Z = 103)

    International Nuclear Information System (INIS)

    Macedo, Luiz Guilherme M de; Borin, Antonio Carlos; Silva, Alberico B.F. da

    2007-01-01

    Prolapse-free basis sets suitable for four-component relativistic quantum chemical calculations are presented for the superheavy elements up to 118 Uuo ( 104 Rf, 105 Db, 106 Sg, 107 Bh, 108 Hs, 109 Mt, 110 Ds, 111 Rg, 112 Uub, 113 Uut, 114 Uuq, 115 Uup, 116 Uuh, 117 Uus, 118 Uuo) and 103 Lr. These basis sets were optimized by minimizing the absolute values of the energy difference between the Dirac-Fock-Roothaan total energy and the corresponding numerical value at a milli-Hartree order of magnitude, resulting in a good balance between cost and accuracy. Parameters for generating exponents and new numerical data for some superheavy elements are also presented

  4. On the Nature of Bonding in Lone Pair ...pi-Electron Complexes: CCSD(T)/Complete Basis Set Limit Calculations

    Czech Academy of Sciences Publication Activity Database

    Ran, Jiong; Hobza, Pavel

    2009-01-01

    Roč. 5, č. 4 (2009), s. 1180-1185 ISSN 1549-9618 R&D Projects: GA MŠk LC512; GA AV ČR IAA400550510 Institutional research plan: CEZ:AV0Z40550506 Keywords : lone pair...pi-electron complexes * nature of bonding * CCSD(T)/ complete basis set limit calculations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.804, year: 2009

  5. Lithium photoionization cross-section and dynamic polarizability using square integrable basis sets and correlated wave functions

    International Nuclear Information System (INIS)

    Hollauer, E.; Nascimento, M.A.C.

    1985-01-01

    The photoionization cross-section and dynamic polarizability for lithium atom are calculated using a discrete basis set to represent both the bound and the continuum-states of the atom, to construct an approximation to the dynamic polarizability. From the imaginary part of the complex dynamic polarizability one extracts the photoionization cross-section and from its real part the dynamic polarizability. The results are in good agreement with the experiments and other more elaborate calculations (Author) [pt

  6. Three-body problem in quantum mechanics: Hyperspherical elliptic coordinates and harmonic basis sets

    International Nuclear Information System (INIS)

    Aquilanti, Vincenzo; Tonzani, Stefano

    2004-01-01

    Elliptic coordinates within the hyperspherical formalism for three-body problems were proposed some time ago [V. Aquilanti, S. Cavalli, and G. Grossi, J. Chem. Phys. 85, 1362 (1986)] and recently have also found application, for example, in chemical reaction theory [see O. I. Tolstikhin and H. Nakamura, J. Chem. Phys. 108, 8899 (1998)]. Here we consider their role in providing a smooth transition between the known 'symmetric' and 'asymmetric' parametrizations, and focus on the corresponding hyperspherical harmonics. These harmonics, which will be called hyperspherical elliptic, involve products of two associated Lame polynomials. We will provide an expansion of these new sets in a finite series of standard hyperspherical harmonics, producing a powerful tool for future applications in the field of scattering and bound-state quantum-mechanical three-body problems

  7. Kinetic energy classification and smoothing for compact B-spline basis sets in quantum Monte Carlo

    Science.gov (United States)

    Krogel, Jaron T.; Reboredo, Fernando A.

    2018-01-01

    Quantum Monte Carlo calculations of defect properties of transition metal oxides have become feasible in recent years due to increases in computing power. As the system size has grown, availability of on-node memory has become a limiting factor. Saving memory while minimizing computational cost is now a priority. The main growth in memory demand stems from the B-spline representation of the single particle orbitals, especially for heavier elements such as transition metals where semi-core states are present. Despite the associated memory costs, splines are computationally efficient. In this work, we explore alternatives to reduce the memory usage of splined orbitals without significantly affecting numerical fidelity or computational efficiency. We make use of the kinetic energy operator to both classify and smooth the occupied set of orbitals prior to splining. By using a partitioning scheme based on the per-orbital kinetic energy distributions, we show that memory savings of about 50% is possible for select transition metal oxide systems. For production supercells of practical interest, our scheme incurs a performance penalty of less than 5%.

  8. Harmonic Vibrational Frequencies: Approximate Global Scaling Factors for TPSS, M06, and M11 functional families using several common basis sets

    Science.gov (United States)

    Kashinski, D. O.; Nelson, R. G.; Chase, G. M.; di Nallo, O. E.; Byrd, E. F. C.

    2017-04-01

    We propose new approximate global multiplicative scaling factors for the DFT calculation of harmonic vibrational frequencies using functionals from the TPSS, M06, and M11 functional families with standard Correlation Consistent cc-pV xZ and aug-cc-pV xZ (x = D, T and Q), 6-311G split valence family, as well as Sadlej, and Sapporo polarized triple- ζ basis sets. A total of 99 harmonic frequencies are being calculated for 26 gas phase organic and non-organic molecules typically found in detonated solid propellant residue. The approximate multiplicative scaling factors and associated uncertainties are being determined using a least squares approach comparing the computed harmonic frequencies to experimental counterparts well established in the scientific literature. A comparison of our work to previously published global scaling factors will be made to verify method reliability and the applicability of our molecular test set. An update on the progress of this work will be given at the meeting. work supported by the ARL, DoD-HPCMP, and USMA.

  9. On the convergence of zero-point vibrational corrections to nuclear shieldings and shielding anisotropies towards the complete basis set limit in water

    DEFF Research Database (Denmark)

    Faber, Rasmus; Buczek, Aneta; Kupka, Teobald

    2017-01-01

    The method and basis set dependence of zero-point vibrational corrections (ZPVC) to NMR shielding constants and anisotropies has been investigated using water as a test system. A systematic comparison has been made using the Hartree-Fock (HF), second-order Møller-Plesset perturbation theory (MP2...... convergence of the vibrational corrections is not monotonic and that very large basis sets are needed before a reasonable extrapolation to the basis set limit can be performed. Furthermore, our results suggest that coupled cluster methods and a decent basis set are required before the error of the electronic...

  10. Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Witte, Jonathon [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Neaton, Jeffrey B. [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States); Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720 (United States); Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2016-05-21

    With the aim of systematically characterizing the convergence of common families of basis sets such that general recommendations for basis sets can be made, we have tested a wide variety of basis sets against complete-basis binding energies across the S22 set of intermolecular interactions—noncovalent interactions of small and medium-sized molecules consisting of first- and second-row atoms—with three distinct density functional approximations: SPW92, a form of local-density approximation; B3LYP, a global hybrid generalized gradient approximation; and B97M-V, a meta-generalized gradient approximation with nonlocal correlation. We have found that it is remarkably difficult to reach the basis set limit; for the methods and systems examined, the most complete basis is Jensen’s pc-4. The Dunning correlation-consistent sequence of basis sets converges slowly relative to the Jensen sequence. The Karlsruhe basis sets are quite cost effective, particularly when a correction for basis set superposition error is applied: counterpoise-corrected def2-SVPD binding energies are better than corresponding energies computed in comparably sized Dunning and Jensen bases, and on par with uncorrected results in basis sets 3-4 times larger. These trends are exhibited regardless of the level of density functional approximation employed. A sense of the magnitude of the intrinsic incompleteness error of each basis set not only provides a foundation for guiding basis set choice in future studies but also facilitates quantitative comparison of existing studies on similar types of systems.

  11. A quantum molecular similarity analysis of changes in molecular electron density caused by basis set flotation and electric field application

    Science.gov (United States)

    Simon, Sílvia; Duran, Miquel

    1997-08-01

    Quantum molecular similarity (QMS) techniques are used to assess the response of the electron density of various small molecules to application of a static, uniform electric field. Likewise, QMS is used to analyze the changes in electron density generated by the process of floating a basis set. The results obtained show an interrelation between the floating process, the optimum geometry, and the presence of an external field. Cases involving the Le Chatelier principle are discussed, and an insight on the changes of bond critical point properties, self-similarity values and density differences is performed.

  12. Globally Accurate Potential Energy Surface for HCS(A2A'') by Extrapolation to Complete Basis Set Limit.

    Science.gov (United States)

    Zhang, Lu-Lu; Song, Yu-Zhi; Gao, Shou-Bao; Meng, Qing-Tian

    2018-04-16

    A global potential energy surface (PES) representation of the C( 3 P) + SH(X 2 ∏) → H( 2 S) + CS(a 3 ∏) system is developed by fitting a wealth of accurate ab initio energies calculated at the multireference configuration interaction level using aug-cc-pVQZ and aug-cc-pV5Z basis sets via extrapolation to the complete basis set limit. The topographical features of the present PES are examined in detail and found to be in good agreement with previous calculations available in the literature. By utilizing the PES of HCS(A2A''), the corresponding reaction is investigated using quasi-classical trajectory (QCT) method in the collision energy range of 0.08 - 1.0 eV. The minimum energy paths (MEPs) calculated based on the present PES indicate that the titled reaction is exothermic, with the exothermicity being ∼ 0.204 eV. The calculation for the capture time indicates that at lower collision energy, the reaction is mainly governed by the indirect mechanism, while for higher collision energy, the direct mechanism and indirect mechanisms coexist with the latter being the dominant contributor.

  13. Produced Water Treatment Using the Switchable Polarity Solvent Forward Osmosis (SPS FO) Desalination Process: Preliminary Engineering Design Basis

    Energy Technology Data Exchange (ETDEWEB)

    Wendt, Daniel; Adhikari, Birendra; Orme, Christopher; Wilson, Aaron

    2016-05-01

    Switchable Polarity Solvent Forward Osmosis (SPS FO) is a semi-permeable membrane-based water treatment technology. INL is currently advancing SPS FO technology such that a prototype unit can be designed and demonstrated for the purification of produced water from oil and gas production operations. The SPS FO prototype unit will used the thermal energy in the produced water as a source of process heat, thereby reducing the external process energy demands. Treatment of the produced water stream will reduce the volume of saline wastewater requiring disposal via injection, an activity that is correlated with undesirable seismic events, as well as generate a purified product water stream with potential beneficial uses. This paper summarizes experimental data that has been collected in support of the SPS FO scale-up effort, and describes how this data will be used in the sizing of SPS FO process equipment. An estimate of produced water treatment costs using the SPS FO process is also provided.

  14. New STO(II-3Gmag family basis sets for the calculations of the molecules magnetic properties

    Directory of Open Access Journals (Sweden)

    Karina Kapusta

    2015-10-01

    Full Text Available An efficient approach for construction of physically justified STO(II-3Gmag family basis sets for calculation of molecules magnetic properties has been proposed. The procedure of construction based upon the taken into account the second order of perturbation theory in the magnetic field case. Analytical form of correction functions has been obtained using the closed representation of the Green functions by the solution of nonhomogeneous Schrödinger equation for the model problem of "one-electron atom in the external uniform magnetic field". Their performance has been evaluated for the DFT level calculations carried out with a number of functionals. The test calculations of magnetic susceptibility and 1H nuclear magnetic shielding tensors demonstrated a good agreement of the calculated values with the experimental data.

  15. Simulations of smog-chamber experiments using the two-dimensional volatility basis set: linear oxygenated precursors.

    Science.gov (United States)

    Chacon-Madrid, Heber J; Murphy, Benjamin N; Pandis, Spyros N; Donahue, Neil M

    2012-10-16

    We use a two-dimensional volatility basis set (2D-VBS) box model to simulate secondary organic aerosol (SOA) mass yields of linear oxygenated molecules: n-tridecanal, 2- and 7-tridecanone, 2- and 7-tridecanol, and n-pentadecane. A hybrid model with explicit, a priori treatment of the first-generation products for each precursor molecule, followed by a generic 2D-VBS mechanism for later-generation chemistry, results in excellent model-measurement agreement. This strongly confirms that the 2D-VBS mechanism is a predictive tool for SOA modeling but also suggests that certain important first-generation products for major primary SOA precursors should be treated explicitly for optimal SOA predictions.

  16. Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set.

    Science.gov (United States)

    Oberhofer, Harald; Blumberger, Jochen

    2010-12-28

    We present a plane wave basis set implementation for the calculation of electronic coupling matrix elements of electron transfer reactions within the framework of constrained density functional theory (CDFT). Following the work of Wu and Van Voorhis [J. Chem. Phys. 125, 164105 (2006)], the diabatic wavefunctions are approximated by the Kohn-Sham determinants obtained from CDFT calculations, and the coupling matrix element calculated by an efficient integration scheme. Our results for intermolecular electron transfer in small systems agree very well with high-level ab initio calculations based on generalized Mulliken-Hush theory, and with previous local basis set CDFT calculations. The effect of thermal fluctuations on the coupling matrix element is demonstrated for intramolecular electron transfer in the tetrathiafulvalene-diquinone (Q-TTF-Q(-)) anion. Sampling the electronic coupling along density functional based molecular dynamics trajectories, we find that thermal fluctuations, in particular the slow bending motion of the molecule, can lead to changes in the instantaneous electron transfer rate by more than an order of magnitude. The thermal average, ()(1/2)=6.7 mH, is significantly higher than the value obtained for the minimum energy structure, |H(ab)|=3.8 mH. While CDFT in combination with generalized gradient approximation (GGA) functionals describes the intermolecular electron transfer in the studied systems well, exact exchange is required for Q-TTF-Q(-) in order to obtain coupling matrix elements in agreement with experiment (3.9 mH). The implementation presented opens up the possibility to compute electronic coupling matrix elements for extended systems where donor, acceptor, and the environment are treated at the quantum mechanical (QM) level.

  17. Pros and cons of using the informed basis set to account for hemodynamic response variability with developmental data

    Directory of Open Access Journals (Sweden)

    Fabien Cignetti

    2016-07-01

    Full Text Available Conventional analysis of functional magnetic resonance imaging (fMRI data using the general linear model (GLM employs a neural model convolved with a canonical hemodynamic response function (HRF peaking 5s after stimulation. Incorporation of a further basis function, namely the canonical HRF temporal derivative, accounts for delays in the hemodynamic response to neural activity. A population that may benefit from this flexible approach is children whose hemodynamic response is not yet mature. Here, we examined the effects of using the set based on the canonical HRF plus its temporal derivative on both first- and second-level GLM analyses, through simulations and using developmental data (an fMRI dataset on proprioceptive mapping in children and adults. Simulations of delayed fMRI first-level data emphasized the benefit of carrying forward to the second-level a derivative boost that combines derivative and nonderivative beta estimates. In the experimental data, second-level analysis using a paired t-test showed increased mean amplitude estimate (i.e., increased group contrast mean in several brain regions related to proprioceptive processing when using the derivative boost compared to using only the nonderivative term. This was true especially in children. However, carrying forward to the second-level the individual derivative boosts had adverse consequences on random-effects analysis that implemented one-sample t-test, yielding increased between-subject variance, thus affecting group-level statistic. Boosted data also presented a lower level of smoothness that had implication for the detection of group average activation. Imposing soft constraints on the derivative boost by limiting the time-to-peak range of the modelled response within a specified range (i.e., 4-6s mitigated these issues. These findings support the notion that there are pros and cons to using the informed basis set with developmental data.

  18. Quantitative light fluorescence (QLF) and polarized white light (PWL) assessments of dental fluorosis in an epidemiological setting.

    Science.gov (United States)

    Pretty, Iain A; McGrady, Michael; Zakian, Christian; Ellwood, Roger P; Taylor, Andrew; Sharif, Mohammed Owaise; Iafolla, Timothy; Martinez-Mier, E Angeles; Srisilapanan, Patcharawan; Korwanich, Narumanas; Goodwin, Michaela; Dye, Bruce A

    2012-05-20

    To determine if a novel dual camera imaging system employing both polarized white light (PWL) and quantitative light induced fluorescence imaging (QLF) is appropriate for measuring enamel fluorosis in an epidemiological setting. The use of remote and objective scoring systems is of importance in fluorosis assessments due to the potential risk of examiner bias using clinical methods. Subjects were recruited from a panel previously characterized for fluorosis and caries to ensure a range of fluorosis presentation. A total of 164 children, aged 11 years (±1.3) participated following consent. Each child was examined using the novel imaging system, a traditional digital SLR camera, and clinically using the Dean's and Thylstrup and Fejerskov (TF) Indices on the upper central and lateral incisors. Polarized white light and SLR images were scored for both Dean's and TF indices by raters and fluorescence images were automatically scored using software. Data from 164 children were available with a good distribution of fluorosis severity. The automated software analysis of QLF images demonstrated significant correlations with the clinical examinations for both Dean's and TF index. Agreement (measured by weighted Kappa's) between examiners scoring clinically, from polarized photographs and from SLR images ranged from 0.56 to 0.92. The study suggests that the use of a digital imaging system to capture images for either automated software analysis, or remote assessment by raters is suitable for epidemiological work. The use of recorded images enables study archiving, assessment by multiple examiners, remote assessment and objectivity due to the blinding of subject status.

  19. Quantitative Light Fluorescence (QLF and Polarized White Light (PWL assessments of dental fluorosis in an epidemiological setting

    Directory of Open Access Journals (Sweden)

    Pretty Iain A

    2012-05-01

    Full Text Available Abstract Background To determine if a novel dual camera imaging system employing both polarized white light (PWL and quantitative light induced fluorescence imaging (QLF is appropriate for measuring enamel fluorosis in an epidemiological setting. The use of remote and objective scoring systems is of importance in fluorosis assessments due to the potential risk of examiner bias using clinical methods. Methods Subjects were recruited from a panel previously characterized for fluorosis and caries to ensure a range of fluorosis presentation. A total of 164 children, aged 11 years (±1.3 participated following consent. Each child was examined using the novel imaging system, a traditional digital SLR camera, and clinically using the Dean’s and Thylstrup and Fejerskov (TF Indices on the upper central and lateral incisors. Polarized white light and SLR images were scored for both Dean’s and TF indices by raters and fluorescence images were automatically scored using software. Results Data from 164 children were available with a good distribution of fluorosis severity. The automated software analysis of QLF images demonstrated significant correlations with the clinical examinations for both Dean’s and TF index. Agreement (measured by weighted Kappa’s between examiners scoring clinically, from polarized photographs and from SLR images ranged from 0.56 to 0.92. Conclusions The study suggests that the use of a digital imaging system to capture images for either automated software analysis, or remote assessment by raters is suitable for epidemiological work. The use of recorded images enables study archiving, assessment by multiple examiners, remote assessment and objectivity due to the blinding of subject status.

  20. Design of cognitive engine for cognitive radio based on the rough sets and radial basis function neural network

    Science.gov (United States)

    Yang, Yanchao; Jiang, Hong; Liu, Congbin; Lan, Zhongli

    2013-03-01

    Cognitive radio (CR) is an intelligent wireless communication system which can dynamically adjust the parameters to improve system performance depending on the environmental change and quality of service. The core technology for CR is the design of cognitive engine, which introduces reasoning and learning methods in the field of artificial intelligence, to achieve the perception, adaptation and learning capability. Considering the dynamical wireless environment and demands, this paper proposes a design of cognitive engine based on the rough sets (RS) and radial basis function neural network (RBF_NN). The method uses experienced knowledge and environment information processed by RS module to train the RBF_NN, and then the learning model is used to reconfigure communication parameters to allocate resources rationally and improve system performance. After training learning model, the performance is evaluated according to two benchmark functions. The simulation results demonstrate the effectiveness of the model and the proposed cognitive engine can effectively achieve the goal of learning and reconfiguration in cognitive radio.

  1. Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations

    Science.gov (United States)

    Zhang, Gaigong; Lin, Lin; Hu, Wei; Yang, Chao; Pask, John E.

    2017-04-01

    Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn-Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically improvable for total energy calculations. In this paper, we present the calculation of atomic forces, which can be used for a range of applications such as geometry optimization and molecular dynamics simulation. We demonstrate that, under mild assumptions, the computation of atomic forces can scale nearly linearly with the number of atoms in the system using the adaptive local basis set. We quantify the accuracy of the Hellmann-Feynman forces for a range of physical systems, benchmarked against converged planewave calculations, and find that the adaptive local basis set is efficient for both force and energy calculations, requiring at most a few tens of basis functions per atom to attain accuracies required in practice. Since the adaptive local basis set has implicit dependence on atomic positions, Pulay forces are in general nonzero. However, we find that the Pulay force is numerically small and systematically decreasing with increasing basis completeness, so that the Hellmann-Feynman force is sufficient for basis sizes of a few tens of basis functions per atom. We verify the accuracy of the computed forces in static calculations of quasi-1D and 3D disordered Si systems, vibration calculation of a quasi-1D Si system, and molecular dynamics calculations of H2 and liquid Al-Si alloy systems, where we show systematic convergence to benchmark planewave results and results from the literature.

  2. Estimation of isotropic nuclear magnetic shieldings in the CCSD(T) and MP2 complete basis set limit using affordable correlation calculations

    DEFF Research Database (Denmark)

    Kupka, Teobald; Stachów, Michal; Kaminsky, Jakub

    2013-01-01

    A linear correlation between isotropic nuclear magnetic shielding constants for seven model molecules (CH2O, H2O, HF, F2, HCN, SiH4 and H2S) calculated with 37 methods (34 density functionals, RHF, MP2 and CCSD(T) ), with affordable pcS-2 basis set and corresponding complete basis set results......, estimated from calculations with the family of polarizationconsistent pcS-n basis sets is reported. This dependence was also supported by inspection of profiles of deviation between CBS estimated nuclear shieldings and obtained with significantly smaller basis sets pcS-2 and aug-cc-pVTZ-J for the selected...... set of 37 calculation methods. It was possible to formulate a practical approach of estimating the values of isotropic nuclear magnetic shielding constants at the CCSD(T)/CBS and MP2/CBS levels from affordable CCSD(T)/pcS-2, MP2/pcS-2 and DFT/CBS calculations with pcS-n basis sets. The proposed method...

  3. Connecting the solubility and CCN activation of complex organic aerosols: A theoretical study using the Solubility Basis Set (SBS)

    Science.gov (United States)

    Rastak, Narges; Riipinen, Ilona; Pandis, Spyros

    2015-04-01

    INTRODUCTION Organic aerosol particles often consist of thousands of compounds with different properties. One of these properties is solubility, which affects the hygroscopic growth and CCN activation of the organic particles. Here we investigate the CCN activation behavior of complex organic aerosols accounting for the distribution of solubilities present in these mixtures. METHODS We considered a monodisperse population of spherical aerosol particles consisting of an internal mixture of organic compounds. When exposed to water vapor, these particles were assumed to grow reaching a thermodynamic equilibrium between the water vapor and the particle phase. The composition of the organic and aqueous phases was determined on one hand by the equilibrium between the aqueous phase and water vapor, and on the other hand by the equilibrium of the aqueous phase with the organic insoluble phase. We modelled the mixtures with the help of a solubility basis set (SBS, analogous to the volatility basis set VBS, Donahue et al. 2006, 2011, 2012), describing the mixture with n surrogate compounds with varying solubilities. We varied the range and shape of the solubility distribution, and the number of components n in the distribution, we also assumed two different kinds of interactions between the organic compounds in the insoluble phase 1) ideal mixture, where organics limit each other's dissolution; 2) unity activity, where organics behave as pure compounds and do not influence each other's dissolution. Critical supersaturations and the dissolution behavior at the point of CCN activation were calculated utilizing the Köhler theory for all organic mixtures (denoted here as the "full model"). The full model predictions were compared with the three simplified models: 1) assuming complete dissolution of all compounds; 2) treating the organic mixture solubility with the hygroscopicity parameter κ and 3) assuming a fixed soluble fraction ɛ for each mixture. RESULTS AND CONCLUSIONS

  4. Highly accurate CCSD(R12) and CCSD(F12) optical response properties using standard triple-ζ basis sets

    Science.gov (United States)

    Yang, Jun; Hättig, Christof

    2009-08-01

    Coupled-cluster response theory for frequency-dependent optical properties within the coupled-cluster singles-and-doubles model (CCSD) has been derived and implemented for ansatz 2 of the explicitly correlated CCSD(R12) and CCSD(F12) methods as part of the program package DALTON. The basis set convergence of static dipole moments, polarizabilities, and parallel averages of first and second hyperpolarizabilities has been investigated for Ne, BH, N2, CO, and BF. The frequency-dependent results are presented for the electronic second-harmonic generation of N2. With triple-ζ basis sets, the CCSD(F12) correlation contributions using ansatz 2 are close to the basis set limits for dipole moments and second hyperpolarizabilities; the CCSD(R12) results are better than the CCSD results obtained with at least quintuple-ζ basis sets for polarizabilities and first hyperpolarizabilities. The exponent of Slater-type correlation factor for CCSD(F12) ground state energy may not be optimal and has to be re-examined for response properties. We also suggest that the remaining one-electron basis set errors arising within the coupled-cluster singles should be reduced by allowing excitations into the auxiliary orbital space.

  5. Atom-Centered Potentials with Dispersion-Corrected Minimal-Basis-Set Hartree-Fock: An Efficient and Accurate Computational Approach for Large Molecular Systems.

    Science.gov (United States)

    Prasad, Viki Kumar; Otero-de-la-Roza, Alberto; DiLabio, Gino A

    2018-02-13

    We present a computational methodology based on atom-centered potentials (ACPs) for the efficient and accurate structural modeling of large molecular systems. ACPs are atom-centered one-electron potentials that have the same functional form as effective-core potentials. In recent works, we showed that ACPs can be used to produce a correction to the ground-state wave function and electronic energy to alleviate shortcomings in the underlying model chemistry. In this work, we present ACPs for H, C, N, and O atoms that are specifically designed to predict accurate non-covalent binding energies and inter- and intramolecular geometries when combined with dispersion-corrected Hartree-Fock (HF-D3) and a minimal basis-set (scaled MINI or MINIs). For example, the combined HF-D3/MINIs-ACP method demonstrates excellent performance, with mean absolute errors of 0.36 and 0.28 kcal/mol for the S22x5 and S66x8 benchmark sets, respectively, relative to highly correlated complete-basis-set data. The application of ACPs results in a significant decrease in error compared to uncorrected HF-D3/MINIs for all benchmark sets examined. In addition, HF-D3/MINIs-ACP, has a cost only slightly higher than a minimal-basis-set HF calculation and can be used with any electronic structure program for molecular quantum chemistry that uses Gaussian basis sets and effective-core potentials.

  6. Will the changes proposed to the conceptual framework’s definitions and recognition criteria provide a better basis for the IASB standard setting?

    NARCIS (Netherlands)

    Brouwer, A.; Hoogendoorn, M.; Naarding, E.

    2015-01-01

    In this paper we evaluate the International Accounting Standards Board’s (IASB) efforts, in a discussion paper (DP) of 2013, to develop a new conceptual framework (CF) in the light of its stated ambition to establish a robust and consistent basis for future standard setting, thereby guiding standard

  7. On the Convergence of the ccJ-pVXZ and pcJ-n Basis Sets in CCSD Calculations of Nuclear Spin-Spin Coupling Constants

    DEFF Research Database (Denmark)

    Faber, Rasmus; Sauer, Stephan P. A.

    2018-01-01

    The basis set convergence of nuclear spin-spin coupling constants (SSCC) calculated at the coupled cluster singles and doubles (CCSD) level has been investigated for ten difficult molecules. Eight of the molecules contain fluorine atoms and nine contain double or triple bonds. Results obtained us...

  8. Modified Motor Vehicles Travel Speed Models on the Basis of Curb Parking Setting under Mixed Traffic Flow

    OpenAIRE

    Mei, Zhenyu; Chen, Jun

    2012-01-01

    The ongoing controversy about in what condition should we set the curb parking has few definitive answers because comprehensive research in this area has been lacking. Our goal is to present a set of heuristic urban street speed functions under mixed traffic flow by taking into account impacts of curb parking. Two impacts have been defined to classify and quantify the phenomena of motor vehicles' speed dynamics in terms of curb parking. The first impact is called Space impact, which is caused...

  9. Intrinsic Local Constituents of Molecular Electronic Wave Functions.I. Exact Representation of the Density Matrix in Terms of Chemically Deformed and Oriented Atomic Minimal Basis Set Orbitals

    Energy Technology Data Exchange (ETDEWEB)

    Joseph Ivanic; Gregory J. Atchity; Klaus Ruedenberg

    2007-02-12

    A coherent, intrinsic, basis-set-independent analysis is developed for the invariants of the first-order density matrix of an accurate molecular electronic wavefunction. From the hierarchical ordering of the natural orbitals, the zeroth-order orbital space is deduced, which generates the zeroth-order wavefunction, typically an MCSCF function in the full valence space. It is shown that intrinsically embedded in such wavefunctions are elements that are local in bond regions and elements that are local in atomic regions. Basis-set-independent methods are given that extract and exhibit the intrinsic bond orbitals and the intrinsic minimal-basis quasi-atomic orbitals in terms of which the wavefunction can be exactly constructed. The quasi-atomic orbitals are furthermore oriented by a basis-set independent method (viz. maximization of the sum of the fourth powers of all off-diagonal density matrix elements) so as to exhibit clearly the chemical interactions. The unbiased nature of the method allows for the adaptation of the localized and directed orbitals to changing geometries.

  10. The Interaction Between Dynamics and Chemistry of Ozone in the Set-up Phase of the Northern Hemisphere Polar Vortex

    Science.gov (United States)

    Kawa, S. R.; Bevilacqua, R.; Margitan, J. J.; Douglass, A. R.; Schoeberl, M. R.; Hoppel, K.; Sen, B.; Bhartia, P. K. (Technical Monitor)

    2001-01-01

    The morphology and evolution of the stratospheric ozone (O3) distribution at high latitudes in the Northern Hemisphere (NH) are examined for the late summer and fall seasons of 1999. This time period sets the O3 initial condition for the SOLVE/THESEO field mission performed during winter 1999-2000. In situ and satellite data are used along with a three-dimensional model of chemistry and transport (CTM) to determine the key processes that control the distribution of O3 in the lower-to-middle stratosphere. O3 in the vortex at the beginning of the winter season is found to be nearly constant from 500 to above 800 K with a value at 3 ppmv +/- approx. 10%. Values outside the vortex are up to a factor of 2 higher and increase significantly with potential temperature. The seasonal time series of data from POAM shows that relatively low O3 mixing ratios, which characterize the vortex in late fall, are already present at high latitudes at the end of summer before the vortex circulation sets up. Analysis of the CTM output shows that the minimum O3 and increase in variance in late summer are the result of: 1) stirring of polar concentric O3 gradients by nascent wave-driven transport, and 2) an acceleration of net photochemical loss with decreasing solar illumination. The segregation of low O3 mixing ratios into the vortex as the circulation strengthens through the fall suggests a possible feedback role between O3 chemistry and the vortex formation dynamics. Trajectory calculations from O3 sample points early in the fall, however, show only a weak correlation between initial O3 mixing ratio and potential vorticity later in the season consistent with order-of-magnitude calculations for the relative importance of O3 in the fall radiative balance at high latitudes. The possible connection between O3 chemistry and the dynamics of vortex formation does suggest that these feedbacks and sensitivities need to be better understood in order to make confident predictions of the recovery

  11. Comment on "Rethinking first-principles electron transport theories with projection operators: The problems caused by partitioning the basis set" [J. Chem. Phys. 139, 114104 (2013)

    DEFF Research Database (Denmark)

    Brandbyge, Mads

    2014-01-01

    In a recent paper Reuter and Harrison [J. Chem. Phys.139, 114104 (2013)] question the widely used mean-field electron transport theories, which employ nonorthogonal localized basis sets. They claim these can violate an “implicit decoupling assumption,” leading to wrong results for the current......, different from what would be obtained by using an orthogonal basis, and dividing surfaces defined in real-space. We argue that this assumption is not required to be fulfilled to get exact results. We show how the current/transmission calculated by the standard Greens function method is independent...

  12. Polarization holography

    DEFF Research Database (Denmark)

    Nikolova, L.; Ramanujam, P.S.

    Current research into holography is concerned with applications in optically storing, retrieving, and processing information. Polarization holography has many unique properties compared to conventional holography. It gives results in high efficiency, achromaticity, and special polarization...... properties. This books reviews the research carried out in this field over the last 15 years. The authors provide basic concepts in polarization and the propagation of light through anisotropic materials, before presenting a sound theoretical basis for polarization holography. The fabrication...... and characterization of azobenzene based materials, which remain the most efficient for the purpose, is described in detail. This is followed by a description of other materials that are used in polarization holography. An in-depth description of various applications, including display holography and optical storage...

  13. Different sets of ER-resident J-proteins regulate distinct polar nuclear-membrane fusion events in Arabidopsis thaliana.

    Science.gov (United States)

    Maruyama, Daisuke; Yamamoto, Masaya; Endo, Toshiya; Nishikawa, Shuh-ichi

    2014-11-01

    Angiosperm female gametophytes contain a central cell with two polar nuclei. In many species, including Arabidopsis thaliana, the polar nuclei fuse during female gametogenesis. We previously showed that BiP, an Hsp70 in the endoplasmic reticulum (ER), was essential for membrane fusion during female gametogenesis. Hsp70 function requires partner proteins for full activity. J-domain containing proteins (J-proteins) are the major Hsp70 functional partners. A. thaliana ER contains three soluble J-proteins, AtERdj3A, AtERdj3B, and AtP58(IPK). Here, we analyzed mutants of these proteins and determined that double-mutant ovules lacking AtP58(IPK) and AtERdj3A or AtERdj3B were defective in polar nuclear fusion. Electron microscopy analysis identified that polar nuclei were in close contact, but no membrane fusion occurred in mutant ovules lacking AtP58(IPK) and AtERdj3A. The polar nuclear outer membrane appeared to be connected via the ER remaining at the inner unfused membrane in mutant ovules lacking AtP58(IPK) and AtERdj3B. These results indicate that ER-resident J-proteins, AtP58(IPK)/AtERdj3A and AtP58(IPK)/AtERdj3B, function at distinct steps of polar nuclear-membrane fusion. Similar to the bip1 bip2 double mutant female gametophytes, the aterdj3a atp58(ipk) double mutant female gametophytes defective in fusion of the outer polar nuclear membrane displayed aberrant endosperm proliferation after fertilization with wild-type pollen. However, endosperm proliferated normally after fertilization of the aterdj3b atp58(ipk) double mutant female gametophytes defective in fusion of the inner membrane. Our results indicate that the polar nuclear fusion defect itself does not cause an endosperm proliferation defect. © The Author 2014. Published by Oxford University Press on behalf of Japanese Society of Plant Physiologists. All rights reserved. For permissions, please email: journals.permissions@oup.com.

  14. Modified Motor Vehicles Travel Speed Models on the Basis of Curb Parking Setting under Mixed Traffic Flow

    Directory of Open Access Journals (Sweden)

    Zhenyu Mei

    2012-01-01

    Full Text Available The ongoing controversy about in what condition should we set the curb parking has few definitive answers because comprehensive research in this area has been lacking. Our goal is to present a set of heuristic urban street speed functions under mixed traffic flow by taking into account impacts of curb parking. Two impacts have been defined to classify and quantify the phenomena of motor vehicles' speed dynamics in terms of curb parking. The first impact is called Space impact, which is caused by the curb parking types. The other one is the Time impact, which results from the driver maneuvering in or out of parking space. In this paper, based on the empirical data collected from six typical urban streets in Nanjing, China, two models have been proposed to describe these phenomena for one-way traffic and two-way traffic, respectively. An intensive experiment has been conducted in order to calibrate and validate these proposed models, by taking into account the complexity of the model parameters. We also provide guidelines in terms of how to cluster and calculate those models' parameters. Results from these models demonstrated promising performance of modeling motor vehicles' speed for mixed traffic flow under the influence of curb parking.

  15. Laser-Doppler-Velocimetry on the basis of frequency selective absorption: set-up and test of a Doppler Gloval Velocimeter; Laser-Doppler-Velocimetry auf der Basis frequenzselektiver Absorption: Aufbau und Einsatz eines Doppler Global Velocimeters

    Energy Technology Data Exchange (ETDEWEB)

    Roehle, I.

    1999-11-01

    A Doppler Global Velocimeter was set up in the frame of a PhD thesis. This velocimeter is optimized to carry out high accuracy, three component, time averaged planar velocity measurements. The anemometer was successfully applied to wind tunnel and test rig flows, and the measurement accuracy was investigated. A volumetric data-set of the flow field inside an industrial combustion chamber was measured. This data field contained about 400.000 vectors. DGV measurements in the intake of a jet engine model were carried out applying a fibre bundle boroskope. The flow structure of the wake of a car model in a wind tunnel was investigated. The measurement accuracy of the DGV-System is {+-}0.5 m/s when operated under ideal conditions. This study can serve as a basis to evaluate the use of DGV for aerodynamic development experiments. (orig.) [German] Im Rahmen der Dissertation wurde ein auf hohe Messgenauigkeit optimiertes DGV-Geraet fuer zeitlich gemittelte Drei-Komponenten-Geschwindigkeitsmessungen entwickelt und gebaut, an Laborstroemungen, an Teststaenden und an Windkanaelen erfolgreich eingesetzt und das Potential der Messtechnik, insbesondere im Hinblick auf Messgenauigkeit, untersucht. Im Fall einer industriellen Brennkammer konnte ein Volumen-Datensatz des Stroemungsfeldes erstellt werden, dessen Umfang bei ca. 400.000 Vektoren lag. Es wurden DGV-Messungen mittels eines flexiblen Endoskops auf Basis eines Faserbuendels durchgefuehrt und damit die Stroemung in einem Flugzeugeinlauf vermessen. Es wurden DGV-Messungen im Nachlauf eines PKW-Modells in einem Windkanal durchgefuehrt. Die Messgenauigkeit des erstellten DGV-Systems betraegt unter Idealbedingungen {+-}0,5 m/s. Durch die Arbeit wurde eine Basis zur Beurteilung des Nutzens der DGV-Technik fuer aerodynamische Entwicklungsarbeiten geschaffen. (orig.)

  16. All-electron LCAO calculations of the LiF crystal phonon spectrum: Influence of the basis set, the exchange-correlation functional, and the supercell size.

    Science.gov (United States)

    Evarestov, R A; Losev, M V

    2009-12-01

    For the first time the convergence of the phonon frequencies and dispersion curves in terms of the supercell size is studied in ab initio frozen phonon calculations on LiF crystal. Helmann-Feynman forces over atomic displacements are found in all-electron calculations with the localized atomic functions (LCAO) basis using CRYSTAL06 program. The Parlinski-Li-Kawazoe method and FROPHO program are used to calculate the dynamical matrix and phonon frequencies of the supercells. For fcc lattice, it is demonstrated that use of the full supercell space group (including the supercell inner translations) enables to reduce essentially the number of the displacements under consideration. For Hartree-Fock (HF), PBE and hybrid PBE0, B3LYP, and B3PW exchange-correlation functionals the atomic basis set optimization is performed. The supercells up to 216 atoms (3 x 3 x 3 conventional unit cells) are considered. The phonon frequencies using the supercells of different size and shape are compared. For the commensurate with supercell k-points the best agreement of the theoretical results with the experimental data is found for B3PW exchange-correlation functional calculations with the optimized basis set. The phonon frequencies at the most non-commensurate k-points converged for the supercell consisting of 4 x 4 x 4 primitive cells and ensures the accuracy 1-2% in the thermodynamic properties calculated (the Helmholtz free energy, entropy, and heat capacity at the room temperature). (c) 2009 Wiley Periodicals, Inc.

  17. Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED.

    Directory of Open Access Journals (Sweden)

    Ling Li

    Full Text Available Polycomb repressive complex 2 (PRC2, a histone H3 lysine 27 methyltransferase, plays a key role in gene regulation and is a known epigenetics drug target for cancer therapy. The WD40 domain-containing protein EED is the regulatory subunit of PRC2. It binds to the tri-methylated lysine 27 of the histone H3 (H3K27me3, and through which stimulates the activity of PRC2 allosterically. Recently, we disclosed a novel PRC2 inhibitor EED226 which binds to the K27me3-pocket on EED and showed strong antitumor activity in xenograft mice model. Here, we further report the identification and validation of four other EED binders along with EED162, the parental compound of EED226. The crystal structures for all these five compounds in complex with EED revealed a common deep pocket induced by the binding of this diverse set of compounds. This pocket was created after significant conformational rearrangement of the aromatic cage residues (Y365, Y148 and F97 in the H3K27me3 binding pocket of EED, the width of which was delineated by the side chains of these rearranged residues. In addition, all five compounds interact with the Arg367 at the bottom of the pocket. Each compound also displays unique features in its interaction with EED, suggesting the dynamics of the H3K27me3 pocket in accommodating the binding of different compounds. Our results provide structural insights for rational design of novel EED binder for the inhibition of PRC2 complex activity.

  18. Excited state nuclear forces from the Tamm-Dancoff approximation to time-dependent density functional theory within the plane wave basis set framework

    Science.gov (United States)

    Hutter, Jürg

    2003-03-01

    An efficient formulation of time-dependent linear response density functional theory for the use within the plane wave basis set framework is presented. The method avoids the transformation of the Kohn-Sham matrix into the canonical basis and references virtual orbitals only through a projection operator. Using a Lagrangian formulation nuclear derivatives of excited state energies within the Tamm-Dancoff approximation are derived. The algorithms were implemented into a pseudo potential/plane wave code and applied to the calculation of adiabatic excitation energies, optimized geometries and vibrational frequencies of three low lying states of formaldehyde. An overall good agreement with other time-dependent density functional calculations, multireference configuration interaction calculations and experimental data was found.

  19. Iterative diagonalization of the non-Hermitian transcorrelated Hamiltonian using a plane-wave basis set: Application to sp-electron systems with deep core states

    Energy Technology Data Exchange (ETDEWEB)

    Ochi, Masayuki, E-mail: ochi@phys.sci.osaka-u.ac.jp; Arita, Ryotaro [RIKEN Center for Emergent Matter Science (CEMS), Wako, Saitama 351-0198 (Japan); JST ERATO Isobe Degenerate pi-Integration Project, Advanced Institute for Materials Research (AIMR), Tohoku University, Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Yamamoto, Yoshiyuki [Department of Physics, The University of Tokyo, Hongo, Bunkyo, Tokyo 113-0033 (Japan); Tsuneyuki, Shinji [Department of Physics, The University of Tokyo, Hongo, Bunkyo, Tokyo 113-0033 (Japan); Institute for Solid State Physics, The University of Tokyo, Kashiwa, Chiba 277-8581 (Japan)

    2016-03-14

    We develop an iterative diagonalization scheme in solving a one-body self-consistent-field equation in the transcorrelated (TC) method using a plane-wave basis set. Non-Hermiticity in the TC method is well handled with a block-Davidson algorithm. We verify that the required computational cost is efficiently reduced by our algorithm. In addition, we apply our plane-wave-basis TC calculation to some simple sp-electron systems with deep core states to elucidate an impact of the pseudopotential approximation to the calculated band structures. We find that a position of the deep valence bands is improved by an explicit inclusion of core states, but an overall band structure is consistent with a regular setup that includes core states into the pseudopotentials. This study offers an important understanding for the future application of the TC method to strongly correlated solids.

  20. Evolution in time of an N-atom system. I. A physical basis set for the projection of the master equation

    International Nuclear Information System (INIS)

    Freedhoff, Helen

    2004-01-01

    We study an aggregate of N identical two-level atoms (TLA's) coupled by the retarded interatomic interaction, using the Lehmberg-Agarwal master equation. First, we calculate the entangled eigenstates of the system; then, we use these eigenstates as a basis set for the projection of the master equation. We demonstrate that in this basis the equations of motion for the level populations, as well as the expressions for the emission and absorption spectra, assume a simple mathematical structure and allow for a transparent physical interpretation. To illustrate the use of the general theory in emission processes, we study an isosceles triangle of atoms, and present in the long wavelength limit the (cascade) emission spectrum for a hexagon of atoms fully excited at t=0. To illustrate its use for absorption processes, we tabulate (in the same limit) the biexciton absorption frequencies, linewidths, and relative intensities for polygons consisting of N=2,...,9 TLA's

  1. The Sub-Polar Gyre Index - a community data set for application in fisheries and environment research

    Science.gov (United States)

    Berx, Barbara; Payne, Mark R.

    2017-04-01

    Scientific interest in the sub-polar gyre of the North Atlantic Ocean has increased in recent years. The sub-polar gyre has contracted and weakened, and changes in circulation pathways have been linked to changes in marine ecosystem productivity. To aid fisheries and environmental scientists, we present here a time series of the Sub-Polar Gyre Index (SPG-I) based on monthly mean maps of sea surface height. The established definition of the SPG-I is applied, and the first EOF (empirical orthogonal function) and PC (principal component) are presented. Sensitivity to the spatial domain and time series length are explored but found not to be important factors in terms of the SPG-I's interpretation. Our time series compares well with indices presented previously. The SPG-I time series is freely available online (http://dx.doi.org/10.7489/1806-1), and we invite the community to access, apply, and publish studies using this index time series.

  2. On the Raman and infrared vibrational spectra of the ɛ and ζ phases of oxygen. Systematic DFT studies with localized basis sets

    Science.gov (United States)

    Ochoa-Calle, A. J.; Zicovich-Wilson, C. M.; Ramírez-Solís, A.

    2015-10-01

    We address the pressure evolution of the Raman and infrared vibrational modes of the ɛ and ζ phases of oxygen. We use DFT with various GGA and hybrid functionals with localized atomic basis sets. The frequency evolution of the OV, MIR, FIR, L1 and L2 modes is in good agreement with experimental data. The better performance of all methods at pressures >30 GPa is related to the decreasing multireference character of the (O2)4 unit cell wavefunction. Hybrid functionals predict the ɛ-ζ phase transition by the appearance of red-shifted L1 and L2 Raman modes in the transition pressure region.

  3. Oceanography of the subantarctic and Polar Frontal Zones south of Australia during summer: Setting for the SAZ-Sense study

    Science.gov (United States)

    Bowie, Andrew R.; Brian Griffiths, F.; Dehairs, Frank; Trull, Thomas W.

    2011-11-01

    This paper provides a description of the physical and chemical properties (temperature, salinity, macro-nutrient, and oxygen concentrations) and bulk biomass indicators (chlorophyll and beam attenuation) prevailing in the subantarctic zone and polar front zones south of Tasmania (Australia) during the 'Sensitivity of the subantarctic zone to environmental change' (SAZ-Sense) expedition carried out in the austral summer of 2007. Phytoplankton biomass showed a characteristic north-south gradient of decreasing chlorophyll from the subantarctic zone to Polar Frontal Zone, as well as a zonal gradient in the northern subantarctic zone, with an increase in chlorophyll from southwest to southeast of Tasmania. The representativeness of the observations was assessed by comparison to previous studies including satellite observation of chlorophyll biomass over a 10-year period. We consider the possible role of spatial differences in: (i) ocean water masses and frontal systems, (ii) upper mixed layer stratification at three process stations, and (iii) nutrient availability, in controlling the observed variations in phytoplankton biomass in the region. Zonal gradients of the basic oceanographic physical and chemical conditions in the subantarctic zone were relatively small and therefore unlikely to control the three-fold west-to-east differences observed in the accumulation of phytoplankton biomass. The zonal variation in subantarctic zone chlorophyll biomass appears to be driven at least partly by greater micro-nutrient (iron) supply to the waters east of Tasmania, as reported also by others ( Bowie et al., 2009; Mongin et al., 2011a). Despite this condition, the region of higher phytoplankton biomass to the southeast of Tasmania was only marginally more productive than the region of lower biomass west of Tasmania and south of the polar front, and exported less particulate carbon than the lower biomass waters ( Jacquet et al., 2011).

  4. How to measure a complete set of polarization-dependent differential cross sections in a scattering experiment with aligned reagents?

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Fengyan, E-mail: fengyanwang@fudan.edu.cn, E-mail: kliu@po.iams.sinica.edu.tw [Institute of Atomic and Molecular Sciences, Academia Sinica, P. O. Box 23-166, Taipei 10617, Taiwan (China); Department of Chemistry, Fudan University, Shanghai 200433 (China); Lin, Jui-San; Liu, Kopin, E-mail: fengyanwang@fudan.edu.cn, E-mail: kliu@po.iams.sinica.edu.tw [Institute of Atomic and Molecular Sciences, Academia Sinica, P. O. Box 23-166, Taipei 10617, Taiwan (China)

    2014-02-28

    Polarization-dependent differential cross section (PDDCS) is one of the three-vector correlations (k, k{sup ′}, j) in molecular collisions, which provides the most detailed insights into the steric requirements of chemical reactions, i.e., how the reactivity depends on the polarization of reagents. Only quite recently has such quantity been fully realized experimentally in the study of the reaction of the aligned CHD{sub 3}(v{sub 1} = 1, |jK〉 = |10〉) molecules with Cl({sup 2}P{sub 3/2}) atoms. Theoretically, PDDCS is a relatively new concept; experimental realization of the theoretical construct requires some careful considerations that are not readily available in the literature. Here, we present the “know-how” behind the full PDDCS measurements to fill the gaps and to provide a clear roadmap for future applications. To make the connection apparent between the methodology presented here and the stereodynamics revealed in previous reports, the same Cl + aligned CHD{sub 3} reaction is used for illustration.

  5. How to measure a complete set of polarization-dependent differential cross sections in a scattering experiment with aligned reagents?

    International Nuclear Information System (INIS)

    Wang, Fengyan; Lin, Jui-San; Liu, Kopin

    2014-01-01

    Polarization-dependent differential cross section (PDDCS) is one of the three-vector correlations (k, k ′ , j) in molecular collisions, which provides the most detailed insights into the steric requirements of chemical reactions, i.e., how the reactivity depends on the polarization of reagents. Only quite recently has such quantity been fully realized experimentally in the study of the reaction of the aligned CHD 3 (v 1 = 1, |jK〉 = |10〉) molecules with Cl( 2 P 3/2 ) atoms. Theoretically, PDDCS is a relatively new concept; experimental realization of the theoretical construct requires some careful considerations that are not readily available in the literature. Here, we present the “know-how” behind the full PDDCS measurements to fill the gaps and to provide a clear roadmap for future applications. To make the connection apparent between the methodology presented here and the stereodynamics revealed in previous reports, the same Cl + aligned CHD 3 reaction is used for illustration

  6. Electronic structure of crystalline uranium nitrides UN, U2N3 and UN2: LCAO calculations with the basis set optimization

    International Nuclear Information System (INIS)

    Evarestov, R A; Panin, A I; Bandura, A V; Losev, M V

    2008-01-01

    The results of LCAO DFT calculations of lattice parameters, cohesive energy and bulk modulus of the crystalline uranium nitrides UN, U 2 N 3 and UN 2 are presented and discussed. The LCAO computer codes Gaussian03 and Crystal06 are applied. The calculations are made with the uranium atom relativistic effective small core potential by Stuttgart-Cologne group (60 electrons in the core). The calculations include the U atom basis set optimization. Powell, Hooke-Jeeves, conjugated gradient and Box methods are implemented in the author's optimization package, being external to the codes for molecular and periodic calculations. The basis set optimization in LCAO calculations improves the agreement of the lattice parameter and bulk modulus of UN crystal with the experimental data, the change of the cohesive energy due to the optimization is small. The mixed metallic-covalent chemical bonding is found both in LCAO calculations of UN and U 2 N 3 crystals; UN 2 crystal has the semiconducting nature

  7. Improving the accuracy of ground-state correlation energies within a plane-wave basis set: The electron-hole exchange kernel.

    Science.gov (United States)

    Dixit, Anant; Ángyán, János G; Rocca, Dario

    2016-09-14

    A new formalism was recently proposed to improve random phase approximation (RPA) correlation energies by including approximate exchange effects [B. Mussard et al., J. Chem. Theory Comput. 12, 2191 (2016)]. Within this framework, by keeping only the electron-hole contributions to the exchange kernel, two approximations can be obtained: An adiabatic connection analog of the second order screened exchange (AC-SOSEX) and an approximate electron-hole time-dependent Hartree-Fock (eh-TDHF). Here we show how this formalism is suitable for an efficient implementation within the plane-wave basis set. The response functions involved in the AC-SOSEX and eh-TDHF equations can indeed be compactly represented by an auxiliary basis set obtained from the diagonalization of an approximate dielectric matrix. Additionally, the explicit calculation of unoccupied states can be avoided by using density functional perturbation theory techniques and the matrix elements of dynamical response functions can be efficiently computed by applying the Lanczos algorithm. As shown by several applications to reaction energies and weakly bound dimers, the inclusion of the electron-hole kernel significantly improves the accuracy of ground-state correlation energies with respect to RPA and semi-local functionals.

  8. Evaluation of one-dimensional and two-dimensional volatility basis sets in simulating the aging of secondary organic aerosol with smog-chamber experiments.

    Science.gov (United States)

    Zhao, Bin; Wang, Shuxiao; Donahue, Neil M; Chuang, Wayne; Hildebrandt Ruiz, Lea; Ng, Nga L; Wang, Yangjun; Hao, Jiming

    2015-02-17

    We evaluate the one-dimensional volatility basis set (1D-VBS) and two-dimensional volatility basis set (2D-VBS) in simulating the aging of SOA derived from toluene and α-pinene against smog-chamber experiments. If we simulate the first-generation products with empirical chamber fits and the subsequent aging chemistry with a 1D-VBS or a 2D-VBS, the models mostly overestimate the SOA concentrations in the toluene oxidation experiments. This is because the empirical chamber fits include both first-generation oxidation and aging; simulating aging in addition to this results in double counting of the initial aging effects. If the first-generation oxidation is treated explicitly, the base-case 2D-VBS underestimates the SOA concentrations and O:C increase of the toluene oxidation experiments; it generally underestimates the SOA concentrations and overestimates the O:C increase of the α-pinene experiments. With the first-generation oxidation treated explicitly, we could modify the 2D-VBS configuration individually for toluene and α-pinene to achieve good model-measurement agreement. However, we are unable to simulate the oxidation of both toluene and α-pinene with the same 2D-VBS configuration. We suggest that future models should implement parallel layers for anthropogenic (aromatic) and biogenic precursors, and that more modeling studies and laboratory research be done to optimize the "best-guess" parameters for each layer.

  9. DCMB that combines divide-and-conquer and mixed-basis set methods for accurate geometry optimizations, total energies, and vibrational frequencies of large molecules.

    Science.gov (United States)

    Wu, Anan; Xu, Xin

    2012-06-15

    We present a method, named DCMB, for the calculations of large molecules. It is a combination of a parallel divide-and-conquer (DC) method and a mixed-basis (MB) set scheme. In this approach, atomic forces, total energy and vibrational frequencies are obtained from a series of MB calculations, which are derived from the target system utilizing the DC concept. Unlike the fragmentation based methods, all DCMB calculations are performed over the whole target system and no artificial caps are introduced so that it is particularly useful for charged and/or delocalized systems. By comparing the DCMB results with those from the conventional method, we demonstrate that DCMB is capable of providing accurate prediction of molecular geometries, total energies, and vibrational frequencies of molecules of general interest. We also demonstrate that the high efficiency of the parallel DCMB code holds the promise for a routine geometry optimization of large complex systems. Copyright © 2012 Wiley Periodicals, Inc.

  10. Electronic structure of thin films by the self-consistent numerical-basis-set linear combination of atomic orbitals method: Ni(001)

    International Nuclear Information System (INIS)

    Wang, C.S.; Freeman, A.J.

    1979-01-01

    We present the self-consistent numerical-basis-set linear combination of atomic orbitals (LCAO) discrete variational method for treating the electronic structure of thin films. As in the case of bulk solids, this method provides for thin films accurate solutions of the one-particle local density equations with a non-muffin-tin potential. Hamiltonian and overlap matrix elements are evaluated accurately by means of a three-dimensional numerical Diophantine integration scheme. Application of this method is made to the self-consistent solution of one-, three-, and five-layer Ni(001) unsupported films. The LCAO Bloch basis set consists of valence orbitals (3d, 4s, and 4p states for transition metals) orthogonalized to the frozen-core wave functions. The self-consistent potential is obtained iteratively within the superposition of overlapping spherical atomic charge density model with the atomic configurations treated as adjustable parameters. Thus the crystal Coulomb potential is constructed as a superposition of overlapping spherically symmetric atomic potentials and, correspondingly, the local density Kohn-Sham (α = 2/3) potential is determined from a superposition of atomic charge densities. At each iteration in the self-consistency procedure, the crystal charge density is evaluated using a sampling of 15 independent k points in (1/8)th of the irreducible two-dimensional Brillouin zone. The total density of states (DOS) and projected local DOS (by layer plane) are calculated using an analytic linear energy triangle method (presented as an Appendix) generalized from the tetrahedron scheme for bulk systems. Distinct differences are obtained between the surface and central plane local DOS. The central plane DOS is found to converge rapidly to the DOS of bulk paramagnetic Ni obtained by Wang and Callaway. Only a very small surplus charge (0.03 electron/atom) is found on the surface planes, in agreement with jellium model calculations

  11. Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules I. Reference Data at the CCSD(T) Complete Basis Set Limit

    KAUST Repository

    Richard, Ryan M.

    2016-01-05

    © 2016 American Chemical Society. In designing organic materials for electronics applications, particularly for organic photovoltaics (OPV), the ionization potential (IP) of the donor and the electron affinity (EA) of the acceptor play key roles. This makes OPV design an appealing application for computational chemistry since IPs and EAs are readily calculable from most electronic structure methods. Unfortunately reliable, high-accuracy wave function methods, such as coupled cluster theory with single, double, and perturbative triples [CCSD(T)] in the complete basis set (CBS) limit are too expensive for routine applications to this problem for any but the smallest of systems. One solution is to calibrate approximate, less computationally expensive methods against a database of high-accuracy IP/EA values; however, to our knowledge, no such database exists for systems related to OPV design. The present work is the first of a multipart study whose overarching goal is to determine which computational methods can be used to reliably compute IPs and EAs of electron acceptors. This part introduces a database of 24 known organic electron acceptors and provides high-accuracy vertical IP and EA values expected to be within ±0.03 eV of the true non-relativistic, vertical CCSD(T)/CBS limit. Convergence of IP and EA values toward the CBS limit is studied systematically for the Hartree-Fock, MP2 correlation, and beyond-MP2 coupled cluster contributions to the focal point estimates.

  12. Recommending Hartree-Fock theory with London-dispersion and basis-set-superposition corrections for the optimization or quantum refinement of protein structures.

    Science.gov (United States)

    Goerigk, Lars; Collyer, Charles A; Reimers, Jeffrey R

    2014-12-18

    We demonstrate the importance of properly accounting for London dispersion and basis-set-superposition error (BSSE) in quantum-chemical optimizations of protein structures, factors that are often still neglected in contemporary applications. We optimize a portion of an ensemble of conformationally flexible lysozyme structures obtained from highly accurate X-ray crystallography data that serve as a reliable benchmark. We not only analyze root-mean-square deviations from the experimental Cartesian coordinates, but also, for the first time, demonstrate how London dispersion and BSSE influence crystallographic R factors. Our conclusions parallel recent recommendations for the optimization of small gas-phase peptide structures made by some of the present authors: Hartree-Fock theory extended with Grimme's recent dispersion and BSSE corrections (HF-D3-gCP) is superior to popular density functional theory (DFT) approaches. Not only are statistical errors on average lower with HF-D3-gCP, but also the convergence behavior is much better. In particular, we show that the BP86/6-31G* approach should not be relied upon as a black-box method, despite its widespread use, as its success is based on an unpredictable cancellation of errors. Using HF-D3-gCP is technically straightforward, and we therefore encourage users of quantum-chemical methods to adopt this approach in future applications.

  13. Roothaan's approach to solve the Hartree-Fock equations for atoms confined by soft walls: Basis set with correct asymptotic behavior.

    Science.gov (United States)

    Rodriguez-Bautista, Mariano; Díaz-García, Cecilia; Navarrete-López, Alejandra M; Vargas, Rubicelia; Garza, Jorge

    2015-07-21

    In this report, we use a new basis set for Hartree-Fock calculations related to many-electron atoms confined by soft walls. One- and two-electron integrals were programmed in a code based in parallel programming techniques. The results obtained with this proposal for hydrogen and helium atoms were contrasted with other proposals to study just one and two electron confined atoms, where we have reproduced or improved the results previously reported. Usually, an atom enclosed by hard walls has been used as a model to study confinement effects on orbital energies, the main conclusion reached by this model is that orbital energies always go up when the confinement radius is reduced. However, such an observation is not necessarily valid for atoms confined by penetrable walls. The main reason behind this result is that for atoms with large polarizability, like beryllium or potassium, external orbitals are delocalized when the confinement is imposed and consequently, the internal orbitals behave as if they were in an ionized atom. Naturally, the shell structure of these atoms is modified drastically when they are confined. The delocalization was an argument proposed for atoms confined by hard walls, but it was never verified. In this work, the confinement imposed by soft walls allows to analyze the delocalization concept in many-electron atoms.

  14. Evaluation of the volatility basis-set approach for the simulation of organic aerosol formation in the Mexico City metropolitan area

    Directory of Open Access Journals (Sweden)

    A. P. Tsimpidi

    2010-01-01

    Full Text Available New primary and secondary organic aerosol modules have been added to PMCAMx, a three dimensional chemical transport model (CTM, for use with the SAPRC99 chemistry mechanism based on recent smog chamber studies. The new modelling framework is based on the volatility basis-set approach: both primary and secondary organic components are assumed to be semivolatile and photochemically reactive and are distributed in logarithmically spaced volatility bins. This new framework with the use of the new volatility basis parameters for low-NOx and high-NOx conditions tends to predict 4–6 times higher anthropogenic SOA concentrations than those predicted with the older generation of models. The resulting PMCAMx-2008 was applied in Mexico City Metropolitan Area (MCMA for approximately a week during April 2003 during a period of very low regional biomass burning impact. The emission inventory, which uses as a starting point the MCMA 2004 official inventory, is modified and the primary organic aerosol (POA emissions are distributed by volatility based on dilution experiments. The predicted organic aerosol (OA concentrations peak in the center of Mexico City, reaching values above 40 μg m−3. The model predictions are compared with the results of the Positive Matrix Factorization (PMF analysis of the Aerosol Mass Spectrometry (AMS observations. The model reproduces both Hydrocarbon-like Organic Aerosol (HOA and Oxygenated Organic Aerosol (OOA concentrations and diurnal profiles. The small OA underprediction during the rush-hour periods and overprediction in the afternoon suggest potential improvements to the description of fresh primary organic emissions and the formation of the oxygenated organic aerosols, respectively, although they may also be due to errors in the simulation of dispersion and vertical mixing. However, the AMS OOA data are not specific enough to prove that the model reproduces the organic aerosol

  15. A simple and efficient dispersion correction to the Hartree-Fock theory (2): Incorporation of a geometrical correction for the basis set superposition error.

    Science.gov (United States)

    Yoshida, Tatsusada; Hayashi, Takahisa; Mashima, Akira; Chuman, Hiroshi

    2015-10-01

    One of the most challenging problems in computer-aided drug discovery is the accurate prediction of the binding energy between a ligand and a protein. For accurate estimation of net binding energy ΔEbind in the framework of the Hartree-Fock (HF) theory, it is necessary to estimate two additional energy terms; the dispersion interaction energy (Edisp) and the basis set superposition error (BSSE). We previously reported a simple and efficient dispersion correction, Edisp, to the Hartree-Fock theory (HF-Dtq). In the present study, an approximation procedure for estimating BSSE proposed by Kruse and Grimme, a geometrical counterpoise correction (gCP), was incorporated into HF-Dtq (HF-Dtq-gCP). The relative weights of the Edisp (Dtq) and BSSE (gCP) terms were determined to reproduce ΔEbind calculated with CCSD(T)/CBS or /aug-cc-pVTZ (HF-Dtq-gCP (scaled)). The performance of HF-Dtq-gCP (scaled) was compared with that of B3LYP-D3(BJ)-bCP (dispersion corrected B3LYP with the Boys and Bernadi counterpoise correction (bCP)), by taking ΔEbind (CCSD(T)-bCP) of small non-covalent complexes as 'a golden standard'. As a critical test, HF-Dtq-gCP (scaled)/6-31G(d) and B3LYP-D3(BJ)-bCP/6-31G(d) were applied to the complex model for HIV-1 protease and its potent inhibitor, KNI-10033. The present results demonstrate that HF-Dtq-gCP (scaled) is a useful and powerful remedy for accurately and promptly predicting ΔEbind between a ligand and a protein, albeit it is a simple correction procedure. Copyright © 2015 Elsevier Ltd. All rights reserved.

  16. Polarization Optics

    OpenAIRE

    Fressengeas, Nicolas

    2010-01-01

    The physics of polarization optics *Polarized light propagation *Partially polarized light; DEA; After a brief introduction to polarization optics, this lecture reviews the basic formalisms for dealing with it: Jones Calculus for totally polarized light and Stokes parameters associated to Mueller Calculus for partially polarized light.

  17. Comparison of one-particle basis set extrapolation to explicitly correlated methods for the calculation of accurate quartic force fields, vibrational frequencies, and spectroscopic constants: application to H2O, N2H+, NO2+, and C2H2.

    Science.gov (United States)

    Huang, Xinchuan; Valeev, Edward F; Lee, Timothy J

    2010-12-28

    One-particle basis set extrapolation is compared with one of the new R12 methods for computing highly accurate quartic force fields (QFFs) and spectroscopic data, including molecular structures, rotational constants, and vibrational frequencies for the H(2)O, N(2)H(+), NO(2)(+), and C(2)H(2) molecules. In general, agreement between the spectroscopic data computed from the best R12 and basis set extrapolation methods is very good with the exception of a few parameters for N(2)H(+) where it is concluded that basis set extrapolation is still preferred. The differences for H(2)O and NO(2)(+) are small and it is concluded that the QFFs from both approaches are more or less equivalent in accuracy. For C(2)H(2), however, a known one-particle basis set deficiency for C-C multiple bonds significantly degrades the quality of results obtained from basis set extrapolation and in this case the R12 approach is clearly preferred over one-particle basis set extrapolation. The R12 approach used in the present study was modified in order to obtain high precision electronic energies, which are needed when computing a QFF. We also investigated including core-correlation explicitly in the R12 calculations, but conclude that current approaches are lacking. Hence core-correlation is computed as a correction using conventional methods. Considering the results for all four molecules, it is concluded that R12 methods will soon replace basis set extrapolation approaches for high accuracy electronic structure applications such as computing QFFs and spectroscopic data for comparison to high-resolution laboratory or astronomical observations, provided one uses a robust R12 method as we have done here. The specific R12 method used in the present study, CCSD(T)(R12), incorporated a reformulation of one intermediate matrix in order to attain machine precision in the electronic energies. Final QFFs for N(2)H(+) and NO(2)(+) were computed, including basis set extrapolation, core-correlation, scalar

  18. Measurement of the correlations between the polar angles of leptons from top quark decays in the helicity basis at $\\sqrt{s}=7$ TeV using the ATLAS detector

    CERN Document Server

    Aad, Georges; Abdallah, Jalal; Abdinov, Ovsat; Aben, Rosemarie; Abolins, Maris; AbouZeid, Ossama; Abramowicz, Halina; Abreu, Henso; Abreu, Ricardo; Abulaiti, Yiming; Acharya, Bobby Samir; Adamczyk, Leszek; Adams, David; Adelman, Jahred; Adomeit, Stefanie; Adye, Tim; Affolder, Tony; Agatonovic-Jovin, Tatjana; Agricola, Johannes; Aguilar-Saavedra, Juan Antonio; Ahlen, Steven; Ahmadov, Faig; Aielli, Giulio; Akerstedt, Henrik; Åkesson, Torsten Paul Ake; Akimov, Andrei; Alberghi, Gian Luigi; Albert, Justin; Albrand, Solveig; Alconada Verzini, Maria Josefina; Aleksa, Martin; Aleksandrov, Igor; Alexa, Calin; Alexander, Gideon; Alexopoulos, Theodoros; Alhroob, Muhammad; Alimonti, Gianluca; Alio, Lion; Alison, John; Alkire, Steven Patrick; Allbrooke, Benedict; Allport, Phillip; Aloisio, Alberto; Alonso, Alejandro; Alonso, Francisco; Alpigiani, Cristiano; Altheimer, Andrew David; Alvarez Gonzalez, Barbara; Άlvarez Piqueras, Damián; Alviggi, Mariagrazia; Amadio, Brian Thomas; Amako, Katsuya; Amaral Coutinho, Yara; Amelung, Christoph; Amidei, Dante; Amor Dos Santos, Susana Patricia; Amorim, Antonio; Amoroso, Simone; Amram, Nir; Amundsen, Glenn; Anastopoulos, Christos; Ancu, Lucian Stefan; Andari, Nansi; Andeen, Timothy; Anders, Christoph Falk; Anders, Gabriel; Anders, John Kenneth; Anderson, Kelby; Andreazza, Attilio; Andrei, George Victor; Angelidakis, Stylianos; Angelozzi, Ivan; Anger, Philipp; Angerami, Aaron; Anghinolfi, Francis; Anisenkov, Alexey; Anjos, Nuno; Annovi, Alberto; Antonelli, Mario; Antonov, Alexey; Antos, Jaroslav; Anulli, Fabio; Aoki, Masato; Aperio Bella, Ludovica; Arabidze, Giorgi; Arai, Yasuo; Araque, Juan Pedro; Arce, Ayana; Arduh, Francisco Anuar; Arguin, Jean-Francois; Argyropoulos, Spyridon; Arik, Metin; Armbruster, Aaron James; Arnaez, Olivier; Arnold, Hannah; Arratia, Miguel; Arslan, Ozan; Artamonov, Andrei; Artoni, Giacomo; Artz, Sebastian; Asai, Shoji; Asbah, Nedaa; Ashkenazi, Adi; Åsman, Barbro; Asquith, Lily; Assamagan, Ketevi; Astalos, Robert; Atkinson, Markus; Atlay, Naim Bora; Augsten, Kamil; Aurousseau, Mathieu; Avolio, Giuseppe; Axen, Bradley; Ayoub, Mohamad Kassem; Azuelos, Georges; Baak, Max; Baas, Alessandra; Baca, Matthew John; Bacci, Cesare; Bachacou, Henri; Bachas, Konstantinos; Backes, Moritz; Backhaus, Malte; Bagiacchi, Paolo; Bagnaia, Paolo; Bai, Yu; Bain, Travis; Baines, John; Baker, Oliver Keith; Baldin, Evgenii; Balek, Petr; Balestri, Thomas; Balli, Fabrice; Balunas, William Keaton; Banas, Elzbieta; Banerjee, Swagato; Bannoura, Arwa A E; Barak, Liron; Barberio, Elisabetta Luigia; Barberis, Dario; Barbero, Marlon; Barillari, Teresa; Barisonzi, Marcello; Barklow, Timothy; Barlow, Nick; Barnes, Sarah Louise; Barnett, Bruce; Barnett, Michael; Barnovska, Zuzana; Baroncelli, Antonio; Barone, Gaetano; Barr, Alan; Barreiro, Fernando; Barreiro Guimarães da Costa, João; Bartoldus, Rainer; Barton, Adam Edward; Bartos, Pavol; Basalaev, Artem; Bassalat, Ahmed; Basye, Austin; Bates, Richard; Batista, Santiago Juan; Batley, Richard; Battaglia, Marco; Bauce, Matteo; Bauer, Florian; Bawa, Harinder Singh; Beacham, James Baker; Beattie, Michael David; Beau, Tristan; Beauchemin, Pierre-Hugues; Beccherle, Roberto; Bechtle, Philip; Beck, Hans Peter; Becker, Kathrin; Becker, Maurice; Beckingham, Matthew; Becot, Cyril; Beddall, Andrew; Beddall, Ayda; Bednyakov, Vadim; Bee, Christopher; Beemster, Lars; Beermann, Thomas; Begel, Michael; Behr, Janna Katharina; Belanger-Champagne, Camille; Bell, William; Bella, Gideon; Bellagamba, Lorenzo; Bellerive, Alain; Bellomo, Massimiliano; Belotskiy, Konstantin; Beltramello, Olga; Benary, Odette; Benchekroun, Driss; Bender, Michael; Bendtz, Katarina; Benekos, Nektarios; Benhammou, Yan; Benhar Noccioli, Eleonora; Benitez Garcia, Jorge-Armando; Benjamin, Douglas; Bensinger, James; Bentvelsen, Stan; Beresford, Lydia; Beretta, Matteo; Berge, David; Bergeaas Kuutmann, Elin; Berger, Nicolas; Berghaus, Frank; Beringer, Jürg; Bernard, Clare; Bernard, Nathan Rogers; Bernius, Catrin; Bernlochner, Florian Urs; Berry, Tracey; Berta, Peter; Bertella, Claudia; Bertoli, Gabriele; Bertolucci, Federico; Bertsche, Carolyn; Bertsche, David; Besana, Maria Ilaria; Besjes, Geert-Jan; Bessidskaia Bylund, Olga; Bessner, Martin Florian; Besson, Nathalie; Betancourt, Christopher; Bethke, Siegfried; Bevan, Adrian John; Bhimji, Wahid; Bianchi, Riccardo-Maria; Bianchini, Louis; Bianco, Michele; Biebel, Otmar; Biedermann, Dustin; Biesuz, Nicolo Vladi; Biglietti, Michela; Bilbao De Mendizabal, Javier; Bilokon, Halina; Bindi, Marcello; Binet, Sebastien; Bingul, Ahmet; Bini, Cesare; Biondi, Silvia; Bjergaard, David Martin; Black, Curtis; Black, James; Black, Kevin; Blackburn, Daniel; Blair, Robert; Blanchard, Jean-Baptiste; Blanco, Jacobo Ezequiel; Blazek, Tomas; Bloch, Ingo; Blocker, Craig; Blum, Walter; Blumenschein, Ulrike; Blunier, Sylvain; Bobbink, Gerjan; Bobrovnikov, Victor; Bocchetta, Simona Serena; Bocci, Andrea; Bock, Christopher; Boehler, Michael; Bogaerts, Joannes Andreas; Bogavac, Danijela; Bogdanchikov, Alexander; Bohm, Christian; Boisvert, Veronique; Bold, Tomasz; Boldea, Venera; Boldyrev, Alexey; Bomben, Marco; Bona, Marcella; Boonekamp, Maarten; Borisov, Anatoly; Borissov, Guennadi; Borroni, Sara; Bortfeldt, Jonathan; Bortolotto, Valerio; Bos, Kors; Boscherini, Davide; Bosman, Martine; Boudreau, Joseph; Bouffard, Julian; Bouhova-Thacker, Evelina Vassileva; Boumediene, Djamel Eddine; Bourdarios, Claire; Bousson, Nicolas; Boutle, Sarah Kate; Boveia, Antonio; Boyd, James; Boyko, Igor; Bozic, Ivan; Bracinik, Juraj; Brandt, Andrew; Brandt, Gerhard; Brandt, Oleg; Bratzler, Uwe; Brau, Benjamin; Brau, James; Braun, Helmut; Breaden Madden, William Dmitri; Brendlinger, Kurt; Brennan, Amelia Jean; Brenner, Lydia; Brenner, Richard; Bressler, Shikma; Bristow, Timothy Michael; Britton, Dave; Britzger, Daniel; Brochu, Frederic; Brock, Ian; Brock, Raymond; Bronner, Johanna; Brooijmans, Gustaaf; Brooks, Timothy; Brooks, William; Brosamer, Jacquelyn; Brost, Elizabeth; Bruckman de Renstrom, Pawel; Bruncko, Dusan; Bruneliere, Renaud; Bruni, Alessia; Bruni, Graziano; Bruschi, Marco; Bruscino, Nello; Bryngemark, Lene; Buanes, Trygve; Buat, Quentin; Buchholz, Peter; Buckley, Andrew; Budagov, Ioulian; Buehrer, Felix; Bugge, Lars; Bugge, Magnar Kopangen; Bulekov, Oleg; Bullock, Daniel; Burckhart, Helfried; Burdin, Sergey; Burgard, Carsten Daniel; Burghgrave, Blake; Burke, Stephen; Burmeister, Ingo; Busato, Emmanuel; Büscher, Daniel; Büscher, Volker; Bussey, Peter; Butler, John; Butt, Aatif Imtiaz; Buttar, Craig; Butterworth, Jonathan; Butti, Pierfrancesco; Buttinger, William; Buzatu, Adrian; Buzykaev, Aleksey; Cabrera Urbán, Susana; Caforio, Davide; Cairo, Valentina; Cakir, Orhan; Calace, Noemi; Calafiura, Paolo; Calandri, Alessandro; Calderini, Giovanni; Calfayan, Philippe; Caloba, Luiz; Calvet, David; Calvet, Samuel; Camacho Toro, Reina; Camarda, Stefano; Camarri, Paolo; Cameron, David; Caminal Armadans, Roger; Campana, Simone; Campanelli, Mario; Campoverde, Angel; Canale, Vincenzo; Canepa, Anadi; Cano Bret, Marc; Cantero, Josu; Cantrill, Robert; Cao, Tingting; Capeans Garrido, Maria Del Mar; Caprini, Irinel; Caprini, Mihai; Capua, Marcella; Caputo, Regina; Carbone, Ryne Michael; Cardarelli, Roberto; Cardillo, Fabio; Carli, Tancredi; Carlino, Gianpaolo; Carminati, Leonardo; Caron, Sascha; Carquin, Edson; Carrillo-Montoya, German D; Carter, Janet; Carvalho, João; Casadei, Diego; Casado, Maria Pilar; Casolino, Mirkoantonio; Casper, David William; Castaneda-Miranda, Elizabeth; Castelli, Angelantonio; Castillo Gimenez, Victoria; Castro, Nuno Filipe; Catastini, Pierluigi; Catinaccio, Andrea; Catmore, James; Cattai, Ariella; Caudron, Julien; Cavaliere, Viviana; Cavalli, Donatella; Cavalli-Sforza, Matteo; Cavasinni, Vincenzo; Ceradini, Filippo; Cerda Alberich, Leonor; Cerio, Benjamin; Cerny, Karel; Santiago Cerqueira, Augusto; Cerri, Alessandro; Cerrito, Lucio; Cerutti, Fabio; Cerv, Matevz; Cervelli, Alberto; Cetin, Serkant Ali; Chafaq, Aziz; Chakraborty, Dhiman; Chalupkova, Ina; Chan, Yat Long; Chang, Philip; Chapman, John Derek; Charlton, Dave; Chau, Chav Chhiv; Chavez Barajas, Carlos Alberto; Che, Siinn; Cheatham, Susan; Chegwidden, Andrew; Chekanov, Sergei; Chekulaev, Sergey; Chelkov, Gueorgui; Chelstowska, Magda Anna; Chen, Chunhui; Chen, Hucheng; Chen, Karen; Chen, Liming; Chen, Shenjian; Chen, Shion; Chen, Xin; Chen, Ye; Cheng, Hok Chuen; Cheng, Yangyang; Cheplakov, Alexander; Cheremushkina, Evgenia; Cherkaoui El Moursli, Rajaa; Chernyatin, Valeriy; Cheu, Elliott; Chevalier, Laurent; Chiarella, Vitaliano; Chiarelli, Giorgio; Chiodini, Gabriele; Chisholm, Andrew; Chislett, Rebecca Thalatta; Chitan, Adrian; Chizhov, Mihail; Choi, Kyungeon; Chouridou, Sofia; Chow, Bonnie Kar Bo; Christodoulou, Valentinos; Chromek-Burckhart, Doris; Chudoba, Jiri; Chuinard, Annabelle Julia; Chwastowski, Janusz; Chytka, Ladislav; Ciapetti, Guido; Ciftci, Abbas Kenan; Cinca, Diane; Cindro, Vladimir; Cioara, Irina Antonela; Ciocio, Alessandra; Cirotto, Francesco; Citron, Zvi Hirsh; Ciubancan, Mihai; Clark, Allan G; Clark, Brian Lee; Clark, Philip James; Clarke, Robert; Clement, Christophe; Coadou, Yann; Cobal, Marina; Coccaro, Andrea; Cochran, James H; Coffey, Laurel; Cogan, Joshua Godfrey; Colasurdo, Luca; Cole, Brian; Cole, Stephen; Colijn, Auke-Pieter; Collot, Johann; Colombo, Tommaso; Compostella, Gabriele; Conde Muiño, Patricia; Coniavitis, Elias; Connell, Simon Henry; Connelly, Ian; Consorti, Valerio; Constantinescu, Serban; Conta, Claudio; Conti, Geraldine; Conventi, Francesco; Cooke, Mark; Cooper, Ben; Cooper-Sarkar, Amanda; Cornelissen, Thijs; Corradi, Massimo; Corriveau, Francois; Corso-Radu, Alina; Cortes-Gonzalez, Arely; Cortiana, Giorgio; Costa, Giuseppe; Costa, María José; Costanzo, Davide; Côté, David; Cottin, Giovanna; Cowan, Glen; Cox, Brian; Cranmer, Kyle; Cree, Graham; Crépé-Renaudin, Sabine; Crescioli, Francesco; Cribbs, Wayne Allen; Crispin Ortuzar, Mireia; Cristinziani, Markus; Croft, Vince; Crosetti, Giovanni; Cuhadar Donszelmann, Tulay; Cummings, Jane; Curatolo, Maria; Cúth, Jakub; Cuthbert, Cameron; Czirr, Hendrik; Czodrowski, Patrick; D'Auria, Saverio; D'Onofrio, Monica; Da Cunha Sargedas De Sousa, Mario Jose; Da Via, Cinzia; Dabrowski, Wladyslaw; Dafinca, Alexandru; Dai, Tiesheng; Dale, Orjan; Dallaire, Frederick; Dallapiccola, Carlo; Dam, Mogens; Dandoy, Jeffrey Rogers; Dang, Nguyen Phuong; Daniells, Andrew Christopher; Danninger, Matthias; Dano Hoffmann, Maria; Dao, Valerio; Darbo, Giovanni; Darmora, Smita; Dassoulas, James; Dattagupta, Aparajita; Davey, Will; David, Claire; Davidek, Tomas; Davies, Eleanor; Davies, Merlin; Davison, Peter; Davygora, Yuriy; Dawe, Edmund; Dawson, Ian; Daya-Ishmukhametova, Rozmin; De, Kaushik; de Asmundis, Riccardo; De Benedetti, Abraham; De Castro, Stefano; De Cecco, Sandro; De Groot, Nicolo; de Jong, Paul; De la Torre, Hector; De Lorenzi, Francesco; De Pedis, Daniele; De Salvo, Alessandro; De Sanctis, Umberto; De Santo, Antonella; De Vivie De Regie, Jean-Baptiste; Dearnaley, William James; Debbe, Ramiro; Debenedetti, Chiara; Dedovich, Dmitri; Deigaard, Ingrid; Del Peso, Jose; Del Prete, Tarcisio; Delgove, David; Deliot, Frederic; Delitzsch, Chris Malena; Deliyergiyev, Maksym; Dell'Acqua, Andrea; Dell'Asta, Lidia; Dell'Orso, Mauro; Della Pietra, Massimo; della Volpe, Domenico; Delmastro, Marco; Delsart, Pierre-Antoine; Deluca, Carolina; DeMarco, David; Demers, Sarah; Demichev, Mikhail; Demilly, Aurelien; Denisov, Sergey; Derendarz, Dominik; Derkaoui, Jamal Eddine; Derue, Frederic; Dervan, Paul; Desch, Klaus Kurt; Deterre, Cecile; Dette, Karola; Deviveiros, Pier-Olivier; Dewhurst, Alastair; Dhaliwal, Saminder; Di Ciaccio, Anna; Di Ciaccio, Lucia; Di Domenico, Antonio; Di Donato, Camilla; Di Girolamo, Alessandro; Di Girolamo, Beniamino; Di Mattia, Alessandro; Di Micco, Biagio; Di Nardo, Roberto; Di Simone, Andrea; Di Sipio, Riccardo; Di Valentino, David; Diaconu, Cristinel; Diamond, Miriam; Dias, Flavia; Diaz, Marco Aurelio; Diehl, Edward; Dietrich, Janet; Diglio, Sara; Dimitrievska, Aleksandra; Dingfelder, Jochen; Dita, Petre; Dita, Sanda; Dittus, Fridolin; Djama, Fares; Djobava, Tamar; Djuvsland, Julia Isabell; Barros do Vale, Maria Aline; Dobos, Daniel; Dobre, Monica; Doglioni, Caterina; Dohmae, Takeshi; Dolejsi, Jiri; Dolezal, Zdenek; Dolgoshein, Boris; Donadelli, Marisilvia; Donati, Simone; Dondero, Paolo; Donini, Julien; Dopke, Jens; Doria, Alessandra; Dova, Maria-Teresa; Doyle, Tony; Drechsler, Eric; Dris, Manolis; Du, Yanyan; Dubreuil, Emmanuelle; Duchovni, Ehud; Duckeck, Guenter; Ducu, Otilia Anamaria; Duda, Dominik; Dudarev, Alexey; Duflot, Laurent; Duguid, Liam; Dührssen, Michael; Dunford, Monica; Duran Yildiz, Hatice; Düren, Michael; Durglishvili, Archil; Duschinger, Dirk; Dutta, Baishali; Dyndal, Mateusz; Eckardt, Christoph; Ecker, Katharina Maria; Edgar, Ryan Christopher; Edson, William; Edwards, Nicholas Charles; Ehrenfeld, Wolfgang; Eifert, Till; Eigen, Gerald; Einsweiler, Kevin; Ekelof, Tord; El Kacimi, Mohamed; Ellert, Mattias; Elles, Sabine; Ellinghaus, Frank; Elliot, Alison; Ellis, Nicolas; Elmsheuser, Johannes; Elsing, Markus; Emeliyanov, Dmitry; Enari, Yuji; Endner, Oliver Chris; Endo, Masaki; Erdmann, Johannes; Ereditato, Antonio; Ernis, Gunar; Ernst, Jesse; Ernst, Michael; Errede, Steven; Ertel, Eugen; Escalier, Marc; Esch, Hendrik; Escobar, Carlos; Esposito, Bellisario; Etienvre, Anne-Isabelle; Etzion, Erez; Evans, Hal; Ezhilov, Alexey; Fabbri, Laura; Facini, Gabriel; Fakhrutdinov, Rinat; Falciano, Speranza; Falla, Rebecca Jane; Faltova, Jana; Fang, Yaquan; Fanti, Marcello; Farbin, Amir; Farilla, Addolorata; Farooque, Trisha; Farrell, Steven; Farrington, Sinead; Farthouat, Philippe; Fassi, Farida; Fassnacht, Patrick; Fassouliotis, Dimitrios; Faucci Giannelli, Michele; Favareto, Andrea; Fayard, Louis; Fedin, Oleg; Fedorko, Wojciech; Feigl, Simon; Feligioni, Lorenzo; Feng, Cunfeng; Feng, Eric; Feng, Haolu; Fenyuk, Alexander; Feremenga, Last; Fernandez Martinez, Patricia; Fernandez Perez, Sonia; Ferrando, James; Ferrari, Arnaud; Ferrari, Pamela; Ferrari, Roberto; Ferreira de Lima, Danilo Enoque; Ferrer, Antonio; Ferrere, Didier; Ferretti, Claudio; Ferretto Parodi, Andrea; Fiascaris, Maria; Fiedler, Frank; Filipčič, Andrej; Filipuzzi, Marco; Filthaut, Frank; Fincke-Keeler, Margret; Finelli, Kevin Daniel; Fiolhais, Miguel; Fiorini, Luca; Firan, Ana; Fischer, Adam; Fischer, Cora; Fischer, Julia; Fisher, Wade Cameron; Flaschel, Nils; Fleck, Ivor; Fleischmann, Philipp; Fletcher, Gareth Thomas; Fletcher, Gregory; Fletcher, Rob Roy MacGregor; Flick, Tobias; Floderus, Anders; Flores Castillo, Luis; Flowerdew, Michael; Formica, Andrea; Forti, Alessandra; Fournier, Daniel; Fox, Harald; Fracchia, Silvia; Francavilla, Paolo; Franchini, Matteo; Francis, David; Franconi, Laura; Franklin, Melissa; Frate, Meghan; Fraternali, Marco; Freeborn, David; French, Sky; Fressard-Batraneanu, Silvia; Friedrich, Felix; Froidevaux, Daniel; Frost, James; Fukunaga, Chikara; Fullana Torregrosa, Esteban; Fulsom, Bryan Gregory; Fusayasu, Takahiro; Fuster, Juan; Gabaldon, Carolina; Gabizon, Ofir; Gabrielli, Alessandro; Gabrielli, Andrea; Gach, Grzegorz; Gadatsch, Stefan; Gadomski, Szymon; Gagliardi, Guido; Gagnon, Pauline; Galea, Cristina; Galhardo, Bruno; Gallas, Elizabeth; Gallop, Bruce; Gallus, Petr; Galster, Gorm Aske Gram Krohn; Gan, KK; Gao, Jun; Gao, Yanyan; Gao, Yongsheng; Garay Walls, Francisca; Garberson, Ford; García, Carmen; García Navarro, José Enrique; Garcia-Sciveres, Maurice; Gardner, Robert; Garelli, Nicoletta; Garonne, Vincent; Gatti, Claudio; Gaudiello, Andrea; Gaudio, Gabriella; Gaur, Bakul; Gauthier, Lea; Gauzzi, Paolo; Gavrilenko, Igor; Gay, Colin; Gaycken, Goetz; Gazis, Evangelos; Ge, Peng; Gecse, Zoltan; Gee, Norman; Geich-Gimbel, Christoph; Geisler, Manuel Patrice; Gemme, Claudia; Genest, Marie-Hélène; Geng, Cong; Gentile, Simonetta; George, Matthias; George, Simon; Gerbaudo, Davide; Gershon, Avi; Ghasemi, Sara; Ghazlane, Hamid; Giacobbe, Benedetto; Giagu, Stefano; Giangiobbe, Vincent; Giannetti, Paola; Gibbard, Bruce; Gibson, Stephen; Gignac, Matthew; Gilchriese, Murdock; Gillam, Thomas; Gillberg, Dag; Gilles, Geoffrey; Gingrich, Douglas; Giokaris, Nikos; Giordani, MarioPaolo; Giorgi, Filippo Maria; Giorgi, Francesco Michelangelo; Giraud, Pierre-Francois; Giromini, Paolo; Giugni, Danilo; Giuliani, Claudia; Giulini, Maddalena; Gjelsten, Børge Kile; Gkaitatzis, Stamatios; Gkialas, Ioannis; Gkougkousis, Evangelos Leonidas; Gladilin, Leonid; Glasman, Claudia; Glatzer, Julian; Glaysher, Paul; Glazov, Alexandre; Goblirsch-Kolb, Maximilian; Goddard, Jack Robert; Godlewski, Jan; Goldfarb, Steven; Golling, Tobias; Golubkov, Dmitry; Gomes, Agostinho; Gonçalo, Ricardo; Goncalves Pinto Firmino Da Costa, Joao; Gonella, Laura; González de la Hoz, Santiago; Gonzalez Parra, Garoe; Gonzalez-Sevilla, Sergio; Goossens, Luc; Gorbounov, Petr Andreevich; Gordon, Howard; Gorelov, Igor; Gorini, Benedetto; Gorini, Edoardo; Gorišek, Andrej; Gornicki, Edward; Goshaw, Alfred; Gössling, Claus; Gostkin, Mikhail Ivanovitch; Goujdami, Driss; Goussiou, Anna; Govender, Nicolin; Gozani, Eitan; Grabas, Herve Marie Xavier; Graber, Lars; Grabowska-Bold, Iwona; Gradin, Per Olov Joakim; Grafström, Per; Gramling, Johanna; Gramstad, Eirik; Grancagnolo, Sergio; Gratchev, Vadim; Gray, Heather; Graziani, Enrico; Greenwood, Zeno Dixon; Grefe, Christian; Gregersen, Kristian; Gregor, Ingrid-Maria; Grenier, Philippe; Griffiths, Justin; Grillo, Alexander; Grimm, Kathryn; Grinstein, Sebastian; Gris, Philippe Luc Yves; Grivaz, Jean-Francois; Groh, Sabrina; Grohs, Johannes Philipp; Grohsjean, Alexander; Gross, Eilam; Grosse-Knetter, Joern; Grossi, Giulio Cornelio; Grout, Zara Jane; Guan, Liang; Guenther, Jaroslav; Guescini, Francesco; Guest, Daniel; Gueta, Orel; Guido, Elisa; Guillemin, Thibault; Guindon, Stefan; Gul, Umar; Gumpert, Christian; Guo, Jun; Guo, Yicheng; Gupta, Shaun; Gustavino, Giuliano; Gutierrez, Phillip; Gutierrez Ortiz, Nicolas Gilberto; Gutschow, Christian; Guyot, Claude; Gwenlan, Claire; Gwilliam, Carl; Haas, Andy; Haber, Carl; Hadavand, Haleh Khani; Haddad, Nacim; Haefner, Petra; Hageböck, Stephan; Hajduk, Zbigniew; Hakobyan, Hrachya; Haleem, Mahsana; Haley, Joseph; Hall, David; Halladjian, Garabed; Hallewell, Gregory David; Hamacher, Klaus; Hamal, Petr; Hamano, Kenji; Hamilton, Andrew; Hamity, Guillermo Nicolas; Hamnett, Phillip George; Han, Liang; Hanagaki, Kazunori; Hanawa, Keita; Hance, Michael; Haney, Bijan; Hanke, Paul; Hanna, Remie; Hansen, Jørgen Beck; Hansen, Jorn Dines; Hansen, Maike Christina; Hansen, Peter Henrik; Hara, Kazuhiko; Hard, Andrew; Harenberg, Torsten; Hariri, Faten; Harkusha, Siarhei; Harrington, Robert; Harrison, Paul Fraser; Hartjes, Fred; Hasegawa, Makoto; Hasegawa, Yoji; Hasib, A; Hassani, Samira; Haug, Sigve; Hauser, Reiner; Hauswald, Lorenz; Havranek, Miroslav; Hawkes, Christopher; Hawkings, Richard John; Hawkins, Anthony David; Hayashi, Takayasu; Hayden, Daniel; Hays, Chris; Hays, Jonathan Michael; Hayward, Helen; Haywood, Stephen; Head, Simon; Heck, Tobias; Hedberg, Vincent; Heelan, Louise; Heim, Sarah; Heim, Timon; Heinemann, Beate; Heinrich, Lukas; Hejbal, Jiri; Helary, Louis; Hellman, Sten; Helsens, Clement; Henderson, James; Henderson, Robert; Heng, Yang; Hengler, Christopher; Henkelmann, Steffen; Henrichs, Anna; Henriques Correia, Ana Maria; Henrot-Versille, Sophie; Herbert, Geoffrey Henry; Hernández Jiménez, Yesenia; Herten, Gregor; Hertenberger, Ralf; Hervas, Luis; Hesketh, Gavin Grant; Hessey, Nigel; Hetherly, Jeffrey Wayne; Hickling, Robert; Higón-Rodriguez, Emilio; Hill, Ewan; Hill, John; Hiller, Karl Heinz; Hillier, Stephen; Hinchliffe, Ian; Hines, Elizabeth; Hinman, Rachel Reisner; Hirose, Minoru; Hirschbuehl, Dominic; Hobbs, John; Hod, Noam; Hodgkinson, Mark; Hodgson, Paul; Hoecker, Andreas; Hoeferkamp, Martin; Hoenig, Friedrich; Hohlfeld, Marc; Hohn, David; Holmes, Tova Ray; Homann, Michael; Hong, Tae Min; Hopkins, Walter; Horii, Yasuyuki; Horton, Arthur James; Hostachy, Jean-Yves; Hou, Suen; Hoummada, Abdeslam; Howard, Jacob; Howarth, James; Hrabovsky, Miroslav; Hristova, Ivana; Hrivnac, Julius; Hryn'ova, Tetiana; Hrynevich, Aliaksei; Hsu, Catherine; Hsu, Pai-hsien Jennifer; Hsu, Shih-Chieh; Hu, Diedi; Hu, Qipeng; Hu, Xueye; Huang, Yanping; Hubacek, Zdenek; Hubaut, Fabrice; Huegging, Fabian; Huffman, Todd Brian; Hughes, Emlyn; Hughes, Gareth; Huhtinen, Mika; Hülsing, Tobias Alexander; Huseynov, Nazim; Huston, Joey; Huth, John; Iacobucci, Giuseppe; Iakovidis, Georgios; Ibragimov, Iskander; Iconomidou-Fayard, Lydia; Ideal, Emma; Idrissi, Zineb; Iengo, Paolo; Igonkina, Olga; Iizawa, Tomoya; Ikegami, Yoichi; Ikeno, Masahiro; Ilchenko, Iurii; Iliadis, Dimitrios; Ilic, Nikolina; Ince, Tayfun; Introzzi, Gianluca; Ioannou, Pavlos; Iodice, Mauro; Iordanidou, Kalliopi; Ippolito, Valerio; Irles Quiles, Adrian; Isaksson, Charlie; Ishino, Masaya; Ishitsuka, Masaki; Ishmukhametov, Renat; Issever, Cigdem; Istin, Serhat; Iturbe Ponce, Julia Mariana; Iuppa, Roberto; Ivarsson, Jenny; Iwanski, Wieslaw; Iwasaki, Hiroyuki; Izen, Joseph; Izzo, Vincenzo; Jabbar, Samina; Jackson, Brett; Jackson, Matthew; Jackson, Paul; Jaekel, Martin; Jain, Vivek; Jakobi, Katharina Bianca; Jakobs, Karl; Jakobsen, Sune; Jakoubek, Tomas; Jakubek, Jan; Jamin, David Olivier; Jana, Dilip; Jansen, Eric; Jansky, Roland; Janssen, Jens; Janus, Michel; Jarlskog, Göran; Javadov, Namig; Javůrek, Tomáš; Jeanty, Laura; Jejelava, Juansher; Jeng, Geng-yuan; Jennens, David; Jenni, Peter; Jentzsch, Jennifer; Jeske, Carl; Jézéquel, Stéphane; Ji, Haoshuang; Jia, Jiangyong; Jiang, Hai; Jiang, Yi; Jiggins, Stephen; Jimenez Pena, Javier; Jin, Shan; Jinaru, Adam; Jinnouchi, Osamu; Joergensen, Morten Dam; Johansson, Per; Johns, Kenneth; Johnson, William Joseph; Jon-And, Kerstin; Jones, Graham; Jones, Roger; Jones, Tim; Jongmanns, Jan; Jorge, Pedro; Joshi, Kiran Daniel; Jovicevic, Jelena; Ju, Xiangyang; Juste Rozas, Aurelio; Kaci, Mohammed; Kaczmarska, Anna; Kado, Marumi; Kagan, Harris; Kagan, Michael; Kahn, Sebastien Jonathan; Kajomovitz, Enrique; Kalderon, Charles William; Kaluza, Adam; Kama, Sami; Kamenshchikov, Andrey; Kanaya, Naoko; Kaneti, Steven; Kantserov, Vadim; Kanzaki, Junichi; Kaplan, Benjamin; Kaplan, Laser Seymour; Kapliy, Anton; Kar, Deepak; Karakostas, Konstantinos; Karamaoun, Andrew; Karastathis, Nikolaos; Kareem, Mohammad Jawad; Karentzos, Efstathios; Karnevskiy, Mikhail; Karpov, Sergey; Karpova, Zoya; Karthik, Krishnaiyengar; Kartvelishvili, Vakhtang; Karyukhin, Andrey; Kasahara, Kota; Kashif, Lashkar; Kass, Richard; Kastanas, Alex; Kataoka, Yousuke; Kato, Chikuma; Katre, Akshay; Katzy, Judith; Kawade, Kentaro; Kawagoe, Kiyotomo; Kawamoto, Tatsuo; Kawamura, Gen; Kazama, Shingo; Kazanin, Vassili; Keeler, Richard; Kehoe, Robert; Keller, John; Kempster, Jacob Julian; Keoshkerian, Houry; Kepka, Oldrich; Kerševan, Borut Paul; Kersten, Susanne; Keyes, Robert; Khalil-zada, Farkhad; Khandanyan, Hovhannes; Khanov, Alexander; Kharlamov, Alexey; Khoo, Teng Jian; Khovanskiy, Valery; Khramov, Evgeniy; Khubua, Jemal; Kido, Shogo; Kim, Hee Yeun; Kim, Shinhong; Kim, Young-Kee; Kimura, Naoki; Kind, Oliver Maria; King, Barry; King, Matthew; King, Samuel Burton; Kirk, Julie; Kiryunin, Andrey; Kishimoto, Tomoe; Kisielewska, Danuta; Kiss, Florian; Kiuchi, Kenji; Kivernyk, Oleh; Kladiva, Eduard; Klein, Matthew Henry; Klein, Max; Klein, Uta; Kleinknecht, Konrad; Klimek, Pawel; Klimentov, Alexei; Klingenberg, Reiner; Klinger, Joel Alexander; Klioutchnikova, Tatiana; Kluge, Eike-Erik; Kluit, Peter; Kluth, Stefan; Knapik, Joanna; Kneringer, Emmerich; Knoops, Edith; Knue, Andrea; Kobayashi, Aine; Kobayashi, Dai; Kobayashi, Tomio; Kobel, Michael; Kocian, Martin; Kodys, Peter; Koffas, Thomas; Koffeman, Els; Kogan, Lucy Anne; Kohlmann, Simon; Kohout, Zdenek; Kohriki, Takashi; Koi, Tatsumi; Kolanoski, Hermann; Kolb, Mathis; Koletsou, Iro; Komar, Aston; Komori, Yuto; Kondo, Takahiko; Kondrashova, Nataliia; Köneke, Karsten; König, Adriaan; Kono, Takanori; Konoplich, Rostislav; Konstantinidis, Nikolaos; Kopeliansky, Revital; Koperny, Stefan; Köpke, Lutz; Kopp, Anna Katharina; Korcyl, Krzysztof; Kordas, Kostantinos; Korn, Andreas; Korol, Aleksandr; Korolkov, Ilya; Korolkova, Elena; Kortner, Oliver; Kortner, Sandra; Kosek, Tomas; Kostyukhin, Vadim; Kotov, Vladislav; Kotwal, Ashutosh; Kourkoumeli-Charalampidi, Athina; Kourkoumelis, Christine; Kouskoura, Vasiliki; Koutsman, Alex; Kowalewski, Robert Victor; Kowalski, Tadeusz; Kozanecki, Witold; Kozhin, Anatoly; Kramarenko, Viktor; Kramberger, Gregor; Krasnopevtsev, Dimitriy; Krasny, Mieczyslaw Witold; Krasznahorkay, Attila; Kraus, Jana; Kravchenko, Anton; Kreiss, Sven; Kretz, Moritz; Kretzschmar, Jan; Kreutzfeldt, Kristof; Krieger, Peter; Krizka, Karol; Kroeninger, Kevin; Kroha, Hubert; Kroll, Joe; Kroseberg, Juergen; Krstic, Jelena; Kruchonak, Uladzimir; Krüger, Hans; Krumnack, Nils; Kruse, Amanda; Kruse, Mark; Kruskal, Michael; Kubota, Takashi; Kucuk, Hilal; Kuday, Sinan; Kuehn, Susanne; Kugel, Andreas; Kuger, Fabian; Kuhl, Andrew; Kuhl, Thorsten; Kukhtin, Victor; Kukla, Romain; Kulchitsky, Yuri; Kuleshov, Sergey; Kuna, Marine; Kunigo, Takuto; Kupco, Alexander; Kurashige, Hisaya; Kurochkin, Yurii; Kus, Vlastimil; Kuwertz, Emma Sian; Kuze, Masahiro; Kvita, Jiri; Kwan, Tony; Kyriazopoulos, Dimitrios; La Rosa, Alessandro; La Rosa Navarro, Jose Luis; La Rotonda, Laura; Lacasta, Carlos; Lacava, Francesco; Lacey, James; Lacker, Heiko; Lacour, Didier; Lacuesta, Vicente Ramón; Ladygin, Evgueni; Lafaye, Remi; Laforge, Bertrand; Lagouri, Theodota; Lai, Stanley; Lambourne, Luke; Lammers, Sabine; Lampen, Caleb; Lampl, Walter; Lançon, Eric; Landgraf, Ulrich; Landon, Murrough; Lang, Valerie Susanne; Lange, J örn Christian; Lankford, Andrew; Lanni, Francesco; Lantzsch, Kerstin; Lanza, Agostino; Laplace, Sandrine; Lapoire, Cecile; Laporte, Jean-Francois; Lari, Tommaso; Lasagni Manghi, Federico; Lassnig, Mario; Laurelli, Paolo; Lavrijsen, Wim; Law, Alexander; Laycock, Paul; Lazovich, Tomo; Le Dortz, Olivier; Le Guirriec, Emmanuel; Le Menedeu, Eve; LeBlanc, Matthew Edgar; LeCompte, Thomas; Ledroit-Guillon, Fabienne Agnes Marie; Lee, Claire Alexandra; Lee, Shih-Chang; Lee, Lawrence; Lefebvre, Guillaume; Lefebvre, Michel; Legger, Federica; Leggett, Charles; Lehan, Allan; Lehmann Miotto, Giovanna; Lei, Xiaowen; Leight, William Axel; Leisos, Antonios; Leister, Andrew Gerard; Leite, Marco Aurelio Lisboa; Leitner, Rupert; Lellouch, Daniel; Lemmer, Boris; Leney, Katharine; Lenz, Tatjana; Lenzi, Bruno; Leone, Robert; Leone, Sandra; Leonidopoulos, Christos; Leontsinis, Stefanos; Leroy, Claude; Lester, Christopher; Levchenko, Mikhail; Levêque, Jessica; Levin, Daniel; Levinson, Lorne; Levy, Mark; Lewis, Adrian; Leyko, Agnieszka; Leyton, Michael; Li, Bing; Li, Bo; Li, Haifeng; Li, Ho Ling; Li, Lei; Li, Liang; Li, Shu; Li, Xingguo; Li, Yichen; Liang, Zhijun; Liao, Hongbo; Liberti, Barbara; Liblong, Aaron; Lichard, Peter; Lie, Ki; Liebal, Jessica; Liebig, Wolfgang; Limbach, Christian; Limosani, Antonio; Lin, Simon; Lin, Tai-Hua; Linde, Frank; Lindquist, Brian Edward; Linnemann, James; Lipeles, Elliot; Lipniacka, Anna; Lisovyi, Mykhailo; Liss, Tony; Lissauer, David; Lister, Alison; Litke, Alan; Liu, Bo; Liu, Dong; Liu, Hao; Liu, Jian; Liu, Jianbei; Liu, Kun; Liu, Lulu; Liu, Miaoyuan; Liu, Minghui; Liu, Yanwen; Livan, Michele; Lleres, Annick; Llorente Merino, Javier; Lloyd, Stephen; Lo Sterzo, Francesco; Lobodzinska, Ewelina; Loch, Peter; Lockman, William; Loebinger, Fred; Loevschall-Jensen, Ask Emil; Loew, Kevin Michael; Loginov, Andrey; Lohse, Thomas; Lohwasser, Kristin; Lokajicek, Milos; Long, Brian Alexander; Long, Jonathan David; Long, Robin Eamonn; Looper, Kristina Anne; Lopes, Lourenco; Lopez Mateos, David; Lopez Paredes, Brais; Lopez Paz, Ivan; Lorenz, Jeanette; Lorenzo Martinez, Narei; Losada, Marta; Lösel, Philipp Jonathan; Lou, XinChou; Lounis, Abdenour; Love, Jeremy; Love, Peter; Lu, Haonan; Lu, Nan; Lubatti, Henry; Luci, Claudio; Lucotte, Arnaud; Luedtke, Christian; Luehring, Frederick; Lukas, Wolfgang; Luminari, Lamberto; Lundberg, Olof; Lund-Jensen, Bengt; Lynn, David; Lysak, Roman; Lytken, Else; Ma, Hong; Ma, Lian Liang; Maccarrone, Giovanni; Macchiolo, Anna; Macdonald, Calum Michael; Maček, Boštjan; Machado Miguens, Joana; Macina, Daniela; Madaffari, Daniele; Madar, Romain; Maddocks, Harvey Jonathan; Mader, Wolfgang; Madsen, Alexander; Maeda, Junpei; Maeland, Steffen; Maeno, Tadashi; Maevskiy, Artem; Magradze, Erekle; Mahboubi, Kambiz; Mahlstedt, Joern; Maiani, Camilla; Maidantchik, Carmen; Maier, Andreas Alexander; Maier, Thomas; Maio, Amélia; Majewski, Stephanie; Makida, Yasuhiro; Makovec, Nikola; Malaescu, Bogdan; Malecki, Pawel; Maleev, Victor; Malek, Fairouz; Mallik, Usha; Malon, David; Malone, Caitlin; Maltezos, Stavros; Malyshev, Vladimir; Malyukov, Sergei; Mamuzic, Judita; Mancini, Giada; Mandelli, Beatrice; Mandelli, Luciano; Mandić, Igor; Mandrysch, Rocco; Maneira, José; Manhaes de Andrade Filho, Luciano; Manjarres Ramos, Joany; Mann, Alexander; Manousakis-Katsikakis, Arkadios; Mansoulie, Bruno; Mantifel, Rodger; Mantoani, Matteo; Mapelli, Livio; March, Luis; Marchiori, Giovanni; Marcisovsky, Michal; Marino, Christopher; Marjanovic, Marija; Marley, Daniel; Marroquim, Fernando; Marsden, Stephen Philip; Marshall, Zach; Marti, Lukas Fritz; Marti-Garcia, Salvador; Martin, Brian Thomas; Martin, Tim; Martin, Victoria Jane; Martin dit Latour, Bertrand; Martinez, Mario; Martin-Haugh, Stewart; Martoiu, Victor Sorin; Martyniuk, Alex; Marx, Marilyn; Marzano, Francesco; Marzin, Antoine; Masetti, Lucia; Mashimo, Tetsuro; Mashinistov, Ruslan; Masik, Jiri; Maslennikov, Alexey; Massa, Ignazio; Massa, Lorenzo; Mastrandrea, Paolo; Mastroberardino, Anna; Masubuchi, Tatsuya; Mättig, Peter; Mattmann, Johannes; Maurer, Julien; Maxfield, Stephen; Maximov, Dmitriy; Mazini, Rachid; Mazza, Simone Michele; Mc Goldrick, Garrin; Mc Kee, Shawn Patrick; McCarn, Allison; McCarthy, Robert; McCarthy, Tom; McCubbin, Norman; McFarlane, Kenneth; Mcfayden, Josh; Mchedlidze, Gvantsa; McMahon, Steve; McPherson, Robert; Medinnis, Michael; Meehan, Samuel; Mehlhase, Sascha; Mehta, Andrew; Meier, Karlheinz; Meineck, Christian; Meirose, Bernhard; Mellado Garcia, Bruce Rafael; Meloni, Federico; Mengarelli, Alberto; Menke, Sven; Meoni, Evelin; Mercurio, Kevin Michael; Mergelmeyer, Sebastian; Mermod, Philippe; Merola, Leonardo; Meroni, Chiara; Merritt, Frank; Messina, Andrea; Metcalfe, Jessica; Mete, Alaettin Serhan; Meyer, Carsten; Meyer, Christopher; Meyer, Jean-Pierre; Meyer, Jochen; Meyer Zu Theenhausen, Hanno; Middleton, Robin; Miglioranzi, Silvia; Mijović, Liza; Mikenberg, Giora; Mikestikova, Marcela; Mikuž, Marko; Milesi, Marco; Milic, Adriana; Miller, David; Mills, Corrinne; Milov, Alexander; Milstead, David; Minaenko, Andrey; Minami, Yuto; Minashvili, Irakli; Mincer, Allen; Mindur, Bartosz; Mineev, Mikhail; Ming, Yao; Mir, Lluisa-Maria; Mistry, Khilesh; Mitani, Takashi; Mitrevski, Jovan; Mitsou, Vasiliki A; Miucci, Antonio; Miyagawa, Paul; Mjörnmark, Jan-Ulf; Moa, Torbjoern; Mochizuki, Kazuya; Mohapatra, Soumya; Mohr, Wolfgang; Molander, Simon; Moles-Valls, Regina; Monden, Ryutaro; Mondragon, Matthew Craig; Mönig, Klaus; Monini, Caterina; Monk, James; Monnier, Emmanuel; Montalbano, Alyssa; Montejo Berlingen, Javier; Monticelli, Fernando; Monzani, Simone; Moore, Roger; Morange, Nicolas; Moreno, Deywis; Moreno Llácer, María; Morettini, Paolo; Mori, Daniel; Mori, Tatsuya; Morii, Masahiro; Morinaga, Masahiro; Morisbak, Vanja; Moritz, Sebastian; Morley, Anthony Keith; Mornacchi, Giuseppe; Morris, John; Mortensen, Simon Stark; Morton, Alexander; Morvaj, Ljiljana; Mosidze, Maia; Moss, Josh; Motohashi, Kazuki; Mount, Richard; Mountricha, Eleni; Mouraviev, Sergei; Moyse, Edward; Muanza, Steve; Mudd, Richard; Mueller, Felix; Mueller, James; Mueller, Ralph Soeren Peter; Mueller, Thibaut; Muenstermann, Daniel; Mullen, Paul; Mullier, Geoffrey; Munoz Sanchez, Francisca Javiela; Murillo Quijada, Javier Alberto; Murray, Bill; Musheghyan, Haykuhi; Musto, Elisa; Myagkov, Alexey; Myska, Miroslav; Nachman, Benjamin Philip; Nackenhorst, Olaf; Nadal, Jordi; Nagai, Koichi; Nagai, Ryo; Nagai, Yoshikazu; Nagano, Kunihiro; Nagarkar, Advait; Nagasaka, Yasushi; Nagata, Kazuki; Nagel, Martin; Nagy, Elemer; Nairz, Armin Michael; Nakahama, Yu; Nakamura, Koji; Nakamura, Tomoaki; Nakano, Itsuo; Namasivayam, Harisankar; Naranjo Garcia, Roger Felipe; Narayan, Rohin; Narrias Villar, Daniel Isaac; Naumann, Thomas; Navarro, Gabriela; Nayyar, Ruchika; Neal, Homer; Nechaeva, Polina; Neep, Thomas James; Nef, Pascal Daniel; Negri, Andrea; Negrini, Matteo; Nektarijevic, Snezana; Nellist, Clara; Nelson, Andrew; Nemecek, Stanislav; Nemethy, Peter; Nepomuceno, Andre Asevedo; Nessi, Marzio; Neubauer, Mark; Neumann, Manuel; Neves, Ricardo; Nevski, Pavel; Newman, Paul; Nguyen, Duong Hai; Nickerson, Richard; Nicolaidou, Rosy; Nicquevert, Bertrand; Nielsen, Jason; Nikiforou, Nikiforos; Nikiforov, Andriy; Nikolaenko, Vladimir; Nikolic-Audit, Irena; Nikolopoulos, Konstantinos; Nilsen, Jon Kerr; Nilsson, Paul; Ninomiya, Yoichi; Nisati, Aleandro; Nisius, Richard; Nobe, Takuya; Nodulman, Lawrence; Nomachi, Masaharu; Nomidis, Ioannis; Nooney, Tamsin; Norberg, Scarlet; Nordberg, Markus; Novgorodova, Olga; Nowak, Sebastian; Nozaki, Mitsuaki; Nozka, Libor; Ntekas, Konstantinos; Nunes Hanninger, Guilherme; Nunnemann, Thomas; Nurse, Emily; Nuti, Francesco; O'grady, Fionnbarr; O'Neil, Dugan; O'Shea, Val; Oakham, Gerald; Oberlack, Horst; Obermann, Theresa; Ocariz, Jose; Ochi, Atsuhiko; Ochoa, Ines; Ochoa-Ricoux, Juan Pedro; Oda, Susumu; Odaka, Shigeru; Ogren, Harold; Oh, Alexander; Oh, Seog; Ohm, Christian; Ohman, Henrik; Oide, Hideyuki; Okamura, Wataru; Okawa, Hideki; Okumura, Yasuyuki; Okuyama, Toyonobu; Olariu, Albert; Olivares Pino, Sebastian Andres; Oliveira Damazio, Denis; Olszewski, Andrzej; Olszowska, Jolanta; Onofre, António; Onogi, Kouta; Onyisi, Peter; Oram, Christopher; Oreglia, Mark; Oren, Yona; Orestano, Domizia; Orlando, Nicola; Oropeza Barrera, Cristina; Orr, Robert; Osculati, Bianca; Ospanov, Rustem; Otero y Garzon, Gustavo; Otono, Hidetoshi; Ouchrif, Mohamed; Ould-Saada, Farid; Ouraou, Ahmimed; Oussoren, Koen Pieter; Ouyang, Qun; Ovcharova, Ana; Owen, Mark; Owen, Rhys Edward; Ozcan, Veysi Erkcan; Ozturk, Nurcan; Pachal, Katherine; Pacheco Pages, Andres; Padilla Aranda, Cristobal; Pagáčová, Martina; Pagan Griso, Simone; Paganis, Efstathios; Paige, Frank; Pais, Preema; Pajchel, Katarina; Palacino, Gabriel; Palestini, Sandro; Palka, Marek; Pallin, Dominique; Palma, Alberto; Pan, Yibin; Panagiotopoulou, Evgenia; Pandini, Carlo Enrico; Panduro Vazquez, William; Pani, Priscilla; Panitkin, Sergey; Pantea, Dan; Paolozzi, Lorenzo; Papadopoulou, Theodora; Papageorgiou, Konstantinos; Paramonov, Alexander; Paredes Hernandez, Daniela; Parker, Michael Andrew; Parker, Kerry Ann; Parodi, Fabrizio; Parsons, John; Parzefall, Ulrich; Pasqualucci, Enrico; Passaggio, Stefano; Pastore, Fernanda; Pastore, Francesca; Pásztor, Gabriella; Pataraia, Sophio; Patel, Nikhul; Pater, Joleen; Pauly, Thilo; Pearce, James; Pearson, Benjamin; Pedersen, Lars Egholm; Pedersen, Maiken; Pedraza Lopez, Sebastian; Pedro, Rute; Peleganchuk, Sergey; Pelikan, Daniel; Penc, Ondrej; Peng, Cong; Peng, Haiping; Penning, Bjoern; Penwell, John; Perepelitsa, Dennis; Perez Codina, Estel; Pérez García-Estañ, María Teresa; Perini, Laura; Pernegger, Heinz; Perrella, Sabrina; Peschke, Richard; Peshekhonov, Vladimir; Peters, Krisztian; Peters, Yvonne; Petersen, Brian; Petersen, Troels; Petit, Elisabeth; Petridis, Andreas; Petridou, Chariclia; Petroff, Pierre; Petrolo, Emilio; Petrucci, Fabrizio; Pettersson, Nora Emilia; Pezoa, Raquel; Phillips, Peter William; Piacquadio, Giacinto; Pianori, Elisabetta; Picazio, Attilio; Piccaro, Elisa; Piccinini, Maurizio; Pickering, Mark Andrew; Piegaia, Ricardo; Pignotti, David; Pilcher, James; Pilkington, Andrew; Pin, Arnaud Willy J; Pina, João Antonio; Pinamonti, Michele; Pinfold, James; Pingel, Almut; Pires, Sylvestre; Pirumov, Hayk; Pitt, Michael; Pizio, Caterina; Plazak, Lukas; Pleier, Marc-Andre; Pleskot, Vojtech; Plotnikova, Elena; Plucinski, Pawel; Pluth, Daniel; Poettgen, Ruth; Poggioli, Luc; Pohl, David-leon; Polesello, Giacomo; Poley, Anne-luise; Policicchio, Antonio; Polifka, Richard; Polini, Alessandro; Pollard, Christopher Samuel; Polychronakos, Venetios; Pommès, Kathy; Pontecorvo, Ludovico; Pope, Bernard; Popeneciu, Gabriel Alexandru; Popovic, Dragan; Poppleton, Alan; Pospisil, Stanislav; Potamianos, Karolos; Potrap, Igor; Potter, Christina; Potter, Christopher; Poulard, Gilbert; Poveda, Joaquin; Pozdnyakov, Valery; Pozo Astigarraga, Mikel Eukeni; Pralavorio, Pascal; Pranko, Aliaksandr; Prasad, Srivas; Prell, Soeren; Price, Darren; Price, Lawrence; Primavera, Margherita; Prince, Sebastien; Proissl, Manuel; Prokofiev, Kirill; Prokoshin, Fedor; Protopapadaki, Eftychia-sofia; Protopopescu, Serban; Proudfoot, James; Przybycien, Mariusz; Ptacek, Elizabeth; Puddu, Daniele; Pueschel, Elisa; Puldon, David; Purohit, Milind; Puzo, Patrick; Qian, Jianming; Qin, Gang; Qin, Yang; Quadt, Arnulf; Quarrie, David; Quayle, William; Queitsch-Maitland, Michaela; Quilty, Donnchadha; Raddum, Silje; Radeka, Veljko; Radescu, Voica; Radhakrishnan, Sooraj Krishnan; Radloff, Peter; Rados, Pere; Ragusa, Francesco; Rahal, Ghita; Rajagopalan, Srinivasan; Rammensee, Michael; Rangel-Smith, Camila; Rauscher, Felix; Rave, Stefan; Ravenscroft, Thomas; Raymond, Michel; Read, Alexander Lincoln; Readioff, Nathan Peter; Rebuzzi, Daniela; Redelbach, Andreas; Redlinger, George; Reece, Ryan; Reeves, Kendall; Rehnisch, Laura; Reichert, Joseph; Reisin, Hernan; Rembser, Christoph; Ren, Huan; Renaud, Adrien; Rescigno, Marco; Resconi, Silvia; Rezanova, Olga; Reznicek, Pavel; Rezvani, Reyhaneh; Richter, Robert; Richter, Stefan; Richter-Was, Elzbieta; Ricken, Oliver; Ridel, Melissa; Rieck, Patrick; Riegel, Christian Johann; Rieger, Julia; Rifki, Othmane; Rijssenbeek, Michael; Rimoldi, Adele; Rinaldi, Lorenzo; Ristić, Branislav; Ritsch, Elmar; Riu, Imma; Rizatdinova, Flera; Rizvi, Eram; Robertson, Steven; Robichaud-Veronneau, Andree; Robinson, Dave; Robinson, James; Robson, Aidan; Roda, Chiara; Roe, Shaun; Røhne, Ole; Romaniouk, Anatoli; Romano, Marino; Romano Saez, Silvestre Marino; Romero Adam, Elena; Rompotis, Nikolaos; Ronzani, Manfredi; Roos, Lydia; Ros, Eduardo; Rosati, Stefano; Rosbach, Kilian; Rose, Peyton; Rosenthal, Oliver; Rossetti, Valerio; Rossi, Elvira; Rossi, Leonardo Paolo; Rosten, Jonatan; Rosten, Rachel; Rotaru, Marina; Roth, Itamar; Rothberg, Joseph; Rousseau, David; Royon, Christophe; Rozanov, Alexandre; Rozen, Yoram; Ruan, Xifeng; Rubbo, Francesco; Rubinskiy, Igor; Rud, Viacheslav; Rudolph, Christian; Rudolph, Matthew Scott; Rühr, Frederik; Ruiz-Martinez, Aranzazu; Rurikova, Zuzana; Rusakovich, Nikolai; Ruschke, Alexander; Russell, Heather; Rutherfoord, John; Ruthmann, Nils; Ryabov, Yury; Rybar, Martin; Rybkin, Grigori; Ryder, Nick; Ryzhov, Andrey; Saavedra, Aldo; Sabato, Gabriele; Sacerdoti, Sabrina; Saddique, Asif; Sadrozinski, Hartmut; Sadykov, Renat; Safai Tehrani, Francesco; Saha, Puja; Sahinsoy, Merve; Saimpert, Matthias; Saito, Tomoyuki; Sakamoto, Hiroshi; Sakurai, Yuki; Salamanna, Giuseppe; Salamon, Andrea; Salazar Loyola, Javier Esteban; Saleem, Muhammad; Salek, David; Sales De Bruin, Pedro Henrique; Salihagic, Denis; Salnikov, Andrei; Salt, José; Salvatore, Daniela; Salvatore, Pasquale Fabrizio; Salvucci, Antonio; Salzburger, Andreas; Sammel, Dirk; Sampsonidis, Dimitrios; Sanchez, Arturo; Sánchez, Javier; Sanchez Martinez, Victoria; Sandaker, Heidi; Sandbach, Ruth Laura; Sander, Heinz Georg; Sanders, Michiel; Sandhoff, Marisa; Sandoval, Carlos; Sandstroem, Rikard; Sankey, Dave; Sannino, Mario; Sansoni, Andrea; Santoni, Claudio; Santonico, Rinaldo; Santos, Helena; Santoyo Castillo, Itzebelt; Sapp, Kevin; Sapronov, Andrey; Saraiva, João; Sarrazin, Bjorn; Sasaki, Osamu; Sasaki, Yuichi; Sato, Koji; Sauvage, Gilles; Sauvan, Emmanuel; Savage, Graham; Savard, Pierre; Sawyer, Craig; Sawyer, Lee; Saxon, James; Sbarra, Carla; Sbrizzi, Antonio; Scanlon, Tim; Scannicchio, Diana; Scarcella, Mark; Scarfone, Valerio; Schaarschmidt, Jana; Schacht, Peter; Schaefer, Douglas; Schaefer, Ralph; Schaeffer, Jan; Schaepe, Steffen; Schaetzel, Sebastian; Schäfer, Uli; Schaffer, Arthur; Schaile, Dorothee; Schamberger, R Dean; Scharf, Veit; Schegelsky, Valery; Scheirich, Daniel; Schernau, Michael; Schiavi, Carlo; Schillo, Christian; Schioppa, Marco; Schlenker, Stefan; Schmieden, Kristof; Schmitt, Christian; Schmitt, Sebastian; Schmitt, Stefan; Schmitz, Simon; Schneider, Basil; Schnellbach, Yan Jie; Schnoor, Ulrike; Schoeffel, Laurent; Schoening, Andre; Schoenrock, Bradley Daniel; Schopf, Elisabeth; Schorlemmer, Andre Lukas; Schott, Matthias; Schouten, Doug; Schovancova, Jaroslava; Schramm, Steven; Schreyer, Manuel; Schuh, Natascha; Schultens, Martin Johannes; Schultz-Coulon, Hans-Christian; Schulz, Holger; Schumacher, Markus; Schumm, Bruce; Schune, Philippe; Schwanenberger, Christian; Schwartzman, Ariel; Schwarz, Thomas Andrew; Schwegler, Philipp; Schweiger, Hansdieter; Schwemling, Philippe; Schwienhorst, Reinhard; Schwindling, Jerome; Schwindt, Thomas; Scifo, Estelle; Sciolla, Gabriella; Scuri, Fabrizio; Scutti, Federico; Searcy, Jacob; Sedov, George; Sedykh, Evgeny; Seema, Pienpen; Seidel, Sally; Seiden, Abraham; Seifert, Frank; Seixas, José; Sekhniaidze, Givi; Sekhon, Karishma; Sekula, Stephen; Seliverstov, Dmitry; Semprini-Cesari, Nicola; Serfon, Cedric; Serin, Laurent; Serkin, Leonid; Serre, Thomas; Sessa, Marco; Seuster, Rolf; Severini, Horst; Sfiligoj, Tina; Sforza, Federico; Sfyrla, Anna; Shabalina, Elizaveta; Shamim, Mansoora; Shan, Lianyou; Shang, Ruo-yu; Shank, James; Shapiro, Marjorie; Shatalov, Pavel; Shaw, Kate; Shaw, Savanna Marie; Shcherbakova, Anna; Shehu, Ciwake Yusufu; Sherwood, Peter; Shi, Liaoshan; Shimizu, Shima; Shimmin, Chase Owen; Shimojima, Makoto; Shiyakova, Mariya; Shmeleva, Alevtina; Shoaleh Saadi, Diane; Shochet, Mel; Shojaii, Seyedruhollah; Shrestha, Suyog; Shulga, Evgeny; Shupe, Michael; Sicho, Petr; Sidebo, Per Edvin; Sidiropoulou, Ourania; Sidorov, Dmitri; Sidoti, Antonio; Siegert, Frank; Sijacki, Djordje; Silva, José; Silver, Yiftah; Silverstein, Samuel; Simak, Vladislav; Simard, Olivier; Simic, Ljiljana; Simion, Stefan; Simioni, Eduard; Simmons, Brinick; Simon, Dorian; Simon, Manuel; Sinervo, Pekka; Sinev, Nikolai; Sioli, Maximiliano; Siragusa, Giovanni; Sisakyan, Alexei; Sivoklokov, Serguei; Sjölin, Jörgen; Sjursen, Therese; Skinner, Malcolm Bruce; Skottowe, Hugh Philip; Skubic, Patrick; Slater, Mark; Slavicek, Tomas; Slawinska, Magdalena; Sliwa, Krzysztof; Smakhtin, Vladimir; Smart, Ben; Smestad, Lillian; Smirnov, Sergei; Smirnov, Yury; Smirnova, Lidia; Smirnova, Oxana; Smith, Matthew; Smith, Russell; Smizanska, Maria; Smolek, Karel; Snesarev, Andrei; Snidero, Giacomo; Snyder, Scott; Sobie, Randall; Socher, Felix; Soffer, Abner; Soh, Dart-yin; Sokhrannyi, Grygorii; Solans, Carlos; Solar, Michael; Solc, Jaroslav; Soldatov, Evgeny; Soldevila, Urmila; Solodkov, Alexander; Soloshenko, Alexei; Solovyanov, Oleg; Solovyev, Victor; Sommer, Philip; Song, Hong Ye; Soni, Nitesh; Sood, Alexander; Sopczak, Andre; Sopko, Bruno; Sopko, Vit; Sorin, Veronica; Sosa, David; Sosebee, Mark; Sotiropoulou, Calliope Louisa; Soualah, Rachik; Soukharev, Andrey; South, David; Sowden, Benjamin; Spagnolo, Stefania; Spalla, Margherita; Spangenberg, Martin; Spanò, Francesco; Spearman, William Robert; Sperlich, Dennis; Spettel, Fabian; Spighi, Roberto; Spigo, Giancarlo; Spiller, Laurence Anthony; Spousta, Martin; St Denis, Richard Dante; Stabile, Alberto; Staerz, Steffen; Stahlman, Jonathan; Stamen, Rainer; Stamm, Soren; Stanecka, Ewa; Stanek, Robert; Stanescu, Cristian; Stanescu-Bellu, Madalina; Stanitzki, Marcel Michael; Stapnes, Steinar; Starchenko, Evgeny; Stark, Jan; Staroba, Pavel; Starovoitov, Pavel; Staszewski, Rafal; Steinberg, Peter; Stelzer, Bernd; Stelzer, Harald Joerg; Stelzer-Chilton, Oliver; Stenzel, Hasko; Stewart, Graeme; Stillings, Jan Andre; Stockton, Mark; Stoebe, Michael; Stoicea, Gabriel; Stolte, Philipp; Stonjek, Stefan; Stradling, Alden; Straessner, Arno; Stramaglia, Maria Elena; Strandberg, Jonas; Strandberg, Sara; Strandlie, Are; Strauss, Emanuel; Strauss, Michael; Strizenec, Pavol; Ströhmer, Raimund; Strom, David; Stroynowski, Ryszard; Strubig, Antonia; Stucci, Stefania Antonia; Stugu, Bjarne; Styles, Nicholas Adam; Su, Dong; Su, Jun; Subramaniam, Rajivalochan; Succurro, Antonella; Suchek, Stanislav; Sugaya, Yorihito; Suk, Michal; Sulin, Vladimir; Sultansoy, Saleh; Sumida, Toshi; Sun, Siyuan; Sun, Xiaohu; Sundermann, Jan Erik; Suruliz, Kerim; Susinno, Giancarlo; Sutton, Mark; Suzuki, Shota; Svatos, Michal; Swiatlowski, Maximilian; Sykora, Ivan; Sykora, Tomas; Ta, Duc; Taccini, Cecilia; Tackmann, Kerstin; Taenzer, Joe; Taffard, Anyes; Tafirout, Reda; Taiblum, Nimrod; Takai, Helio; Takashima, Ryuichi; Takeda, Hiroshi; Takeshita, Tohru; Takubo, Yosuke; Talby, Mossadek; Talyshev, Alexey; Tam, Jason; Tan, Kong Guan; Tanaka, Junichi; Tanaka, Reisaburo; Tanaka, Shuji; Tannenwald, Benjamin Bordy; Tapia Araya, Sebastian; Tapprogge, Stefan; Tarem, Shlomit; Tarrade, Fabien; Tartarelli, Giuseppe Francesco; Tas, Petr; Tasevsky, Marek; Tashiro, Takuya; Tassi, Enrico; Tavares Delgado, Ademar; Tayalati, Yahya; Taylor, Aaron; Taylor, Frank; Taylor, Geoffrey; Taylor, Pierre Thor Elliot; Taylor, Wendy; Teischinger, Florian Alfred; Teixeira-Dias, Pedro; Temming, Kim Katrin; Temple, Darren; Ten Kate, Herman; Teng, Ping-Kun; Teoh, Jia Jian; Tepel, Fabian-Phillipp; Terada, Susumu; Terashi, Koji; Terron, Juan; Terzo, Stefano; Testa, Marianna; Teuscher, Richard; Theveneaux-Pelzer, Timothée; Thomas, Juergen; Thomas-Wilsker, Joshuha; Thompson, Emily; Thompson, Paul; Thompson, Ray; Thompson, Stan; Thomsen, Lotte Ansgaard; Thomson, Evelyn; Thomson, Mark; Thun, Rudolf; Tibbetts, Mark James; Ticse Torres, Royer Edson; Tikhomirov, Vladimir; Tikhonov, Yury; Timoshenko, Sergey; Tiouchichine, Elodie; Tipton, Paul; Tisserant, Sylvain; Todome, Kazuki; Todorov, Theodore; Todorova-Nova, Sharka; Tojo, Junji; Tokár, Stanislav; Tokushuku, Katsuo; Tollefson, Kirsten; Tolley, Emma; Tomlinson, Lee; Tomoto, Makoto; Tompkins, Lauren; Toms, Konstantin; Torrence, Eric; Torres, Heberth; Torró Pastor, Emma; Toth, Jozsef; Touchard, Francois; Tovey, Daniel; Trefzger, Thomas; Tremblet, Louis; Tricoli, Alessandro; Trigger, Isabel Marian; Trincaz-Duvoid, Sophie; Tripiana, Martin; Trischuk, William; Trocmé, Benjamin; Troncon, Clara; Trottier-McDonald, Michel; Trovatelli, Monica; Truong, Loan; Trzebinski, Maciej; Trzupek, Adam; Tsarouchas, Charilaos; Tseng, Jeffrey; Tsiareshka, Pavel; Tsionou, Dimitra; Tsipolitis, Georgios; Tsirintanis, Nikolaos; Tsiskaridze, Shota; Tsiskaridze, Vakhtang; Tskhadadze, Edisher; Tsui, Ka Ming; Tsukerman, Ilya; Tsulaia, Vakhtang; Tsuno, Soshi; Tsybychev, Dmitri; Tudorache, Alexandra; Tudorache, Valentina; Tuna, Alexander Naip; Tupputi, Salvatore; Turchikhin, Semen; Turecek, Daniel; Turra, Ruggero; Turvey, Andrew John; Tuts, Michael; Tykhonov, Andrii; Tylmad, Maja; Tyndel, Mike; Ueda, Ikuo; Ueno, Ryuichi; Ughetto, Michael; Ukegawa, Fumihiko; Unal, Guillaume; Undrus, Alexander; Unel, Gokhan; Ungaro, Francesca; Unno, Yoshinobu; Unverdorben, Christopher; Urban, Jozef; Urquijo, Phillip; Urrejola, Pedro; Usai, Giulio; Usanova, Anna; Vacavant, Laurent; Vacek, Vaclav; Vachon, Brigitte; Valderanis, Chrysostomos; Valencic, Nika; Valentinetti, Sara; Valero, Alberto; Valery, Loic; Valkar, Stefan; Vallecorsa, Sofia; Valls Ferrer, Juan Antonio; Van Den Wollenberg, Wouter; Van Der Deijl, Pieter; van der Geer, Rogier; van der Graaf, Harry; van Eldik, Niels; van Gemmeren, Peter; Van Nieuwkoop, Jacobus; van Vulpen, Ivo; van Woerden, Marius Cornelis; Vanadia, Marco; Vandelli, Wainer; Vanguri, Rami; Vaniachine, Alexandre; Vannucci, Francois; Vardanyan, Gagik; Vari, Riccardo; Varnes, Erich; Varol, Tulin; Varouchas, Dimitris; Vartapetian, Armen; Varvell, Kevin; Vazeille, Francois; Vazquez Schroeder, Tamara; Veatch, Jason; Veloce, Laurelle Maria; Veloso, Filipe; Velz, Thomas; Veneziano, Stefano; Ventura, Andrea; Ventura, Daniel; Venturi, Manuela; Venturi, Nicola; Venturini, Alessio; Vercesi, Valerio; Verducci, Monica; Verkerke, Wouter; Vermeulen, Jos; Vest, Anja; Vetterli, Michel; Viazlo, Oleksandr; Vichou, Irene; 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Wasicki, Christoph; Watkins, Peter; Watson, Alan; Watson, Ian; Watson, Miriam; Watts, Gordon; Watts, Stephen; Waugh, Ben; Webb, Samuel; Weber, Michele; Weber, Stefan Wolf; Webster, Jordan S; Weidberg, Anthony; Weinert, Benjamin; Weingarten, Jens; Weiser, Christian; Weits, Hartger; Wells, Phillippa; Wenaus, Torre; Wengler, Thorsten; Wenig, Siegfried; Wermes, Norbert; Werner, Matthias; Werner, Per; Wessels, Martin; Wetter, Jeffrey; Whalen, Kathleen; Wharton, Andrew Mark; White, Andrew; White, Martin; White, Ryan; White, Sebastian; Whiteson, Daniel; Wickens, Fred; Wiedenmann, Werner; Wielers, Monika; Wienemann, Peter; Wiglesworth, Craig; Wiik-Fuchs, Liv Antje Mari; Wildauer, Andreas; Wilkens, Henric George; Williams, Hugh; Williams, Sarah; Willis, Christopher; Willocq, Stephane; Wilson, Alan; Wilson, John; Wingerter-Seez, Isabelle; Winklmeier, Frank; Winter, Benedict Tobias; Wittgen, Matthias; Wittkowski, Josephine; Wollstadt, Simon Jakob; Wolter, Marcin Wladyslaw; Wolters, Helmut; Wosiek, Barbara; Wotschack, Jorg; Woudstra, Martin; Wozniak, Krzysztof; Wu, Mengqing; Wu, Miles; Wu, Sau Lan; Wu, Xin; Wu, Yusheng; Wyatt, Terry Richard; Wynne, Benjamin; Xella, Stefania; Xu, Da; Xu, Lailin; Yabsley, Bruce; Yacoob, Sahal; Yakabe, Ryota; Yamada, Miho; Yamaguchi, Daiki; Yamaguchi, Yohei; Yamamoto, Akira; Yamamoto, Shimpei; Yamanaka, Takashi; Yamauchi, Katsuya; Yamazaki, Yuji; Yan, Zhen; Yang, Haijun; Yang, Hongtao; Yang, Yi; Yao, Weiming; Yap, Yee Chinn; Yasu, Yoshiji; Yatsenko, Elena; Yau Wong, Kaven Henry; Ye, Jingbo; Ye, Shuwei; Yeletskikh, Ivan; Yen, Andy L; Yildirim, Eda; Yorita, Kohei; Yoshida, Rikutaro; Yoshihara, Keisuke; Young, Charles; Young, Christopher John; Youssef, Saul; Yu, David Ren-Hwa; Yu, Jaehoon; Yu, Jiaming; Yu, Jie; Yuan, Li; Yuen, Stephanie P; Yurkewicz, Adam; Yusuff, Imran; Zabinski, Bartlomiej; Zaidan, Remi; Zaitsev, Alexander; Zalieckas, Justas; Zaman, Aungshuman; Zambito, Stefano; Zanello, Lucia; Zanzi, Daniele; Zeitnitz, Christian; Zeman, Martin; Zemla, Andrzej; Zeng, Jian Cong; Zeng, Qi; Zengel, Keith; Zenin, Oleg; Ženiš, Tibor; Zerwas, Dirk; Zhang, Dongliang; Zhang, Fangzhou; Zhang, Guangyi; Zhang, Huijun; Zhang, Jinlong; Zhang, Lei; Zhang, Ruiqi; Zhang, Xueyao; Zhang, Zhiqing; Zhao, Xiandong; Zhao, Yongke; Zhao, Zhengguo; Zhemchugov, Alexey; Zhong, Jiahang; Zhou, Bing; Zhou, Chen; Zhou, Lei; Zhou, Li; Zhou, Mingliang; Zhou, Ning; Zhu, Cheng Guang; Zhu, Hongbo; Zhu, Junjie; Zhu, Yingchun; Zhuang, Xuai; Zhukov, Konstantin; Zibell, Andre; Zieminska, Daria; Zimine, Nikolai; Zimmermann, Christoph; Zimmermann, Stephanie; Zinonos, Zinonas; Zinser, Markus; Ziolkowski, Michael; Živković, Lidija; Zobernig, Georg; Zoccoli, Antonio; zur Nedden, Martin; Zurzolo, Giovanni; Zwalinski, Lukasz

    2016-01-13

    A measurement of the correlations between the polar angles of leptons from the decay of pair-produced $t$ and $\\bar{t}$ quarks in the helicity basis is reported, using proton-proton collision data collected by the ATLAS detector at the LHC. The dataset corresponds to an integrated luminosity of 4.6 fb$^{-1}$ at a center-of-mass energy of $\\sqrt{s}=7$ TeV collected during 2011. Candidate events are selected in the dilepton topology with large missing transverse momentum and at least two jets. The angles $\\theta_1$ and $\\theta_2$ between the charged leptons and the direction of motion of the parent quarks in the $t\\bar{t}$ rest frame are sensitive to the spin information, and the distribution of $\\cos\\theta_1\\cdot\\cos\\theta_2$ is sensitive to the spin correlation between the $t$ and $\\bar{t}$ quarks. The distribution is unfolded to parton level and compared to the next-to-leading order prediction. A good agreement is observed.

  19. The Dirac equation in the algebraic approximation. IX. Matrix Dirac-Hartree-Fock calculations for the HeH and BeH ground states using distributed Gaussian basis sets

    NARCIS (Netherlands)

    Quiney, HM; Glushkov, VN; Wilson, S

    2004-01-01

    Using large component basis sets of distributed s-type Gaussian functions with positions and exponents optimized so as to support Hartree-Fock total energies with an accuracy approaching the sub-muhartree level, Dirac-Hartree-Fock-Coulomb calculations are reported for the ground states of the

  20. What is the best density functional to describe water clusters: evaluation of widely used density functionals with various basis sets for (H2O)n (n = 1-10)

    Czech Academy of Sciences Publication Activity Database

    Li, F.; Wang, L.; Zhao, J.; Xie, J. R. H.; Riley, Kevin Eugene; Chen, Z.

    2011-01-01

    Roč. 130, 2/3 (2011), s. 341-352 ISSN 1432-881X Institutional research plan: CEZ:AV0Z40550506 Keywords : water cluster * density functional theory * MP2 . CCSD(T) * basis set * relative energies Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.162, year: 2011

  1. Polarized atomic orbitals for linear scaling methods

    Science.gov (United States)

    Berghold, Gerd; Parrinello, Michele; Hutter, Jürg

    2002-02-01

    We present a modified version of the polarized atomic orbital (PAO) method [M. S. Lee and M. Head-Gordon, J. Chem. Phys. 107, 9085 (1997)] to construct minimal basis sets optimized in the molecular environment. The minimal basis set derives its flexibility from the fact that it is formed as a linear combination of a larger set of atomic orbitals. This approach significantly reduces the number of independent variables to be determined during a calculation, while retaining most of the essential chemistry resulting from the admixture of higher angular momentum functions. Furthermore, we combine the PAO method with linear scaling algorithms. We use the Chebyshev polynomial expansion method, the conjugate gradient density matrix search, and the canonical purification of the density matrix. The combined scheme overcomes one of the major drawbacks of standard approaches for large nonorthogonal basis sets, namely numerical instabilities resulting from ill-conditioned overlap matrices. We find that the condition number of the PAO overlap matrix is independent from the condition number of the underlying extended basis set, and consequently no numerical instabilities are encountered. Various applications are shown to confirm this conclusion and to compare the performance of the PAO method with extended basis-set calculations.

  2. On the property of being a basis for a denumerable set of solutions of a nonlinear Schroedinger-type boundary-value problem

    International Nuclear Information System (INIS)

    Zhidkov, P.E.

    1998-01-01

    We consider the problem u''=f(u 2 )u (0 2 ) (for r→∞) = -∞. It is known that this problem possesses a sequence of solutions {u n } n=0,1,2... such that the nth solution u x (x) has precisely n roots in the interval (0,1). We prove the existence of a constant s 0 0 , an arbitrary above-described sequence of solutions of our problem is a basis of the space H s (0, 1)

  3. Correction of MR image distortions induced by metallic objects using a 3D cubic B-spline basis set: application to stereotactic surgical planning.

    Science.gov (United States)

    Skare, S; Andersson, J L R

    2005-07-01

    Metallic implants in MRI cause spin-echo (SE) images to be distorted in the slice and frequency-encoding directions. Chang and Fitzpatrick (IEEE Trans Med Imaging 1992;11:319-329) proposed a distortion correction method (termed the CF method) based on the magnitude images from two SE acquisitions that differ only in the polarity of the frequency-encoding and slice-selection gradients. In the present study we solved some problems with the CF method, primarily by modeling the field inhomogeneities as a single 3D displacement field built by 3D cubic B-splines. The 3D displacement field was applied in the actual distortion direction in the slice/frequency-encoding plane. To account for patient head motion, a 3D rigid body motion correction was also incorporated in the model. Experiments on a phantom containing an aneurysm clip showed that the knot spacing between the B-splines is a very important factor in both the final image quality and the processing speed. Depending on the knot spacing and the image volume size, the number of unknowns range from a few thousands to over 100,000, leading to processing times ranging from minutes to days. Optimal knot spacing, a means of increasing the processing speed, and other parameters are investigated and discussed.

  4. ADVANCED PROCEDURE FOR THE MONITORING OF SETTLEMENT AND OPEN SPACE DEVELOPMENT ON BASIS OF TOPOGRAPHICAL GEODATA SETS IN THE IOER-MONITOR

    Directory of Open Access Journals (Sweden)

    G. Meinel

    2012-08-01

    Full Text Available Concept, Procedures and Results of the Monitor of settlement and open space development are presented. The monitoring system will describe the state and the development of land use especially in regard to its sustainability for the entire Federal Republic of Germany. To this end, for the first time ever it makes use of topographical geobasis data (digital landscape model of the Authoritative Topographic-Cartographic Information System, short ATKIS. These data allow for a more precise spatial and contentwise description of land use than that of the land register data, which serve as the basis for the official land use statistics. On the basis of the geobasis data an automatic calculation of indicators from the fields of settlement, open space, nature reserves, population, traffic occurs and landscape fragmentation. The indicators are depicted in thematic maps, thus allowing for spatial and chronological comparisons. In addition to administrative spatial units (federal state, region, district, municipality, the indicator values are also presented in scales of various cell widths. For calculating building-based settlement indicators, the patented program SEMENTA® is used, which is based on an automated evaluation of analogue maps.

  5. Structural basis of human PR/SET domain 9 (PRDM9) allele C-specific recognition of its cognate DNA sequence.

    Science.gov (United States)

    Patel, Anamika; Zhang, Xing; Blumenthal, Robert M; Cheng, Xiaodong

    2017-09-29

    PRDM9 is the only mammalian gene that has been associated with speciation. The PR/SET domain 9 (PRDM9) protein is a major determinant of meiotic recombination hot spots and acts through sequence-specific DNA binding via its C2H2 zinc finger (ZF) tandem array, which is highly polymorphic within and between species. The most common human variant, PRDM9 allele A (PRDM9a), contains 13 fingers (ZF1-13). Allele C (PRDM9c) is the second-most common among African populations and differs from PRDM9a by an arginine-to-serine change (R764S) in ZF9 and by replacement of ZF11 with two other fingers, yielding 14 fingers in PRDM9c. Here we co-crystallized the six-finger fragment ZF8-13 of PRDM9c, in complex with an oligonucleotide representing a known PRDM9c-specific hot spot sequence, and compared the structure with that of a characterized PRDM9a-specific complex. There are three major differences. First, Ser 764 in ZF9 allows PRDM9c to accommodate a variable base, whereas PRDM9a Arg 764 recognizes a conserved guanine. Second, the two-finger expansion of ZF11 allows PRDM9c to recognize three-base-pair-longer sequences. A tryptophan in the additional ZF interacts with a conserved thymine methyl group. Third, an Arg-Asp dipeptide immediately preceding the ZF helix, conserved in two PRDM9a fingers and three PRDM9c fingers, permits adaptability to variations from a C:G base pair (G-Arg interaction) to a G:C base pair (C-Asp interaction). This Arg-Asp conformational switch allows identical ZF modules to recognize different sequences. Our findings illuminate the molecular mechanisms for flexible and conserved binding of human PRDM9 alleles to their cognate DNA sequences. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  6. Molecular structure, FT IR, NMR, UV, NBO and HOMO-LUMO of 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile by DFT/B3LYP and PBEPBE methods with LanL2DZ and 6-311++G(d,2p) basis sets.

    Science.gov (United States)

    Khajehzadeh, Mostafa; Moghadam, Majid

    2017-06-05

    Structural and molecular properties of antidepressants 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile were examined using quantum mechanics of Density Functional Theory (DFT)/B3LYP and PBEPBE methods with 6-311++G(d,2p) and LanL2DZ basis sets to study the therapeutic properties of the drug. For this, the structure of desired material was optimized by the computer calculation method and with the use of powerful Gaussian 09 software. Then the lowest energy value and the bond length, bond angle and dihedral angle between its constituent atoms in the crystal structure of the desired material were measured from the optimized values. Then the amount of positive and negative charges, polarizability and dipole moment of its atoms using Mulliken charge and Natural atomic charges, DFT/B3LYP and PBEPBE methods with 6-311++G(d,2p) and LanL2DZ basis sets were determined and the results were compared with each other for individual atoms and by mentioned methods. Also the type of stretching vibrations and bending vibrations between the constituent atoms of the molecule were specified using mentioned computational methods and FT IR vibrational spectra. The experimental spectrum of this material was taken to determine the functional groups and the computational and experimental values were compared to each other and Nuclear Magnetic Resonance (NMR) was used to specify the isomer shift between the carbons and protons in the presence of polar and nonpolar solvents. Also Natural Bond Orbital (NBO) was used to determine the type of electron transfers in σ→σ∗ and π→π∗ and LP(1)→σ∗ and LP(2)→σ∗ and the amount of hardness and softness in molecule was determined using the difference between ionization energy and electron affinity energy in constituent atoms of that molecule in the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) and in the presence of solvents H 2 O, CH 3 CN and C 6 H 12

  7. Polarization developments

    International Nuclear Information System (INIS)

    Prescott, C.Y.

    1993-07-01

    Recent developments in laser-driven photoemission sources of polarized electrons have made prospects for highly polarized electron beams in a future linear collider very promising. This talk discusses the experiences with the SLC polarized electron source, the recent progress with research into gallium arsenide and strained gallium arsenide as a photocathode material, and the suitability of these cathode materials for a future linear collider based on the parameters of the several linear collider designs that exist

  8. RHIC Polarized proton operation

    International Nuclear Information System (INIS)

    Huang, H.; Ahrens, L.; Alekseev, I.G.; Aschenauer, E.; Atoian, G.; Bai, M.; Bazilevsky, A.; Blaskiewicz, M.; Brennan, J.M.; Brown, K.A.; Bruno, D.; Connolly, R.; Dion, A.; D'Ottavio, T.; Drees, K.A.; Fischer, W.; Gardner, C.; Glenn, J.W.; Gu, X.; Harvey, M.; Hayes, T.; Hoff, L.; Hulsart, R.L.; Laster, J.; Liu, C.; Luo, Y.; MacKay, W.W.; Makdisi, Y.; Marr, G.J.; Marusic, A.; Meot, F.; Mernick, K.; Michnoff, R.; Minty, M.; Montag, C.; Morris, J.; Nemesure, S.; Poblaguev, A.; Ptitsyn, V.; Ranjibar, V.; Robert-Demolaize, G.; Roser, T.; Schmidke, B.; Schoefer, V.; Severino, F.; Smirnov, D.; Smith, K.; Steski, D.; Svirida, D.; Tepikian, S.; Trbojevic, D.; Tsoupas, N.; Tuozzolo, J.E.; Wang, G.; Wilinski, M.; Yip, K.; Zaltsman, A.; Zelenski, A.; Zeno, K.; Zhang, S.Y.

    2011-01-01

    The Relativistic Heavy Ion Collider (RHIC) operation as the polarized proton collider presents unique challenges since both luminosity(L) and spin polarization(P) are important. With longitudinally polarized beams at the experiments, the figure of merit is LP 4 . A lot of upgrades and modifications have been made since last polarized proton operation. A 9 MHz rf system is installed to improve longitudinal match at injection and to increase luminosity. The beam dump was upgraded to increase bunch intensity. A vertical survey of RHIC was performed before the run to get better magnet alignment. The orbit control is also improved this year. Additional efforts are put in to improve source polarization and AGS polarization transfer efficiency. To preserve polarization on the ramp, a new working point is chosen such that the vertical tune is near a third order resonance. The overview of the changes and the operation results are presented in this paper. Siberian snakes are essential tools to preserve polarization when accelerating polarized beams to higher energy. At the same time, the higher order resonances still can cause polarization loss. As seen in RHIC, the betatron tune has to be carefully set and maintained on the ramp and during the store to avoid polarization loss. In addition, the orbit control is also critical to preserve polarization. The higher polarization during this run comes from several improvements over last run. First we have a much better orbit on the ramp. The orbit feedback brings down the vertical rms orbit error to 0.1mm, much better than the 0.5mm last run. With correct BPM offset and vertical realignment, this rms orbit error is indeed small. Second, the jump quads in the AGS improved input polarization for RHIC. Third, the vertical tune was pushed further away from 7/10 snake resonance. The tune feedback maintained the tune at the desired value through the ramp. To calibrate the analyzing power of RHIC polarimeters at any energy above

  9. RHIC Polarized proton operation

    Energy Technology Data Exchange (ETDEWEB)

    Huang, H.; Ahrens, L.; Alekseev, I.G.; Aschenauer, E.; Atoian, G.; Bai, M.; Bazilevsky, A.; Blaskiewicz, M.; Brennan, J.M.; Brown, K.A.; Bruno, D.; Connolly, R.; Dion, A.; D' Ottavio, T.; Drees, K.A.; Fischer, W.; Gardner, C.; Glenn, J.W.; Gu, X.; Harvey, M.; Hayes, T.; Hoff, L.; Hulsart, R.L.; Laster, J.; Liu, C.; Luo, Y.; MacKay, W.W.; Makdisi, Y.; Marr, G.J.; Marusic, A.; Meot, F.; Mernick, K.; Michnoff, R,; Minty, M.; Montag, C.; Morris, J.; Nemesure, S.; Poblaguev, A.; Ptitsyn, V.; Ranjibar, V.; Robert-Demolaize, G.; Roser, T.; J.; Severino, F.; Schmidke, B.; Schoefer, V.; Severino, F.; Smirnov, D.; Smith, K.; Steski, D.; Svirida, D.; Tepikian, S.; Trbojevic, D.; Tsoupas, N.; Tuozzolo, J. Wang, G.; Wilinski, M.; Yip, K.; Zaltsman, A.; Zelenski, A.; Zeno, K.; Zhang, S.Y.

    2011-03-28

    The Relativistic Heavy Ion Collider (RHIC) operation as the polarized proton collider presents unique challenges since both luminosity(L) and spin polarization(P) are important. With longitudinally polarized beams at the experiments, the figure of merit is LP{sup 4}. A lot of upgrades and modifications have been made since last polarized proton operation. A 9 MHz rf system is installed to improve longitudinal match at injection and to increase luminosity. The beam dump was upgraded to increase bunch intensity. A vertical survey of RHIC was performed before the run to get better magnet alignment. The orbit control is also improved this year. Additional efforts are put in to improve source polarization and AGS polarization transfer efficiency. To preserve polarization on the ramp, a new working point is chosen such that the vertical tune is near a third order resonance. The overview of the changes and the operation results are presented in this paper. Siberian snakes are essential tools to preserve polarization when accelerating polarized beams to higher energy. At the same time, the higher order resonances still can cause polarization loss. As seen in RHIC, the betatron tune has to be carefully set and maintained on the ramp and during the store to avoid polarization loss. In addition, the orbit control is also critical to preserve polarization. The higher polarization during this run comes from several improvements over last run. First we have a much better orbit on the ramp. The orbit feedback brings down the vertical rms orbit error to 0.1mm, much better than the 0.5mm last run. With correct BPM offset and vertical realignment, this rms orbit error is indeed small. Second, the jump quads in the AGS improved input polarization for RHIC. Third, the vertical tune was pushed further away from 7/10 snake resonance. The tune feedback maintained the tune at the desired value through the ramp. To calibrate the analyzing power of RHIC polarimeters at any energy above

  10. Polarization at the SLC

    Energy Technology Data Exchange (ETDEWEB)

    Moffeit, K.C.

    1988-10-01

    The Stanford Linear collider was designed to accommodate polarized electron beams. Longitudinally polarized electrons colliding with unpolarized positrons at a center of mass energy near the Z/sup 0/ mass can be used as novel and sensitive probes of the electroweak process. A gallium arsenide based photon emission source will provide a beam of longitudinally polarized electrons of about 45 percent polarization. A system of bend magnets and a superconducting solenoid will be used to rotate the spins so that the polarization is preserved while the 1.21 GeV electrons are stored in the damping ring. Another set of bend magnets and two superconducting solenoids orient the spin vectors so that longitudinal polarization of the electrons is achieved at the collision point with the unpolarized positrons. A system to monitor the polarization based on Moller and Compton scattering will be used. Nearly all major components have been fabricated and tested. Subsystems of the source and polarimeters have been installed, and studies are in progress. The installation and commissioning of the entire system will take place during available machine shutdown periods as the commissioning of SLC progresses. 8 refs., 16 figs., 1 tab.

  11. Polarization, political

    NARCIS (Netherlands)

    Wojcieszak, M.; Mazzoleni, G.; Barnhurst, K.G.; Ikeda, K.; Maia, R.C.M.; Wessler, H.

    2015-01-01

    Polarization has been studied in three different forms: on a social, group, and individual level. This entry first focuses on the undisputed phenomenon of elite polarization (i.e., increasing adherence of policy positions among the elites) and also outlines different approaches to assessing mass

  12. Full CI Benchmark Potentials for the 6e^- System Li_2 with a CBS Extrapolation from aug-cc-pCV5Z and aug-cc-pCV6Z Basis Sets Using Fciqmc and Dmrg

    Science.gov (United States)

    Dattani, Nikesh S.; Sharma, Sandeep; Alavi, Ali

    2016-06-01

    Being the simplest uncharged homonuclear dimer after H_2 that has a stable ground state, Li_2 is one of the most important benchmark systems for theory and experiment. In 1930, Delbruck used Li_2 to test his theory of homopolar binding, and it was used again and again as a prototype to test what have now become some of the most ubiquitous concepts in molecular physics (LCAO, SCF, MO, just to name a few). Experimentally, Roscoe and Schuster studied alkali dimers back in 1874. At the dawn of quantum mechanics, the emerging types of spectroscopic analyses we now use today, were tested on Li_2 in the labs of Wurm (1928), Harvey (1929), Lewis (1931), and many others, independently. Li_2 was at the centre of the development of PFOODR in the 80s, and PAS in the 90s; and Lithium Bose-Einstein condensates were announced only 1 month after the Nobel Prize winning BEC announcement in 1995. Even now in the 2010s, numerous experimental and theoretical studies on Li have tested QED up to the 7th power of the fine structure constant. Li_2 has also been of interest to sub-atomic physicists, as it was spectroscopic measurements on ^7Li_2 that determined the spin of ^7Li to be 3/2 in 1931; and Li_2 has been proposed in 2014 as a candidate for the first ``halo nucleonic molecule". The lowest triplet state a(1^3Σ_u^+) is an excellent benchmark system for all newly emerging ab initio techniques because it has only 6e^-, its potential is only 334 cm-1 deep, it avoids harsh complications from spin-orbit coupling, and it is the deepest potential for which all predicted vibrational energy levels have been observed with 0.0001 cm-1 precision. However the current best ab initio potentials do not even yield all vibrational energy spacings correct to within 1 cm-1. This could be because the calculation was only done on a cc-pV5Z basis set, or because the QCISD(T,full) method that the authors used, only considered triple excitations while a full CI calculation should include up to hexuple

  13. Polar Bears

    Science.gov (United States)

    Amstrup, Steven C.; Douglas, David C.; Reynolds, Patricia E.; Rhode, E.B.

    2002-01-01

    Polar bears (Ursus maritimus) are hunted throughout most of their range. In addition to hunting polar bears of the Beaufort Sea region are exposed to mineral and petroleum extraction and related human activities such as shipping road-building, and seismic testing (Stirling 1990).Little was known at the start of this project about how polar bears move about in their environment, and although it was understood that many bears travel across political borders, the boundaries of populations had not been delineated (Amstrup 1986, Amstrup et al. 1986, Amstrup and DeMaster 1988, Garner et al. 1994, Amstrup 1995, Amstrup et al. 1995, Amstrup 2000).As human populations increase and demands for polar bears and other arctic resources escalate, managers must know the sizes and distributions of the polar bear populations. Resource managers also need reliable estimates of breeding rates, reproductive intervals, litter sizes, and survival of young and adults.Our objectives for this research were 1) to determine the seasonal and annual movements of polar bears in the Beaufort Sea, 2) to define the boundaries of the population(s) using this region, 3) to determine the size and status of the Beaufort Sea polar bear population, and 4) to establish reproduction and survival rates (Amstrup 2000).

  14. Polarized deuteron elastic scattering from a polarized proton target

    International Nuclear Information System (INIS)

    Schmelzer, R.; Kuiper, H.; Schoeberl, M.; Berber, S.; Hilmert, H.; Koeppel, R.; Pferdmenges, R.; Zankel, H.

    1983-01-01

    Measurements are reported of the spin correlation parameter Cy,y for the elastic scattering of 10.0 MeV vector polarized deuterons from a polarized proton target at five CM angles (76 0 ,85 0 ,98 0 ,115 0 ,132 0 ). The experimental results are compared with different predictions. A Faddeev type calculation on the basis of local potentials also including approximate Coulomb distortion is favoured by our experimental results. (orig.)

  15. General description of transverse mode Bessel beams and construction of basis Bessel fields

    Science.gov (United States)

    Wang, Jia Jie; Wriedt, Thomas; Lock, James A.; Jiao, Yong Chang

    2017-07-01

    Based on an analysis of polarized Bessel beams using the Hertz vector potentials and the angular spectrum representation (ASR), a general description of transverse mode Bessel beams is proposed. As opposed to the cases of linearly and circularly polarized Bessel beams, the magnetic and electric fields of a Bessel beam in a transverse mode are orthogonal to each other. Both sets of fields together form a complete set of basis Bessel fields, in terms of which an arbitrary Bessel beam can be regarded as a linear combination. The completeness of the basis Bessel fields is analyzed from the perspectives of waveguide theory and vector wave functions. Decompositions of linearly polarized, circularly polarized, and circularly symmetric n-order Bessel beams in terms of basis Bessel fields are given. The results presented in this paper provide a fresh perspective on the description of Bessel beams, which are useful in casting insights into the experimental generation of Bessel beams and the interpretation of light scattering-related problems in practice.

  16. Polar source analysis : technical memorandum

    Science.gov (United States)

    2017-09-29

    The following technical memorandum describes the development, testing and analysis of various polar source data sets. The memorandum also includes recommendation for potential inclusion in future releases of AEDT. This memorandum is the final deliver...

  17. Polarimetry with azimuthally polarized light

    Science.gov (United States)

    de Sande, Juan Carlos González; Piquero, Gemma; Santarsiero, Massimo

    2018-03-01

    Nonuniformly polarized light can be used for Mueller polarimetry of homogeneous linear samples. In this work, a set up based on using azimuthally polarized input light and a modified commercial light polarimeter is proposed and developed. With this set up, a Mueller submatrix of a sample can be obtained by measuring the Stokes parameters at only three different positions across the output beam section. Symmetry constraints for linear deterministic samples allow the complete Mueller matrix to be deduced for this kind of specimens. The experimental results obtained for phase plates and for a linear polarizer confirm the validity of the proposed method.

  18. Partial Polarization in Interfered Plasmon Fields

    Directory of Open Access Journals (Sweden)

    P. Martínez Vara

    2014-01-01

    Full Text Available We describe the polarization features for plasmon fields generated by the interference between two elemental surface plasmon modes, obtaining a set of Stokes parameters which allows establishing a parallelism with the traditional polarization model. With the analysis presented, we find the corresponding coherence matrix for plasmon fields incorporating to the plasmon optics the study of partial polarization effects.

  19. Concurrent validation of the Actigraph gt3x+, Polar Active accelerometer, Omron HJ-720 and Yamax Digiwalker SW-701 pedometer step counts in lab-based and free-living settings.

    Science.gov (United States)

    Lee, Joey A; Williams, Skip M; Brown, Dale D; Laurson, Kelly R

    2015-01-01

    Activity monitors are frequently used to assess activity in many settings. But as technology advances, so do the mechanisms used to estimate activity causing a continuous need to validate newly developed monitors. The purpose of this study was to examine the step count validity of the Yamax Digiwalker SW-701 pedometer (YX), Omron HJ-720 T pedometer (OP), Polar Active accelerometer (PAC) and Actigraph gt3x+ accelerometer (AG) under controlled and free-living conditions. Participants completed five stages of treadmill walking (n = 43) and a subset of these completed a 3-day free-living wear period (n = 37). Manually counted (MC) steps provided a criterion measure for treadmill walking, whereas the comparative measure during free-living was the YX. During treadmill walking, the OP was the most accurate monitor across all speeds (±1.1% of MC steps), while the PAC underestimated steps by 6.7-16.0% per stage. During free-living, the OP and AG counted 97.5% and 98.5% of YX steps, respectively. The PAC overestimated steps by 44.0%, or 5,265 steps per day. The Omron pedometer seems to provide the most reliable and valid estimate of steps taken, as it was the best performer under lab-based conditions and provided comparable results to the YX in free-living. Future studies should consider these monitors in additional populations and settings.

  20. Political polarization

    OpenAIRE

    Dixit, Avinash K.; Weibull, Jörgen W.

    2007-01-01

    Failures of government policies often provoke opposite reactions from citizens; some call for a reversal of the policy, whereas others favor its continuation in stronger form. We offer an explanation of such polarization, based on a natural bimodality of preferences in political and economic contexts and consistent with Bayesian rationality.

  1. Political polarization.

    Science.gov (United States)

    Dixit, Avinash K; Weibull, Jörgen W

    2007-05-01

    Failures of government policies often provoke opposite reactions from citizens; some call for a reversal of the policy, whereas others favor its continuation in stronger form. We offer an explanation of such polarization, based on a natural bimodality of preferences in political and economic contexts and consistent with Bayesian rationality.

  2. Political Polarization and the Size of Government

    OpenAIRE

    Lindqvist, Erik; Östling, Robert

    2008-01-01

    We study the effect of political polarization on government spending and redistribution using the dispersion of self-reported political preferences as our measure of polarization. Politically polarized countries have lower levels of redistribution and government consumption. The relationship between political polarization and the size of government is stronger in democratic countries, indicating that the effect goes through the political system. The results are robust to a large set of contro...

  3. Disputing Viking navigation by polarized skylight.

    Science.gov (United States)

    Roslund, C; Beckman, C

    1994-07-20

    The widely held notion that the Vikings utilized polarization of skylight on overcast days for navigational purposes is demonstrated to have no scientific basis. The use of polarized skylight for navigation under partly cloudfree skies should be treated with caution and skepticism.

  4. Hyperon polarization: An experimental overview

    International Nuclear Information System (INIS)

    Lach, J.

    1992-12-01

    The fact that inclusively produced hyperons are produced with significant polarization was first discovered at Fermilab about seventeen years ago. This and subsequent experiments showed that Λ degree were produced polarized while bar Λ degree had no polarization in the same kinematical region. This set the stage for many experiments which showed that most hyperons are produced polarized. Recent Fermilab experiments have showed that this phenomena is even more complex than previously thought and theoretical understanding is still lacking. Nevertheless polarized hyperon beams have been an extremely useful experimental tool in measuring hyperon magnetic moments and hyperon β-decay. Recently, hyperon radiative decays have been studied and magnetic moment precession of channeled particles in bent crystals has been observed

  5. Nuclear physics with polarized particles

    CERN Document Server

    Paetz gen Schieck, Hans

    2012-01-01

    The measurement of spin-polarization observables in reactions of nuclei and particles is of great utility and advantage when the effects of single-spin sub-states are to be investigated. Indeed, the unpolarized differential cross-section encompasses the averaging over the spin states of the particles, and thus loses details of the interaction process. This introductory text combines, in a single volume, course-based lecture notes on spin physics and on polarized-ion sources with the aim of providing a concise yet self-contained starting point for newcomers to the field, as well as for lecturers in search of suitable material for their courses and seminars. A significant part of the book is devoted to introducing the formal theory-a description of polarization and of nuclear reactions with polarized particles. The remainder of the text describes the physical basis of methods and devices necessary to perform experiments with polarized particles and to measure polarization and polarization effects in nuclear rea...

  6. Coherent states with elliptical polarization

    OpenAIRE

    Colavita, E.; Hacyan, S.

    2004-01-01

    Coherent states of the two dimensional harmonic oscillator are constructed as superpositions of energy and angular momentum eigenstates. It is shown that these states are Gaussian wave-packets moving along a classical trajectory, with a well defined elliptical polarization. They are coherent correlated states with respect to the usual cartesian position and momentum operators. A set of creation and annihilation operators is defined in polar coordinates, and it is shown that these same states ...

  7. Constraining a hybrid volatility basis-set model for aging of wood-burning emissions using smog chamber experiments: a box-model study based on the VBS scheme of the CAMx model (v5.40)

    Science.gov (United States)

    Ciarelli, Giancarlo; El Haddad, Imad; Bruns, Emily; Aksoyoglu, Sebnem; Möhler, Ottmar; Baltensperger, Urs; Prévôt, André S. H.

    2017-06-01

    In this study, novel wood combustion aging experiments performed at different temperatures (263 and 288 K) in a ˜ 7 m3 smog chamber were modelled using a hybrid volatility basis set (VBS) box model, representing the emission partitioning and their oxidation against OH. We combine aerosol-chemistry box-model simulations with unprecedented measurements of non-traditional volatile organic compounds (NTVOCs) from a high-resolution proton transfer reaction mass spectrometer (PTR-MS) and with organic aerosol measurements from an aerosol mass spectrometer (AMS). Due to this, we are able to observationally constrain the amounts of different NTVOC aerosol precursors (in the model) relative to low volatility and semi-volatile primary organic material (OMsv), which is partitioned based on current published volatility distribution data. By comparing the NTVOC / OMsv ratios at different temperatures, we determine the enthalpies of vaporization of primary biomass-burning organic aerosols. Further, the developed model allows for evaluating the evolution of oxidation products of the semi-volatile and volatile precursors with aging. More than 30 000 box-model simulations were performed to retrieve the combination of parameters that best fit the observed organic aerosol mass and O : C ratios. The parameters investigated include the NTVOC reaction rates and yields as well as enthalpies of vaporization and the O : C of secondary organic aerosol surrogates. Our results suggest an average ratio of NTVOCs to the sum of non-volatile and semi-volatile organic compounds of ˜ 4.75. The mass yields of these compounds determined for a wide range of atmospherically relevant temperatures and organic aerosol (OA) concentrations were predicted to vary between 8 and 30 % after 5 h of continuous aging. Based on the reaction scheme used, reaction rates of the NTVOC mixture range from 3.0 × 10-11 to 4. 0 × 10-11 cm3 molec-1 s-1. The average enthalpy of vaporization of secondary organic aerosol

  8. Virtual endoscopy of the upper urinary tract based on contrast material-enhanced MR urography data sets; Virtuelle Endoskopie des oberen Harntraktes auf der Basis kontrastangehobener MR-Urographie Datensaetze

    Energy Technology Data Exchange (ETDEWEB)

    Nolte-Ernsting, C.C.A.; Krombach, G.; Staatz, G.; Kilbinger, M.; Adam, G.B.; Guenther, R.W. [RWTH Aachen (Germany). Klinik fuer Radiologische Diagnostik

    1999-06-01

    Purpose: To investigate the feasibility of reconstructing a virtual endoscopy from MR imaging data sets of the upper urinary tract. Method: The data obtained from 28 contrast-enhanced MR urographic examinations (5 normal; 23 pathologic) were post-processed to reconstruct a virtual ureterorenoscopy (VURS) using a threshold image segmentation. The visualization of the upper urinary tract was based on the acquisition of T{sub 1}-weighted 3D gradient-echo sequences after intravenous administration of gadolinium-DTPA and a prior injection of low-dose furosemide. Results: The employed MR urography technique created in all 28 cases a complete and strong contrast enhancement of the urinary tract. These 3D sequence data allowed the reconstruction of a VURS, even when the collecting system was not dilated. The best accuracy was provided by the MR urography sequences with the smallest voxel size. Moreover, the data acquisition based on a breath-hold technique has proved superior to that using a respiratory gating. Inside the renal pelvis, all calices could be assessed by turning the virtual endoscope in the appropriate direction. The visualization of the ureteral orifices in the bladder was also possible. All filling defects that were diagnosed by MR urography could be evaluated from the endoluminal view using the VURS. The exact characterization of the lesions based only on the assessment of the surface structure was difficult. Conclusion: A virtual endoscopy of the upper urinary tract can be successfully reconstructed using the data sets of high-resolution 3D MR urography sequences. (orig.) [Deutsch] Ziel: Untersuchungen zur Anwendung der virtuellen Endoskopie auf MR-tomographische Datensaetze des oberen Harntraktes. Methoden: Die Daten von 28 kontrastangehobenen MR-Urographien (5 normal; 23 pathologisch) wurden zur Erstellung einer virtuellen Ureterorenoskopie (VURS) mittels Schwellenwert-Bildsegmentierung nachverarbeitet. Als Grundlage fuer die Darstellung des Harntraktes

  9. Strategic Polarization.

    Science.gov (United States)

    Kalai, Adam; Kalai, Ehud

    2001-08-01

    In joint decision making, similarly minded people may take opposite positions. Consider the example of a marriage in which one spouse gives generously to charity while the other donates nothing. Such "polarization" may misrepresent what is, in actuality, a small discrepancy in preferences. It may be that the donating spouse would like to see 10% of their combined income go to charity each year, while the apparently frugal spouse would like to see 8% donated. A simple game-theoretic analysis suggests that the spouses will end up donating 10% and 0%, respectively. By generalizing this argument to a larger class of games, we provide strategic justification for polarization in many situations such as debates, shared living accommodations, and disciplining children. In some of these examples, an arbitrarily small disagreement in preferences leads to an arbitrarily large loss in utility for all participants. Such small disagreements may also destabilize what, from game-theoretic point of view, is a very stable equilibrium. Copyright 2001 Academic Press.

  10. Nonlinear Gyrokinetic Theory With Polarization Drift

    International Nuclear Information System (INIS)

    Wang, L.; Hahm, T.S.

    2010-01-01

    A set of the electrostatic toroidal gyrokinetic Vlasov equation and the Poisson equation, which explicitly includes the polarization drift, is derived systematically by using Lie-transform method. The polarization drift is introduced in the gyrocenter equations of motion, and the corresponding polarization density is derived. Contrary to the wide-spread expectation, the inclusion of the polarization drift in the gyrocenter equations of motion does not affect the expression for the polarization density significantly. This is due to modification of the gyrocenter phase-space volume caused by the electrostatic potential [T. S. Hahm, Phys. Plasmas 3, 4658 (1996)].

  11. Update of the Polar SWIFT model for polar stratospheric ozone loss (Polar SWIFT version 2)

    Science.gov (United States)

    Wohltmann, Ingo; Lehmann, Ralph; Rex, Markus

    2017-07-01

    The Polar SWIFT model is a fast scheme for calculating the chemistry of stratospheric ozone depletion in polar winter. It is intended for use in global climate models (GCMs) and Earth system models (ESMs) to enable the simulation of mutual interactions between the ozone layer and climate. To date, climate models often use prescribed ozone fields, since a full stratospheric chemistry scheme is computationally very expensive. Polar SWIFT is based on a set of coupled differential equations, which simulate the polar vortex-averaged mixing ratios of the key species involved in polar ozone depletion on a given vertical level. These species are O3, chemically active chlorine (ClOx), HCl, ClONO2 and HNO3. The only external input parameters that drive the model are the fraction of the polar vortex in sunlight and the fraction of the polar vortex below the temperatures necessary for the formation of polar stratospheric clouds. Here, we present an update of the Polar SWIFT model introducing several improvements over the original model formulation. In particular, the model is now trained on vortex-averaged reaction rates of the ATLAS Chemistry and Transport Model, which enables a detailed look at individual processes and an independent validation of the different parameterizations contained in the differential equations. The training of the original Polar SWIFT model was based on fitting complete model runs to satellite observations and did not allow for this. A revised formulation of the system of differential equations is developed, which closely fits vortex-averaged reaction rates from ATLAS that represent the main chemical processes influencing ozone. In addition, a parameterization for the HNO3 change by denitrification is included. The rates of change of the concentrations of the chemical species of the Polar SWIFT model are purely chemical rates of change in the new version, whereas in the original Polar SWIFT model, they included a transport effect caused by the

  12. Precessing deuteron polarization

    International Nuclear Information System (INIS)

    Sitnik, I.M.; Volkov, V.I.; Kirillov, D.A.; Piskunov, N.M.; Plis, Yu.A.

    2002-01-01

    The feasibility of the acceleration in the Nuclotron of deuterons polarized in the horizontal plane is considered. This horizontal polarization is named precessing polarization. The effects of the main magnetic field and synchrotron oscillations are included. The precessing polarization is supposed to be used in studying the polarization parameters of the elastic dp back-scattering and other experiments

  13. Polare maskuliniteter

    Directory of Open Access Journals (Sweden)

    Marit Anne Hauan

    2012-05-01

    Full Text Available In this paper my aim is to read and understand the journal of Gerrit de Veer from the last journey of William Barents to the Arctic Regions in 1596 and the journal of captain Junge on his hunting trip from Tromsø to Svalbard in 1834.It is nearly 240 years between this to voyages. The first journal is known as the earliest report from the arctic era. Gerrit de Veer adds instructive copper engravings to his text and give us insight in the crews meeting with this new land. Captain Junges journal is found together with his dead crew in a house in a fjord nearby Ny-Ålesund and has no drawings, but word. Both of these journals may be read as sources of the knowledge and understanding of the polar region. They might also unveil the ideas of how to deal with and survive under the challenges that is given. In addition one can ask if the sources can tell us more about how men describe their challenges. Can the way they expressed themselves in the journals give us an understanding of masculinity? And not least help us to create good questions of the change in the ideas of masculinities which is said to follow the change in understanding of the wilderness.

  14. Geomagnetic polarity transitions

    Science.gov (United States)

    Merrill, Ronald T.; McFadden, Phillip L.

    1999-05-01

    The top of Earth's liquid outer core is nearly 2900 km beneath Earth's surface, so we will never be able to observe it directly. This hot, dense, molten iron-rich body is continuously in motion and is the source of Earth's magnetic field. One of the most dynamic manifestations at Earth's surface of this fluid body is, perhaps, a reversal of the geomagnetic field. Unfortunately, the most recent polarity transition occurred at about 780 ka, so we have never observed a transition directly. It seems that a polarity transition spans many human lifetimes, so no human will ever witness the phenomenon in its entirety. Thus we are left with the tantalizing prospect that paleomagnetic records of polarity transitions may betray some of the secrets of the deep Earth. Certainly, if there are systematics in the reversal process and they can be documented, then this will reveal substantial information about the nature of the lowermost mantle and of the outer core. Despite their slowness on a human timescale, polarity transitions occur almost instantaneously on a geological timescale. This rapidity, together with limitations in the paleomagnetic recording process, prohibits a comprehensive description of any reversal transition both now and into the foreseeable future, which limits the questions that may at this stage be sensibly asked. The natural model for the geomagnetic field is a set of spherical harmonic components, and we are not able to obtain a reliable model for even the first few harmonic terms during a transition. Nevertheless, it is possible, in principle, to make statements about the harmonic character of a geomagnetic polarity transition without having a rigorous spherical harmonic description of one. For example, harmonic descriptions of recent geomagnetic polarity transitions that are purely zonal can be ruled out (a zonal harmonic does not change along a line of latitude). Gleaning information about transitions has proven to be difficult, but it does seem

  15. Influence of basis-set size on the X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B Σ 1 /2 +2 potential-energy curves, A Π 3 /2 2 vibrational energies, and D1 and D2 line shapes of Rb+He

    Science.gov (United States)

    Blank, L. Aaron; Sharma, Amit R.; Weeks, David E.

    2018-03-01

    The X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B2Σ1/2 + potential-energy curves for Rb+He are computed at the spin-orbit multireference configuration interaction level of theory using a hierarchy of Gaussian basis sets at the double-zeta (DZ), triple-zeta (TZ), and quadruple-zeta (QZ) levels of valence quality. Counterpoise and Davidson-Silver corrections are employed to remove basis-set superposition error and ameliorate size-consistency error. An extrapolation is performed to obtain a final set of potential-energy curves in the complete basis-set (CBS) limit. This yields four sets of systematically improved X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B2Σ1/2 + potential-energy curves that are used to compute the A Π 3 /2 2 bound vibrational energies, the position of the D2 blue satellite peak, and the D1 and D2 pressure broadening and shifting coefficients, at the DZ, TZ, QZ, and CBS levels. Results are compared with previous calculations and experimental observation.

  16. CMB polarization at large angular scales: Data analysis of the POLAR experiment

    International Nuclear Information System (INIS)

    O'Dell, Christopher W.; Keating, Brian G.; Oliveira-Costa, Angelica de; Tegmark, Max; Timbie, Peter T.

    2003-01-01

    The coming flood of cosmic microwave background (CMB) polarization experiments, spurred by the recent detection of CMB polarization by the DASI and WMAP instruments, will be confronted by many new analysis tasks specific to polarization. For the analysis of CMB polarization data sets, the devil is truly in the details. With this in mind, we present details of the data analysis for the POLAR experiment, which recently led to the tightest upper limits on the polarization of the cosmic microwave background radiation at large angular scales. We discuss the data selection process, map-making algorithms, offset removal, and likelihood analysis which were used to find upper limits on the polarization. Stated using the modern convention for reporting CMB Stokes parameters, these limits are 5.0 μK on both E- and B-type polarization at 95% confidence. Finally, we discuss simulations used to test our analysis techniques and to probe the fundamental limitations of the experiment

  17. The First Polarization Maps from the GMRT

    Indian Academy of Sciences (India)

    2016-01-27

    Jan 27, 2016 ... We present the first set of polarimetric images made with the GMRT. We find that the instrumental polarization leakage at the GMRT varies with frequency. It is possible to calibrate these terms to better than 1% accuracy, making it feasible to study sources that are polarized at the few per cent level.

  18. Vector meson production from a polarized nucleon

    International Nuclear Information System (INIS)

    Diehl, M.

    2007-04-01

    We provide a framework to analyze the electroproduction process ep→epρ with a polarized target, writing the angular distribution of the ρ decay products in terms of spin density matrix elements that parameterize the hadronic subprocess γ * p → ρp. Using the helicity basis for both photon and meson, we find a representation in which the expressions for a polarized and unpolarized target are related by simple substitution rules. (orig.)

  19. Polarized electron sources

    Energy Technology Data Exchange (ETDEWEB)

    Prepost, R. [Univ. of Wisconsin, Madison, WI (United States)

    1994-12-01

    The fundamentals of polarized electron sources are described with particular application to the Stanford Linear Accelerator Center. The SLAC polarized electron source is based on the principle of polarized photoemission from Gallium Arsenide. Recent developments using epitaxially grown, strained Gallium Arsenide cathodes have made it possible to obtain electron polarization significantly in excess of the conventional 50% polarization limit. The basic principles for Gallium and Arsenide polarized photoemitters are reviewed, and the extension of the basic technique to strained cathode structures is described. Results from laboratory measurements of strained photocathodes as well as operational results from the SLAC polarized source are presented.

  20. Emission polarization study on quartz and calcite.

    Science.gov (United States)

    Vincent, R. K.

    1972-01-01

    Calculation of the spectral emission polarization of quartz and calcite polished plates for observation angles of 20 and 70 deg by the substitution of complex index of refraction values for each mineral into Fresnel's equations. The emission polarization is shown to be quite wavelength-dependent, demonstrating that selected narrow or medium-width spectral bands exhibit a significantly higher percentage of polarization than a broad spectral band for these two minerals. Field measurements with a broadband infrared radiometer yield polarizations on the order of 2% for a coarse-grained granite rock and beach sand (both quartz-rich). This implies that a more sensitive detector with a selected medium-width filter may be capable of measuring emission polarization accurately enough to make this parameter useful as a remote sensing tool for discrimination among rocks on the basis of texture.

  1. Geographical Income Polarization

    DEFF Research Database (Denmark)

    Azhar, Hussain; Jonassen, Anders Bruun

    inter municipal income inequality. Counter factual simulations show that rising property prices to a large part explain the rise in polarization. One side-effect of polarization is tendencies towards a parallel polarization of residence location patterns, where low skilled individuals tend to live......In this paper we estimate the degree, composition and development of geographical income polarization based on data at the individual and municipal level in Denmark from 1984 to 2002. Rising income polarization is reconfirmed when applying new polarization measures, the driving force being greater...

  2. Modeling diffusion coefficients in binary mixtures of polar and non-polar compounds

    DEFF Research Database (Denmark)

    Medvedev, Oleg; Shapiro, Alexander

    2005-01-01

    The theory of transport coefficients in liquids, developed previously, is tested on a description of the diffusion coefficients in binary polar/non-polar mixtures, by applying advanced thermodynamic models. Comparison to a large set of experimental data shows good performance of the model. Only...

  3. Polarized Light Corridor Demonstrations.

    Science.gov (United States)

    Davies, G. R.

    1990-01-01

    Eleven demonstrations of light polarization are presented. Each includes a brief description of the apparatus and the effect demonstrated. Illustrated are strain patterns, reflection, scattering, the Faraday Effect, interference, double refraction, the polarizing microscope, and optical activity. (CW)

  4. Safety Basis Report

    International Nuclear Information System (INIS)

    R.J. Garrett

    2002-01-01

    As part of the internal Integrated Safety Management Assessment verification process, it was determined that there was a lack of documentation that summarizes the safety basis of the current Yucca Mountain Project (YMP) site characterization activities. It was noted that a safety basis would make it possible to establish a technically justifiable graded approach to the implementation of the requirements identified in the Standards/Requirements Identification Document. The Standards/Requirements Identification Documents commit a facility to compliance with specific requirements and, together with the hazard baseline documentation, provide a technical basis for ensuring that the public and workers are protected. This Safety Basis Report has been developed to establish and document the safety basis of the current site characterization activities, establish and document the hazard baseline, and provide the technical basis for identifying structures, systems, and components (SSCs) that perform functions necessary to protect the public, the worker, and the environment from hazards unique to the YMP site characterization activities. This technical basis for identifying SSCs serves as a grading process for the implementation of programs such as Conduct of Operations (DOE Order 5480.19) and the Suspect/Counterfeit Items Program. In addition, this report provides a consolidated summary of the hazards analyses processes developed to support the design, construction, and operation of the YMP site characterization facilities and, therefore, provides a tool for evaluating the safety impacts of changes to the design and operation of the YMP site characterization activities

  5. Safety Basis Report

    Energy Technology Data Exchange (ETDEWEB)

    R.J. Garrett

    2002-01-14

    As part of the internal Integrated Safety Management Assessment verification process, it was determined that there was a lack of documentation that summarizes the safety basis of the current Yucca Mountain Project (YMP) site characterization activities. It was noted that a safety basis would make it possible to establish a technically justifiable graded approach to the implementation of the requirements identified in the Standards/Requirements Identification Document. The Standards/Requirements Identification Documents commit a facility to compliance with specific requirements and, together with the hazard baseline documentation, provide a technical basis for ensuring that the public and workers are protected. This Safety Basis Report has been developed to establish and document the safety basis of the current site characterization activities, establish and document the hazard baseline, and provide the technical basis for identifying structures, systems, and components (SSCs) that perform functions necessary to protect the public, the worker, and the environment from hazards unique to the YMP site characterization activities. This technical basis for identifying SSCs serves as a grading process for the implementation of programs such as Conduct of Operations (DOE Order 5480.19) and the Suspect/Counterfeit Items Program. In addition, this report provides a consolidated summary of the hazards analyses processes developed to support the design, construction, and operation of the YMP site characterization facilities and, therefore, provides a tool for evaluating the safety impacts of changes to the design and operation of the YMP site characterization activities.

  6. Polarized Moessbauer transitions

    International Nuclear Information System (INIS)

    Barb, D.

    1975-01-01

    Theoretical aspects of the emission, absorption and scattering of polarized gamma rays are reviewed for a general case of combined magnetic and electric hyperfine interactions; various possibilities of obtaining polarized gamma sources are described and examples are given of the applications of Moessbauer spectroscopy with polarized gamma rays in solving problems of solid state physics. (A.K.)

  7. Polarization transfer in relativistic magnetized plasmas

    Science.gov (United States)

    Heyvaerts, Jean; Pichon, Christophe; Prunet, Simon; Thiébaut, Jérôme

    2013-04-01

    The polarization transfer coefficients of a relativistic magnetized plasma are derived. These results apply to any momentum distribution function of the particles, isotropic or anisotropic. Particles interact with the radiation either in a non-resonant mode when the frequency of the radiation exceeds their characteristic synchrotron emission frequency or quasi-resonantly otherwise. These two classes of particles contribute differently to the polarization transfer coefficients. For a given frequency, this dichotomy corresponds to a regime change in the dependence of the transfer coefficients on the parameters of the particle's population, since these parameters control the relative weight of the contribution of each class of particles. Our results apply to either regimes as well as the intermediate one. The derivation of the transfer coefficients involves an exact expression of the conductivity tensor of the relativistic magnetized plasma that has not been used hitherto in this context. Suitable expansions valid at frequencies much larger than the cyclotron frequency allow us to analytically perform the summation over all resonances at high harmonics of the relativistic gyrofrequency. The transfer coefficients are represented in the form of two-variable integrals that can be conveniently computed for any set of parameters by using Olver's expansion of high-order Bessel functions. We particularize our results to a number of distribution functions, isotropic, thermal or power law, with different multipolar anisotropies of low order, or strongly beamed. Specifically, earlier exact results for thermal distributions are recovered. For isotropic distributions, the Faraday coefficients are expressed in the form of a one-variable quadrature over energy, for which we provide the kernels in the high-frequency limit and in the asymptotic low-frequency limit. An interpolation formula extending over the full energy range is proposed for these kernels. A similar reduction to a

  8. Circular polarization measurements with a Ge(Li) detector

    DEFF Research Database (Denmark)

    Kopecký, J.; Warming, Inge Elisabeth

    1969-01-01

    This paper presents the results obtained in measurements of the degree of circular polarization of gamma transitions to bound states of 33S, 36Cl, 49Ti, 56Mn, 57Fe, 60Co and 64Cu following the capture of polarized thermal neutrons. Spin values have been determined on the basis of these results....

  9. Simulation of erasure of photoinduced anisotropy by circularly polarized light

    DEFF Research Database (Denmark)

    Sajti, Sz.; Kerekes, Á.; Barabás, M.

    2001-01-01

    The temporal evolution of photoinduced birefringence is investigated on the basis of a model proposed by Pedersen and co-workers, This model is extended for the case of elliptically polarized light, and used to describe the erasure of photoinduced birefringence by circularly polarized light...

  10. Authorization basis requirements comparison report

    International Nuclear Information System (INIS)

    Brantley, W.M.

    1997-01-01

    The TWRS Authorization Basis (AB) consists of a set of documents identified by TWRS management with the concurrence of DOE-RL. Upon implementation of the TWRS Basis for Interim Operation (BIO) and Technical Safety Requirements (TSRs), the AB list will be revised to include the BIO and TSRs. Some documents that currently form part of the AB will be removed from the list. This SD identifies each - requirement from those documents, and recommends a disposition for each to ensure that necessary requirements are retained when the AB is revised to incorporate the BIO and TSRs. This SD also identifies documents that will remain part of the AB after the BIO and TSRs are implemented. This document does not change the AB, but provides guidance for the preparation of change documentation

  11. Authorization basis requirements comparison report

    Energy Technology Data Exchange (ETDEWEB)

    Brantley, W.M.

    1997-08-18

    The TWRS Authorization Basis (AB) consists of a set of documents identified by TWRS management with the concurrence of DOE-RL. Upon implementation of the TWRS Basis for Interim Operation (BIO) and Technical Safety Requirements (TSRs), the AB list will be revised to include the BIO and TSRs. Some documents that currently form part of the AB will be removed from the list. This SD identifies each - requirement from those documents, and recommends a disposition for each to ensure that necessary requirements are retained when the AB is revised to incorporate the BIO and TSRs. This SD also identifies documents that will remain part of the AB after the BIO and TSRs are implemented. This document does not change the AB, but provides guidance for the preparation of change documentation.

  12. Probing community nurses' professional basis

    DEFF Research Database (Denmark)

    Schaarup, Clara; Pape-Haugaard, Louise; Jensen, Merete Hartun

    2017-01-01

    Complicated and long-lasting wound care of diabetic foot ulcers are moving from specialists in wound care at hospitals towards community nurses without specialist diabetic foot ulcer wound care knowledge. The aim of the study is to elucidate community nurses' professional basis for treating...... diabetic foot ulcers. A situational case study design was adopted in an archetypical Danish community nursing setting. Experience is a crucial component in the community nurses' professional basis for treating diabetic foot ulcers. Peer-to-peer training is the prevailing way to learn about diabetic foot...... ulcer, however, this contributes to the risk of low evidence-based practice. Finally, a frequent behaviour among the community nurses is to consult colleagues before treating the diabetic foot ulcers....

  13. Physics with polarized electrons and targets

    International Nuclear Information System (INIS)

    Donnelly, T.W.

    1984-01-01

    With the advent of electron stretcher or storage rings electron scattering from polarized targets becomes a general new tool for nuclear structure studies. Without such facilities it is necessary to have very dense polarized targets for use with the typical (less or approximately equal 50 μA) electron beams available and very few measurements of this type have been attempted. On the other hand, with electron rings the effective circulating current can be greatly increased. In this case much thinner internal targets may be used while still maintaining the same luminosity as in external beam experiments. In ancticipation of such new experimental capabilities we have re-developed the theoretical basis for discussions of electron scattering from polarized targets using either unpolarized or polarized electron beams. This work takes the formalism of unpolarized (e,e') and extends it in a straightforward way to include general polarizations of electrons, target nuclei, recoil nuclei or any combinations of these polarizations. In the present context it is only possible to provide a brief summary of the general form of the cross section and to present a few illustrative examples of the nuclear structure information that may be extracted from such polarization measurements

  14. The Physics of Polarization

    Science.gov (United States)

    Landi Degl'Innocenti, Egidio

    2015-10-01

    The introductory lecture that has been delivered at this Symposium is a condensed version of an extended course held by the author at the XII Canary Island Winter School from November 13 to November 21, 2000. The full series of lectures can be found in Landi Degl'Innocenti (2002). The original reference is organized in 20 Sections that are here itemized: 1. Introduction, 2. Description of polarized radiation, 3. Polarization and optical devices: Jones calculus and Muller matrices, 4. The Fresnel equations, 5. Dichroism and anomalous dispersion, 6. Polarization in everyday life, 7. Polarization due to radiating charges, 8. The linear antenna, 9. Thomson scattering, 10. Rayleigh scattering, 11. A digression on Mie scattering, 12. Bremsstrahlung radiation, 13. Cyclotron radiation, 14. Synchrotron radiation, 15. Polarization in spectral lines, 16. Density matrix and atomic polarization, 17. Radiative transfer and statistical equilibrium equations, 18. The amplification condition in polarized radiative transfer, and 19. Coupling radiative transfer and statistical equilibrium equations.

  15. Tensor calculus in polar coordinates using Jacobi polynomials

    Science.gov (United States)

    Vasil, Geoffrey M.; Burns, Keaton J.; Lecoanet, Daniel; Olver, Sheehan; Brown, Benjamin P.; Oishi, Jeffrey S.

    2016-11-01

    Spectral methods are an efficient way to solve partial differential equations on domains possessing certain symmetries. The utility of a method depends strongly on the choice of spectral basis. In this paper we describe a set of bases built out of Jacobi polynomials, and associated operators for solving scalar, vector, and tensor partial differential equations in polar coordinates on a unit disk. By construction, the bases satisfy regularity conditions at r = 0 for any tensorial field. The coordinate singularity in a disk is a prototypical case for many coordinate singularities. The work presented here extends to other geometries. The operators represent covariant derivatives, multiplication by azimuthally symmetric functions, and the tensorial relationship between fields. These arise naturally from relations between classical orthogonal polynomials, and form a Heisenberg algebra. Other past work uses more specific polynomial bases for solving equations in polar coordinates. The main innovation in this paper is to use a larger set of possible bases to achieve maximum bandedness of linear operations. We provide a series of applications of the methods, illustrating their ease-of-use and accuracy.

  16. Physics with polarization at the SLD

    International Nuclear Information System (INIS)

    Burrows, P.N.

    1990-05-01

    The SLD detector is nearing completion and will start physics-quality data-taking at the SLC in 1991 with a longitudinally polarized electron beam and unpolarized positron beam. The current status of the detector is reviewed and the rich program of physics measurements possible with polarization and the SLD detector is briefly presented. In particular, the left-right polarization asymmetry, A LR , will be a unique measurement for the next few years and will allow tight bounds to be set upon the mass of the top quark. 14 refs., 1 fig

  17. Thermal Thresholds of Phytoplankton Growth in Polar Waters and Their Consequences for a Warming Polar Ocean

    Directory of Open Access Journals (Sweden)

    Alexandra Coello-Camba

    2017-06-01

    Full Text Available Polar areas are experiencing the steepest warming rates on Earth, a trend expected to continue in the future. In these habitats, phytoplankton communities constitute the basis of the food web and their thermal tolerance may dictate how warming affects these delicate environments. Here, we compiled available data on thermal responses of phytoplankton growth in polar waters. We assembled 53 growth-vs.-temperature curves (25 from the Arctic, 28 from the Southern oceans, indicating the limited information available for these ecosystems. Half of the data from Arctic phytoplankton came from natural communities where low ambient concentrations could limit growth rates. Phytoplankton from polar waters grew faster under small temperature increases until reaching an optimum (TOPT, and slowed when temperatures increased beyond this value. This left-skewed curves were characterized by higher activation energies (Ea for phytoplankton growth above than below the TOPT. Combining these thermal responses we obtained a community TOPT of 6.5°C (±0.2 and 5.2°C (±0.1 for Arctic and Southern Ocean phytoplankton communities, respectively. These threshold temperatures were already exceeded at 70°N during the first half of August 2013, evidenced by sea surface temperatures (SSTs, satellite data, http://www.ncdc.noaa.gov. We forecasted SSTs for the end of the twenty-first century by assuming an overall 3°C increase, equivalent to a low emission scenario. Our forecasts show that SSTs at 70°N are expected to exceed TOPT during summer by 2100, and during the first half of August at 75°N. While recent Arctic spring temperatures average 0.5°C and −0.7°C at 70°N and 75°N, respectively, they could increase to 2.8°C at 70°N and 2.2°C at 75°N as we approach 2100. Such temperature increases could lead to intense phytoplankton blooms, shortened by fast nutrient consumption. As SSTs increase, thermal thresholds for phytoplankton growth would be eventually exceeded

  18. Thermal Thresholds of Phytoplankton Growth in Polar Waters and Their Consequences for a Warming Polar Ocean

    KAUST Repository

    Coello-Camba, Alexandra

    2017-06-02

    Polar areas are experiencing the steepest warming rates on Earth, a trend expected to continue in the future. In these habitats, phytoplankton communities constitute the basis of the food web and their thermal tolerance may dictate how warming affects these delicate environments. Here, we compiled available data on thermal responses of phytoplankton growth in polar waters. We assembled 53 growth-vs.-temperature curves (25 from the Arctic, 28 from the Southern oceans), indicating the limited information available for these ecosystems. Half of the data from Arctic phytoplankton came from natural communities where low ambient concentrations could limit growth rates. Phytoplankton from polar waters grew faster under small temperature increases until reaching an optimum (TOPT), and slowed when temperatures increased beyond this value. This left-skewed curves were characterized by higher activation energies (Ea) for phytoplankton growth above than below the TOPT. Combining these thermal responses we obtained a community TOPT of 6.5°C (±0.2) and 5.2°C (±0.1) for Arctic and Southern Ocean phytoplankton communities, respectively. These threshold temperatures were already exceeded at 70°N during the first half of August 2013, evidenced by sea surface temperatures (SSTs, satellite data, http://www.ncdc.noaa.gov). We forecasted SSTs for the end of the twenty-first century by assuming an overall 3°C increase, equivalent to a low emission scenario. Our forecasts show that SSTs at 70°N are expected to exceed TOPT during summer by 2100, and during the first half of August at 75°N. While recent Arctic spring temperatures average 0.5°C and −0.7°C at 70°N and 75°N, respectively, they could increase to 2.8°C at 70°N and 2.2°C at 75°N as we approach 2100. Such temperature increases could lead to intense phytoplankton blooms, shortened by fast nutrient consumption. As SSTs increase, thermal thresholds for phytoplankton growth would be eventually exceeded during bloom

  19. CLOPW; a mixed basis set full potential electronic structure method

    NARCIS (Netherlands)

    Bekker, H.G.; Bekker, Hermie Gerhard

    1997-01-01

    This thesis is about the development of the full potental CLOPW package for electronic structure calculations. Chapter 1 provides the necessary background in the theory of solid state physics. It gives a short overview of the effective one particle model as commonly used in solid state physics. It

  20. Quantum mechanic study of basis set effect on NMR chemical ...

    African Journals Online (AJOL)

    Amino Acids can be defined separately by the unique characteristic rendered to each amino acid molecule as a result of the varying reactive abilities of their side chains. Structural analysis is performed using ab initio calculations in GAUSSIAN 98 program. The behavior of every atom as well as that of molecular fragments ...

  1. The polarized platypus polarized neutron reflectometry made possible

    International Nuclear Information System (INIS)

    Saerbeck, Thomas

    2009-01-01

    Full text: The magnetic moment of the neutron, together with it's highly penetrating non destructive manner, make polarized neutron reflectometry an excellent tool to study magnetic phenomena across surfaces and interfaces of thin films. Unlike other magnetometry techniques which ordinarily yield only average magnetization values or, in case of probes with higher spatial resolution (e.g. electron microscopy or scanning tunnelling microscopy), show a high surface sensitivity, PNR together with magnetic x-ray scattering provides the ability to spatially resolve vector magnetization well beneath the surface [1] The ability to obtain vector magnetization profiles across interfaces and surfaces of thin films and multilayers offers the intriguing possibility to study systematically magnetic configurations and magnetic exchange interactions through intervening layers. In this paper we present the performance of the new polarization system installed on the time of flight neutron reflectometer PLATYPUS at ANSTO's Bragg Institute. The spin state of the neutrons is polarized and analysed by spatial separation of different neutron spin states using polarizing Fe/Si supermirrors before, and after the sample stage. The supermirrors have a large wavelength acceptance bandwidth of 3 A to 12 A. To control the desired spin direction of the incoming and reflected beam from the sample, two sets of RF spin flippers are installed. In the free space between the spin flippers and the sample stage the neutron spin direction is maintained by two sets of magnetic guide field coils. The new sample environment for studies of magnetic samples includes a 1 T electromagnet and a closed cycle refrigerator which gives access to a temperature range from 4K to 3 50 K .

  2. [Review] Polarization and Polarimetry

    Science.gov (United States)

    Trippe, Sascha

    2014-02-01

    Polarization is a basic property of light and is fundamentally linked to the internal geometry of a source of radiation. Polarimetry complements photometric, spectroscopic, and imaging analyses of sources of radiation and has made possible multiple astrophysical discoveries. In this article I review (i) the physical basics of polarization: electromagnetic waves, photons, and parameterizations; (ii) astrophysical sources of polarization: scattering, synchrotron radiation, active media, and the Zeeman, Goldreich-Kylafis, and Hanle effects, as well as interactions between polarization and matter (like birefringence, Faraday rotation, or the Chandrasekhar-Fermi effect); (iii) observational methodology: on-sky geometry, influence of atmosphere and instrumental polarization, polarization statistics, and observational techniques for radio, optical, and X/γ wavelengths; and (iv) science cases for astronomical polarimetry: solar and stellar physics, planetary system bodies, interstellar matter, astrobiology, astronomical masers, pulsars, galactic magnetic fields, gamma-ray bursts, active galactic nuclei, and cosmic microwave background radiation.

  3. Polarization-encoded optical shadow-casting logic units: design.

    Science.gov (United States)

    Karim, M A; Awwal, A A; Cherri, A K

    1987-07-15

    A general design algorithm is presented for the multioutput polarization-encoded optical shadow-casting scheme. A set of POSC equations is obtained from the truth table of the desired logic unit and is solved in terms of four possible pixel characteristics (transparent, opaque, vertically polarized, and horizontally polarized) and four possible source characteristics (off, unpolarized, vertically polarized, and horizontally polarized). To demonstrate its feasibility, the algorithm is used to determine the input pixel characteristics of a full adder and a full subtracter.

  4. Economic communication model set

    Science.gov (United States)

    Zvereva, Olga M.; Berg, Dmitry B.

    2017-06-01

    This paper details findings from the research work targeted at economic communications investigation with agent-based models usage. The agent-based model set was engineered to simulate economic communications. Money in the form of internal and external currencies was introduced into the models to support exchanges in communications. Every model, being based on the general concept, has its own peculiarities in algorithm and input data set since it was engineered to solve the specific problem. Several and different origin data sets were used in experiments: theoretic sets were estimated on the basis of static Leontief's equilibrium equation and the real set was constructed on the basis of statistical data. While simulation experiments, communication process was observed in dynamics, and system macroparameters were estimated. This research approved that combination of an agent-based and mathematical model can cause a synergetic effect.

  5. From BASIS to MIRACLES

    DEFF Research Database (Denmark)

    Tsapatsaris, Nikolaos; Willendrup, Peter Kjær; E. Lechner, Ruep

    2015-01-01

    Results based on virtual instrument models for the first high-flux, high-resolution, spallation based, backscattering spectrometer, BASIS are presented in this paper. These were verified using the Monte Carlo instrument simulation packages McStas and VITESS. Excellent agreement of the neutron count...... are pivotal to the conceptual design of the next generation backscattering spectrometer, MIRACLES at the European Spallation Source....

  6. Polarization feedback laser stabilization

    Science.gov (United States)

    Esherick, P.; Owyoung, A.

    1987-09-28

    A system for locking two Nd:YAG laser oscillators includes an optical path for feeding the output of one laser into the other with different polarizations. Elliptical polarization is incorporated into the optical path so that the change in polarization that occurs when the frequencies coincide may be detected to provide a feedback signal to control one laser relative to the other. 4 figs.

  7. Polarization in Sagittarius A*

    OpenAIRE

    Bower, Geoffrey C.

    2000-01-01

    We summarize the current state of polarization observations of Sagittarius A*, the compact radio source and supermassive black hole candidate in the Galactic Center. These observations are providing new tools for understanding accretion disks, jets and their environments. Linear polarization observations have shown that Sgr A* is unpolarized at frequencies as high as 86 GHz. However, recent single-dish observations indicate that Sgr A* may have strong linear polarization at frequencies higher...

  8. A new implementation of the second-order polarization propagator approximation (SOPPA)

    DEFF Research Database (Denmark)

    Packer, Martin J.; Dalskov, Erik K.; Enevoldsen, Thomas

    1996-01-01

    We present a new implementation of the second-order polarization propagator approximation (SOPPA) using a direct linear transformation approach, in which the SOPPA equations are solved iteratively. This approach has two important advantages over its predecessors. First, the direct linear...... and triplet transitions for benzene and naphthalene. The results compare well with experiment and CASPT2 values, calculated with identical basis sets and molecular geometries. This indicates that SOPPA can provide reliable values for excitation energies and response properties for relatively large molecular...

  9. Atomic polar tensors and acid-base properties of metal-oxide building blocks

    International Nuclear Information System (INIS)

    Ferris, K.F.

    1993-02-01

    The sensitivity of the atomic polar tensor to compositional substituents is reported for the alkali silicate series. Rotational invariants, effective atomic charge (GAPT) and charge normalized anisotropy and dipole (α n and γ n ) are used to characterize the charge distribution and chemical environment of the atomic sites. Comparison of α n and γ n with a series of known Bronsted and Lewis acids and bases suggests that these rotational invariants may act as indicators for metal-oxide site acidities. Basis set and electron correlation particularly affect the determined effective charge, but show minimal effect on α and γ quantities

  10. Airborne Laser Polarization Sensor

    Science.gov (United States)

    Kalshoven, James, Jr.; Dabney, Philip

    1991-01-01

    Instrument measures polarization characteristics of Earth at three wavelengths. Airborne Laser Polarization Sensor (ALPS) measures optical polarization characteristics of land surface. Designed to be flown at altitudes of approximately 300 m to minimize any polarizing or depolarizing effects of intervening atmosphere and to look along nadir to minimize any effects depending on look angle. Data from measurements used in conjunction with data from ground surveys and aircraft-mounted video recorders to refine mathematical models used in interpretation of higher-altitude polarimetric measurements of reflected sunlight.

  11. Polarization at SLC

    International Nuclear Information System (INIS)

    Swartz, M.L.

    1988-07-01

    The SLAC Linear Collider has been designed to readily accommodate polarized electron beams. Considerable effort has been made to implement a polarized source, a spin rotation system, and a system to monitor the beam polarization. Nearly all major components have been fabricated. At the current time, several source and polarimeter components have been installed. The installation and commissioning of the entire system will take place during available machine shutdown periods as the commissioning of SLC progresses. It is expected that a beam polarization of 45% will be achieved with no loss in luminosity. 13 refs., 15 figs

  12. Polarization tracking system for free-space optical communication, including quantum communication

    Science.gov (United States)

    Nordholt, Jane Elizabeth; Newell, Raymond Thorson; Peterson, Charles Glen; Hughes, Richard John

    2018-01-09

    Quantum communication transmitters include beacon lasers that transmit a beacon optical signal in a predetermined state of polarization such as one of the states of polarization of a quantum communication basis. Changes in the beacon polarization are detected at a receiver, and a retarder is adjusted so that the states of polarization in a received quantum communication optical signal are matched to basis polarizations. The beacon and QC signals can be at different wavelengths so that the beacon does not interfere with detection and decoding of the QC optical signal.

  13. Spectroscopic information from different theoretical descriptions of (un)polarized (e,e sup ' p) reactions

    CERN Document Server

    Radici, M; Dickhoff, W H

    2003-01-01

    We analyze the unpolarized and polarized electron-induced proton knockout reactions on sup 1 sup 6 O in different kinematical settings using two theoretical approaches. The first one is based on a relativistic mean-field distorted-wave description of the bound and scattering states of the proton, including a fully relativistic electromagnetic current operator. The second approach adopts the same current operator, but describes the proton properties on the basis of microscopic calculations of the self-energy in sup 1 sup 6 O below the Fermi energy and final-state damping in nuclear matter above the Fermi energy, using the same realistic short-range and tensor correlations. Good agreement with all unpolarized data is obtained at low and high Q sup 2 by using the same spectroscopic factors fixed by the low-Q sup 2 analysis. A reasonable agreement is achieved for polarization observables. (orig.)

  14. Polarization force-induced changes in the dust sheath formation

    Energy Technology Data Exchange (ETDEWEB)

    Mayout, Saliha; Bentabet, Karima; Tribeche, Mouloud [Plasma Physics Group (PPG), Theoretical Physics Laboratory (TPL), Faculty of Physics, University of Bab-Ezzouar, USTHB, BP 32, El Alia, Algiers 16111 (Algeria)

    2015-09-15

    The modifications arising in the dusty plasma sheath structure due to the presence of polarization forces acting on the dust grains are investigated. The corresponding appropriate Bohm criterion for sheath formation is obtained. It is found that the critical Mach number, beyond which the dusty plasma electrostatic sheath sets in, decreases whenever the polarization effects become important. In addition, when the polarization force dominates over the electrical one, the dust plasma sheath cannot set in. This happens whenever the dust grain size exceeds a critical threshold. Moreover, the sheath electrostatic potential-gradient becomes abruptly steep, and the sheath thickness becomes broader as the polarization force effects strengthen.

  15. Design basis 2

    Energy Technology Data Exchange (ETDEWEB)

    Larsen, G.; Soerensen, P. [Risoe National Lab., Roskilde (Denmark)

    1996-09-01

    Design Basis Program 2 (DBP2) is comprehensive fully coupled code which has the capability to operate in the time domain as well as in the frequency domain. The code was developed during the period 1991-93 and succeed Design Basis 1, which is a one-blade model presuming stiff tower, transmission system and hub. The package is designed for use on a personal computer and offers a user-friendly environment based on menu-driven editing and control facilities, and with graphics used extensively for the data presentation. Moreover in-data as well as results are dumped on files in Ascii-format. The input data is organized in a in-data base with a structure that easily allows for arbitrary combinations of defined structural components and load cases. (au)

  16. Our Polar Past

    Science.gov (United States)

    Clary, Renee; Wandersee, James

    2009-01-01

    The study of polar exploration is fascinating and offers students insights into the history, culture, and politics that affect the developing sciences at the farthest ends of Earth. Therefore, the authors think there is value in incorporating polar exploration accounts within modern science classrooms, and so they conducted research to test their…

  17. Terahertz polarization imaging

    NARCIS (Netherlands)

    Van der Valk, N.C.J.; Van der Marel, W.A.M.; Planken, P.C.M.

    2005-01-01

    We present a new method to measure the polarization state of a terahertz pulse by using a modified electrooptic sampling setup. To illustrate the power of this method, we show two examples in which the knowledge of the polarization of the terahertz pulse is essential for interpreting the results:

  18. Polarized proton beams

    International Nuclear Information System (INIS)

    Roser, T.

    1995-01-01

    The acceleration of polarized proton beams in circular accelerators is complicated by the presence of numerous depolarizing spin resonances. Careful and tedious minimization of polarization loss at each of these resonances allowed acceleration of polarized proton beams up to 22 GeV. It has been the hope that Siberian Snakes, which are local spin rotators inserted into ring accelerators, would eliminate these resonances and allow acceleration of polarized beams with the same ease and efficiency that is now routine for unpolarized beams. First tests at IUCF with a full Siberian Snake showed that the spin dynamics with a Snake can be understood in detail. The author now has results of the first tests of a partial Siberian Snake at the AGS, accelerating polarized protons to an energy of about 25 GeV. These successful tests of storage and acceleration of polarized proton beams open up new possibilities such as stored polarized beams for internal target experiments and high energy polarized proton colliders

  19. Polar Science Is Cool!

    Science.gov (United States)

    Weeks, Sophie

    2012-01-01

    Children are fascinated by the fact that polar scientists do research in extremely cold and dangerous places. In the Arctic they might be viewed as lunch by a polar bear. In the Antarctic, they could lose toes and fingers to frostbite and the wind is so fast it can rip skin off. They camp on ice in continuous daylight, weeks from any form of…

  20. Modulation of electromagnetic fields by a depolarizer of random polarizer array

    DEFF Research Database (Denmark)

    Ma, Ning; Hanson, Steen Grüner; Wang, Wei

    2016-01-01

    The statistical properties of the electric fields with random changes of the polarization state in space generated by a depolarizer are investigated on the basis of the coherence matrix. The depolarizer is a polarizer array composed of a multitude of contiguous square cells of polarizers with ran......The statistical properties of the electric fields with random changes of the polarization state in space generated by a depolarizer are investigated on the basis of the coherence matrix. The depolarizer is a polarizer array composed of a multitude of contiguous square cells of polarizers...... with randomly distributed polarization angles, where the incident fields experience a random polarization modulation after passing through the depolarizer. The propagation of the modulated electric fields through any quadratic optical system is examined within the framework of the complex ABCD matrix to show...

  1. Precision Polarization of Neutrons

    Science.gov (United States)

    Martin, Elise; Barron-Palos, Libertad; Couture, Aaron; Crawford, Christopher; Chupp, Tim; Danagoulian, Areg; Estes, Mary; Hona, Binita; Jones, Gordon; Klein, Andi; Penttila, Seppo; Sharma, Monisha; Wilburn, Scott

    2009-05-01

    Determining polarization of a cold neutron beam to high precision is required for the next generation neutron decay correlation experiments at the SNS, such as the proposed abBA and PANDA experiments. Precision polarimetry measurements were conducted at Los Alamos National Laboratory with the goal of determining the beam polarization to the level of 10-3 or better. The cold neutrons from FP12 were polarized using optically polarized ^3He gas as a spin filter, which has a highly spin-dependent absorption cross section. A second ^ 3He spin filter was used to analyze the neutron polarization after passing through a resonant RF spin rotator. A discussion of the experiment and results will be given.

  2. Optically polarized 3He

    Science.gov (United States)

    Gentile, T. R.; Nacher, P. J.; Saam, B.; Walker, T. G.

    2018-01-01

    This article reviews the physics and technology of producing large quantities of highly spin-polarized 3He nuclei using spin-exchange (SEOP) and metastability-exchange (MEOP) optical pumping. Both technical developments and deeper understanding of the physical processes involved have led to substantial improvements in the capabilities of both methods. For SEOP, the use of spectrally narrowed lasers and K-Rb mixtures has substantially increased the achievable polarization and polarizing rate. For MEOP nearly lossless compression allows for rapid production of polarized 3He and operation in high magnetic fields has likewise significantly increased the pressure at which this method can be performed, and revealed new phenomena. Both methods have benefitted from development of storage methods that allow for spin-relaxation times of hundreds of hours, and specialized precision methods for polarimetry. SEOP and MEOP are now widely applied for spin-polarized targets, neutron spin filters, magnetic resonance imaging, and precision measurements. PMID:29503479

  3. Optically polarized 3He

    Science.gov (United States)

    Gentile, T. R.; Nacher, P. J.; Saam, B.; Walker, T. G.

    2017-10-01

    This article reviews the physics and technology of producing large quantities of highly spin-polarized 3He nuclei using spin-exchange (SEOP) and metastability-exchange (MEOP) optical pumping. Both technical developments and deeper understanding of the physical processes involved have led to substantial improvements in the capabilities of both methods. For SEOP, the use of spectrally narrowed lasers and K-Rb mixtures has substantially increased the achievable polarization and polarizing rate. For MEOP nearly lossless compression allows for rapid production of polarized 3He and operation in high magnetic fields has likewise significantly increased the pressure at which this method can be performed, and revealed new phenomena. Both methods have benefitted from development of storage methods that allow for spin-relaxation times of hundreds of hours, and specialized precision methods for polarimetry. SEOP and MEOP are now widely applied for spin-polarized targets, neutron spin filters, magnetic resonance imaging, and precision measurements.

  4. Parallel Polarization State Generation.

    Science.gov (United States)

    She, Alan; Capasso, Federico

    2016-05-17

    The control of polarization, an essential property of light, is of wide scientific and technological interest. The general problem of generating arbitrary time-varying states of polarization (SOP) has always been mathematically formulated by a series of linear transformations, i.e. a product of matrices, imposing a serial architecture. Here we show a parallel architecture described by a sum of matrices. The theory is experimentally demonstrated by modulating spatially-separated polarization components of a laser using a digital micromirror device that are subsequently beam combined. This method greatly expands the parameter space for engineering devices that control polarization. Consequently, performance characteristics, such as speed, stability, and spectral range, are entirely dictated by the technologies of optical intensity modulation, including absorption, reflection, emission, and scattering. This opens up important prospects for polarization state generation (PSG) with unique performance characteristics with applications in spectroscopic ellipsometry, spectropolarimetry, communications, imaging, and security.

  5. Molecular Basis of Bacterial Longevity

    Directory of Open Access Journals (Sweden)

    Kieran B. Pechter

    2017-11-01

    Full Text Available It is well known that many bacteria can survive in a growth-arrested state for long periods of time, on the order of months or even years, without forming dormant structures like spores or cysts. How is such longevity possible? What is the molecular basis of such longevity? Here we used the Gram-negative phototrophic alphaproteobacterium Rhodopseudomonas palustris to identify molecular determinants of bacterial longevity. R. palustris maintained viability for over a month after growth arrest due to nutrient depletion when it was provided with light as a source of energy. In transposon sequencing (Tn-seq experiments, we identified 117 genes that were required for long-term viability of nongrowing R. palustris cells. Genes in this longevity gene set are annotated to play roles in a number of cellular processes, including DNA repair, tRNA modification, and the fidelity of protein synthesis. These genes are critically important only when cells are not growing. Three genes annotated to affect translation or posttranslational modifications were validated as bona fide longevity genes by mutagenesis and complementation experiments. These genes and others in the longevity gene set are broadly conserved in bacteria. This raises the possibility that it will be possible to define a core set of longevity genes common to many bacterial species.

  6. Molecular mechanisms that regulate the macrophage M1/M2 polarization balance

    Directory of Open Access Journals (Sweden)

    Nan eWang

    2014-11-01

    Full Text Available As an essential component of innate immunity, macrophages have multiple functions in both inhibiting or promoting cell proliferation and tissue repair. Diversity and plasticity are hallmarks of macrophages. Classical M1 and alternative M2 activation of macrophages, mirroring the Th1–Th2 polarization of T cells, represent two extremes of a dynamic changing state of macrophage activation. M1-type macrophages release cytokines that inhibit the proliferation of surrounding cells and damage contiguous tissue, and M2-type macrophages release cytokines that promote the proliferation of contiguous cells and tissue repair. M1-M2 polarization of macrophage is a tightly controlled process entailing a set of signaling pathways, transcriptional and posttranscriptional regulatory networks. An imbalance of macrophage M1-M2 polarization is often associated with various diseases or inflammatory conditions. Therefore identification of the molecules associated with the dynamic changes of macrophage polarization and understanding their interactions is crucial for elucidating the molecular basis of disease progression and designing novel macrophage-mediated therapeutic strategies.

  7. Metric graphic sets

    Science.gov (United States)

    Garces, I. J. L.; Rosario, J. B.

    2017-10-01

    For an ordered subset W = {w 1, w 2, …, wk } of vertices in a connected graph G and a vertex v of G, the metric representation of v with respect to W is the k-vector r(v|W) = (d(v, w 1), d(v, w 2), …, d(v, wk )), where d(v, wi ) is the distance of the vertices v and wi in G. The set W is called a resolving set of G if r(u|W) = r(v|W) implies u = v. The metric dimension of G, denoted by β(G), is the minimum cardinality of a resolving set of G, and a resolving set of G with cardinality equal to its metric dimension is called a metric basis of G. A set T of vectors is called a positive lattice set if all the coordinates in each vector of T are positive integers. A positive lattice set T consisting of n k-vectors is called a metric graphic set if there exists a simple connected graph G of order n + k with β(G) = k such that T = {r(ui |S) : ui ∈ V (G)\\S, 1 ≤ i ≤ n} for some metric basis S = {s 1, s 2, …, sk } of G. If such G exists, then we say G is a metric graphic realization of T. In this paper, we introduce the concept of metric graphic sets anchored on the concept of metric dimension and provide some characterizations. We also give necessary and sufficient conditions for any positive lattice set consisting of 2 k-vectors to be a metric graphic set. We provide an upper bound for the sum of all the coordinates of any metric graphic set and enumerate some properties of positive lattice sets consisting of n 2-vectors that are not metric graphic sets.

  8. Polarization singularity anarchy in three dimensional ellipse fields

    Science.gov (United States)

    Freund, Isaac

    2004-11-01

    Lines of circular polarization, C lines, and lines of linear polarization, L lines, are studied in a computer simulated random three-dimensional ellipse field. Although we verify existing predictions for the location of particular points on these lines at which the sign of the topological index of the line inverts, we show that from the point of view of foliations of the field such points are better described as points of pair production. We find a new set of true sign inversion points, and show that when all possible foliations are considered this set includes all points on the line. We also find three new families of polarization singularities whose members include all polarization ellipses. The recently described polarization singularity democracy in two-dimensional fields evidently explodes into polarization singularity anarchy in three-dimensional fields.

  9. Exploring Science Through Polar Exploration

    Science.gov (United States)

    Pfirman, S. L.; Bell, R. E.; Zadoff, L.; Kelsey, R.

    2003-12-01

    Exploring the Poles is a First Year Seminar course taught at Barnard College, Columbia University. First Year Seminars are required of incoming students and are designed to encourage critical analysis in a small class setting with focused discussion. The class links historical polar exploration with current research in order to: introduce non-scientists to the value of environmental science through polar literature; discuss issues related to venturing into the unknown that are of relevance to any discipline: self-reliance, leadership, preparation, decisions under uncertainty; show students the human face of science; change attitudes about science and scientists; use data to engage students in exploring/understanding the environment and help them learn to draw conclusions from data; integrate research and education. These goals are met by bringing analysis of early exploration efforts together with a modern understanding of the polar environment. To date to class has followed the efforts of Nansen in the Fram, Scott and Amundsen in their race to the pole, and Shackleton's Endurance. As students read turn-of-the-century expedition journals, expedition progress is progressively revealed on an interactive map showing the environmental context. To bring the exploration process to life, students are assigned to expedition teams for specific years and the fates of the student "expeditions" are based on their own decisions. For example, in the Arctic, they navigate coastal sea ice and become frozen into the ice north of Siberia, re-creating Nansen's polar drift. Fates of the teams varied tremendously: some safely emerged at Fram Strait in 4 years, while others nearly became hopelessly lost in the Beaufort Gyre. Students thus learn about variability in the current polar environment through first hand experience, enabling them to appreciate the experiences, decisions, and, in some cases, the luck, of polar explorers. Evaluation by the Columbia Center for New Media, Teaching

  10. Radioactive Waste Management Basis

    International Nuclear Information System (INIS)

    Perkins, B.K.

    2009-01-01

    The purpose of this Radioactive Waste Management Basis is to describe the systematic approach for planning, executing, and evaluating the management of radioactive waste at LLNL. The implementation of this document will ensure that waste management activities at LLNL are conducted in compliance with the requirements of DOE Order 435.1, Radioactive Waste Management, and the Implementation Guide for DOE Manual 435.1-1, Radioactive Waste Management Manual. Technical justification is provided where methods for meeting the requirements of DOE Order 435.1 deviate from the DOE Manual 435.1-1 and Implementation Guide.

  11. Molecular polarization potential maps of the nucleic acid bases

    International Nuclear Information System (INIS)

    Alkorta, I.; Perez, J.J.

    1996-01-01

    Ab initio calculations at the SCF level were carried out to compute the polarization potential map NM of the nucleic acid bases: cytosine, thymine, uracil, adedine, and guanine. For this purpose, the Dunning's 9s5p basis set contracted to a split-valence, was selected to perform the calculations. The molecular polarization potential (MPP) at each point was evaluated by the difference between the interaction energy of the molecule with a unit point charge and the molecular electrostatic potential (MEP) at that point. MEPS and MPPS for the different molecules were computed with a density of 5 points/Angstrom 2 on the van der Waals surface of each molecule, defined using the van der Waals radii. Due to the symmetry of the molecules, only half the points were computed. The total number of points calculated was 558 for cytosine, 621 for thymine, 526 for uracil, 666 for adenine, and 699 for guanine. The results of these calculations are analyzed in terms of their implications on the molecular interactions between pairs of nucleic acid bases. 23 refs., 5 figs., 1 tab

  12. Molecular basis for mitochondrial signaling

    CERN Document Server

    2017-01-01

    This book covers recent advances in the study of structure, function, and regulation of metabolite, protein and ion translocating channels, and transporters in mitochondria. A wide array of cutting-edge methods are covered, ranging from electrophysiology and cell biology to bioinformatics, as well as structural, systems, and computational biology. At last, the molecular identity of two important channels in the mitochondrial inner membrane, the mitochondrial calcium uniporter and the mitochondrial permeability transition pore have been established. After years of work on the physiology and structure of VDAC channels in the mitochondrial outer membrane, there have been multiple discoveries on VDAC permeation and regulation by cytosolic proteins. Recent breakthroughs in structural studies of the mitochondrial cholesterol translocator reveal a set of novel unexpected features and provide essential clues for defining therapeutic strategies. Molecular Basis for Mitochondrial Signaling covers these and many more re...

  13. Effect of light source parameters on the polarization properties of the beam

    Science.gov (United States)

    Liu, Dan; Liu, Yan; Jiang, Hui-lin; Liu, Zhi; Zhou, Xin; Fang, Hanhan

    2013-08-01

    Polarized laser has been widely used in free space optical communication, laser radar, and laser ranging system because of its advantages of good performance in recent years. The changes of laser polarization properties in the process of transmission in atmospheric turbulence have a certain impact on the system performance. The paper research on the rule of polarization properties changes of Gauss Schell model beam in turbulent conditions. And analysis the main factors to affect the polarization properties by numerical simulation using MATLAB software tools. The factors mainly including: initial polarization, coherence coefficient, spot size and the intensity of the atmospheric turbulent. The simulation results show that, the degree of polarization will converge to the initial polarization when the beam propagation in turbulent conditions. The degrees of polarization change to different value when initial polarization of beam is different in a short distance. And, the degrees of polarization converge to the initial polarization after long distance. Beam coherence coefficient bigger, the degree of polarization and change range increases bigger. The change of polarization more slowly for spot size is bigger. The change of polarization change is faster for longer wavelength. The conclusion of the study indicated that the light source parameters effect the changes of polarization properties under turbulent conditions. The research provides theory basis for the polarization properties of the laser propagation, and it will plays a significant role in optical communication and target recognition.

  14. Polarized atomic beams for targets

    International Nuclear Information System (INIS)

    Grueebler, W.

    1984-01-01

    The basic principle of the production of polarized atomic hydrogen and deuterium beams are reviewed. The status of the present available polarization, density and intensity are presented. The improvement of atomic beam density by cooling the hydrogen atoms to low velocity is discussed. The possible use of polarized atomic beams as targets in storage rings is shown. It is proposed that polarized atomic beams can be used to produce polarized gas targets with high polarization and greatly improved density

  15. Polarized scintillator targets

    Science.gov (United States)

    van den Brandt, B.; Bunyatova, E. I.; Hautle, P.; Konter, J. A.; Mango, S.

    2000-05-01

    The hydrogen nuclei in an organic scintillator have been polarized to more than 80% and the deuterons in its fully deuterated version to 24%. The scintillator, doped with TEMPO, has been polarized dynamically in a field of 2.5 T in a vertical dilution refrigerator in which a plastic lightguide transports the scintillation light from the sample in the mixing chamber to a photomultiplier outside the cryostat. Sizeable solid samples with acceptable optical properties and light output have been prepared and successfully operated as "live" polarized targets in nuclear physics experiments.

  16. Polarized scintillator targets

    Energy Technology Data Exchange (ETDEWEB)

    Brandt, B. van den E-mail: vandenbrandt@psi.ch; Bunyatova, E.I.; Hautle, P.; Konter, J.A.; Mango, S

    2000-05-21

    The hydrogen nuclei in an organic scintillator have been polarized to more than 80% and the deuterons in its fully deuterated version to 24%. The scintillator, doped with TEMPO, has been polarized dynamically in a field of 2.5 T in a vertical dilution refrigerator in which a plastic lightguide transports the scintillation light from the sample in the mixing chamber to a photomultiplier outside the cryostat. Sizeable solid samples with acceptable optical properties and light output have been prepared and successfully operated as 'live' polarized targets in nuclear physics experiments.

  17. Heidelberg polarized alkali source

    International Nuclear Information System (INIS)

    Kraemer, D.; Steffens, E.; Jaensch, H.; Philipps Universitaet, Marburg, Germany)

    1984-01-01

    A new atomic beam type polarized alkali ion source has been installed at Heidelberg. In order to improve the beam polarization considerably optical pumping is applied in combination with an adiabatic medium field transition which results in beams in single hyperfine sublevels. The m state population is determined by laser-induced fluorescence spectroscopy. Highly polarized beams (P/sub s/ > 0.9, s = z, zz) with intensities of 30 to 130 μA can be extracted for Li + and Na + , respectively

  18. Polarization measurement in the COMPASS polarized target

    CERN Document Server

    Kondo, K; Baum, G; Berglund, P; Doshita, N; Gautheron, F; Görtz, S; Hasegawa, T; Horikawa, N; Ishimoto, S; Iwata, T; Kisselev, Yu V; Koivuniemi, J H; Le Goff, J M; Magnon, A; Meyer, W; Reicherz, G; Matsuda, T

    2004-01-01

    Continuous wave nuclear magnetic resonance (NMR) is used to determine the target polarization in the COMPASS experiment. The system is made of the so-called Liverpool Q-meters, Yale-cards, and VME modules for data taking and system controlling. In 2001 the NMR coils were embedded in the target material, while in 2002 and 2003 the coils were mounted on the outer surface of the target cells to increase the packing factor of the material. Though the error of the measurement became larger with the outer coils than with the inner coils, we have performed stable measurements throughout the COMPASS run time for 3 years. The maximum polarization was +57% and -53% as the average in the target cells.

  19. Unbiased determination of polarized parton distributions and their uncertainties

    CERN Document Server

    Ball, Richard D.; Guffanti, Alberto; Nocera, Emanuele R.; Ridolfi, Giovanni; Rojo, Juan

    2013-01-01

    We present a determination of a set of polarized parton distributions (PDFs) of the nucleon, at next-to-leading order, from a global set of longitudinally polarized deep-inelastic scattering data: NNPDFpol1.0. The determination is based on the NNPDF methodology: a Monte Carlo approach, with neural networks used as unbiased interpolants, previously applied to the determination of unpolarized parton distributions, and designed to provide a faithful and statistically sound representation of PDF uncertainties. We present our dataset, its statistical features, and its Monte Carlo representation. We summarize the technique used to solve the polarized evolution equations and its benchmarking, and the method used to compute physical observables. We review the NNPDF methodology for parametrization and fitting of neural networks, the algorithm used to determine the optimal fit, and its adaptation to the polarized case. We finally present our set of polarized parton distributions. We discuss its statistical properties, ...

  20. [Research on the Thermal Infrared Polarization Properties of Fresh Snow].

    Science.gov (United States)

    Wang, Ting-ting; Li, Zhao-liang; Tang, Bo-hui; Sun, Wei-qi; Zhao, Yun-sheng

    2015-07-01

    Snow can directly affect the surface energy balance and climate change and has a significant impact on human life and production. It is therefore of great significance to study the fresh snow emission spectroscopy properties by using the thermal infrared Polarization technique. This can provide a basis for quantitative thermal infrared remote sensing monitoring of snow as well as a deeper understanding of global warming and appropriate countermeasures. This paper focuses on the investigation of the thermal infrared polarization properties of the fresh snow. The results show that the thermal emissive polarization properties of fresh snow depend significantly on the wavelengths (channels) and view angles used to measure them. Four channels are considered in this study, their spectral response ranges are 8-14 microm for channel 1 (CH1), 11.5-12.5 microm for channel 2 (CH2), 10.3-11.5 microm for channel 3 (CH) and 8.2-9.2 microm for channel 4 (CH4). The snow polarized radiance (L) and its polarized brightness temperature (T) manifest as L(CH1) >L(CH3) > L(CH4) > L(CH2) and T(CH4) > T(CH1) > T(CH2) > TCH3, respectively, while the degree of polarization (P) manifests as P0 > P30 > P40 > P20 > P0 > P50 where the subscript of P denotes the view angle. The maximum of both L and T occurs at the view angle of 50 degree and polarization angle of 90 degree while their minimum appears at the view angle of 30 degree and polarization angle of 75 degree for each channel. In addition, the results show that: CH3 is more appropriate for better investigation of the emissive polarization properties of snow. Linear relationship is found between the fresh snow polarized T and the polarization angle with the coefficient of determination larger than 0.77 for all four channels. The polarized brightness temperature of the fresh snow is found to be increased about 0.003 K per polarization angle within 0-135 degree. The degree of polarization of snow is almost independent of the channels we

  1. WEST Physics Basis

    Science.gov (United States)

    Bourdelle, C.; Artaud, J. F.; Basiuk, V.; Bécoulet, M.; Brémond, S.; Bucalossi, J.; Bufferand, H.; Ciraolo, G.; Colas, L.; Corre, Y.; Courtois, X.; Decker, J.; Delpech, L.; Devynck, P.; Dif-Pradalier, G.; Doerner, R. P.; Douai, D.; Dumont, R.; Ekedahl, A.; Fedorczak, N.; Fenzi, C.; Firdaouss, M.; Garcia, J.; Ghendrih, P.; Gil, C.; Giruzzi, G.; Goniche, M.; Grisolia, C.; Grosman, A.; Guilhem, D.; Guirlet, R.; Gunn, J.; Hennequin, P.; Hillairet, J.; Hoang, T.; Imbeaux, F.; Ivanova-Stanik, I.; Joffrin, E.; Kallenbach, A.; Linke, J.; Loarer, T.; Lotte, P.; Maget, P.; Marandet, Y.; Mayoral, M. L.; Meyer, O.; Missirlian, M.; Mollard, P.; Monier-Garbet, P.; Moreau, P.; Nardon, E.; Pégourié, B.; Peysson, Y.; Sabot, R.; Saint-Laurent, F.; Schneider, M.; Travère, J. M.; Tsitrone, E.; Vartanian, S.; Vermare, L.; Yoshida, M.; Zagorski, R.; Contributors, JET

    2015-06-01

    With WEST (Tungsten Environment in Steady State Tokamak) (Bucalossi et al 2014 Fusion Eng. Des. 89 907-12), the Tore Supra facility and team expertise (Dumont et al 2014 Plasma Phys. Control. Fusion 56 075020) is used to pave the way towards ITER divertor procurement and operation. It consists in implementing a divertor configuration and installing ITER-like actively cooled tungsten monoblocks in the Tore Supra tokamak, taking full benefit of its unique long-pulse capability. WEST is a user facility platform, open to all ITER partners. This paper describes the physics basis of WEST: the estimated heat flux on the divertor target, the planned heating schemes, the expected behaviour of the L-H threshold and of the pedestal and the potential W sources. A series of operating scenarios has been modelled, showing that ITER-relevant heat fluxes on the divertor can be achieved in WEST long pulse H-mode plasmas.

  2. ITER technical basis

    International Nuclear Information System (INIS)

    2002-01-01

    Following on from the Final Report of the EDA(DS/21), and the summary of the ITER Final Design report(DS/22), the technical basis gives further details of the design of ITER. It is in two parts. The first, the Plant Design specification, summarises the main constraints on the plant design and operation from the viewpoint of engineering and physics assumptions, compliance with safety regulations, and siting requirements and assumptions. The second, the Plant Description Document, describes the physics performance and engineering characteristics of the plant design, illustrates the potential operational consequences foe the locality of a generic site, gives the construction, commissioning, exploitation and decommissioning schedule, and reports the estimated lifetime costing based on data from the industry of the EDA parties

  3. Dynamic nuclear spin polarization

    Energy Technology Data Exchange (ETDEWEB)

    Stuhrmann, H.B. [GKSS-Forschungszentrum Geesthacht GmbH (Germany)

    1996-11-01

    Polarized neutron scattering from dynamic polarized targets has been applied to various hydrogenous materials at different laboratories. In situ structures of macromolecular components have been determined by nuclear spin contrast variation with an unprecedented precision. The experiments of selective nuclear spin depolarisation not only opened a new dimension to structural studies but also revealed phenomena related to propagation of nuclear spin polarization and the interplay of nuclear polarisation with the electronic spin system. The observation of electron spin label dependent nuclear spin polarisation domains by NMR and polarized neutron scattering opens a way to generalize the method of nuclear spin contrast variation and most importantly it avoids precontrasting by specific deuteration. It also likely might tell us more about the mechanism of dynamic nuclear spin polarisation. (author) 4 figs., refs.

  4. Time Domain Induced Polarization

    DEFF Research Database (Denmark)

    Fiandaca, Gianluca; Auken, Esben; Christiansen, Anders Vest

    2012-01-01

    Time-domain-induced polarization has significantly broadened its field of reference during the last decade, from mineral exploration to environmental geophysics, e.g., for clay and peat identification and landfill characterization. Though, insufficient modeling tools have hitherto limited the use...... of time-domaininduced polarization for wider purposes. For these reasons, a new forward code and inversion algorithm have been developed using the full-time decay of the induced polarization response, together with an accurate description of the transmitter waveform and of the receiver transfer function......%. Furthermore, the presence of low-pass filters in time-domain-induced polarization instruments affects the early times of the acquired decays (typically up to 100 ms) and has to be modeled in the forward response to avoid significant loss of resolution. The developed forward code has been implemented in a 1D...

  5. Polarized proton colliders

    International Nuclear Information System (INIS)

    Roser, T.

    1995-01-01

    High energy polarized beam collisions will open up the unique physics opportunities of studying spin effects in hard processes. This will allow the study of the spin structure of the proton and also the verification of the many well documented expectations of spin effects in perturbative QCD and parity violation in W and Z production. Proposals for polarized proton acceleration for several high energy colliders have been developed. A partial Siberian Snake in the AGS has recently been successfully tested and full Siberian Snakes, spin rotators, and polarimeters for RHIC are being developed to make the acceleration of polarized beams to 250 GeV possible. This allows for the unique possibility of colliding two 250 GeV polarized proton beams at luminosities of up to 2 x 10 32 cm -2 s -1

  6. Towards an International Polar Data Coordination Network

    NARCIS (Netherlands)

    Pulsifer, P.L.; Yarmey, L.; Godøy, O.; Friddell, J.; Parsons, M.; Vincent, W.F.; de Bruin, T.F.; Manley, W.; Gaylord, A.; Hayes, A.; Nickels, S.; Tweedy, C.; Larsen, J.R.; Huck, J.

    2014-01-01

    Data management is integral to sound polar science. Through analysis of documents reporting on meetings of the Arctic data management community, a set of priorities and strategies are identified. These include the need to improve data sharing, make use of existing resources, and better engage

  7. Plasma polarization spectroscopy

    International Nuclear Information System (INIS)

    Iwamae, Atsushi; Horimoto, Yasuhiro; Fujimoto, Takashi; Hasegawa, Noboru; Sukegawa, Kouta; Kawachi, Tetsuya

    2005-01-01

    The electron velocity distribution function (EVDF) in plasma can be anisotropic in laser-produced plasmas. We have developed a new technique to evaluate the polarization degree of the emission lines in the extreme vacuum ultra violet wavelength region. The polarization of the emission lines and the continuums from the lithium-like nitrogen and from helium- and hydrogen-like carbon in recombining plasma is evaluated. Particle simulation in the velocity space gives the time scale for relaxation of anisotropic EVDFs. (author)

  8. Ultracold Polar Molecules

    Science.gov (United States)

    2016-04-01

    AFRL-AFOSR-UK-TR-2016-0005 Ultracold Polar Molecules Jeremy Hutson UNIVERSITY OF DURHAM Final Report 04/01/2016 DISTRIBUTION A: Distribution approved...DATES COVERED (From - To) 15-Jan-2010 to 14-Jul-2015 4. TITLE AND SUBTITLE Final Report on Grant FA8655-10-1-3033 on Ultracold Polar Molecules 5a...formation of ultracold 87RbCs molecules in their rovibrational ground state by magnetoassociation followed by STIRAP, resulting in 14 papers acknowledging

  9. Diffusion equation and spin drag in spin-polarized transport

    DEFF Research Database (Denmark)

    Flensberg, Karsten; Jensen, Thomas Stibius; Mortensen, Asger

    2001-01-01

    We study the role of electron-electron interactions for spin-polarized transport using the Boltzmann equation, and derive a set of coupled transport equations. For spin-polarized transport the electron-electron interactions are important, because they tend to equilibrate the momentum of the two-s...

  10. Wien filter for a polarized ions source

    International Nuclear Information System (INIS)

    Perez A, P.I.

    1977-01-01

    In order to carry out investigation works about nuclear structure, the Nuclear Center of Mexico has an accelerator Tandem Van de Graff of 12 Mv. Now in this center there is a polarized ions source, in a setting phase, totally constructed in the workshop of the accelerator. This source, supplies an ion beam with a polarization whose propagation direction is not the adequate one for the dispersion and reaction processes wanted to be realized. A filter Wien was used to obtain the correct direction of the polarization vector. The purpose of this work is the study of the filter necessary conditions in order to reach the desirable objective. In the first part some generalities are given about: polarization phenomena, polarized ions source and description of the performance of the Wien filter. In the second part, the problem of the passage of a polarized beam through the filter is tried and solved. Finally, the design and construction of the filter is presented together with the results of the experimentation with the object to justify the suppositions which were taken into consideration in the solution of the filter problem. (author)

  11. Hsp Polarization Verification

    Science.gov (United States)

    Bless, Robert

    1991-07-01

    This proposal defines the procedure for determining the instrumental polarization of the polarimetric IDT (IDT#1, POL) on the HSP. 1 of 2 unpolarized standard stars wil be observed using various filter-polarizer combinations. These observations will permit the instrumental polarization to be calibrated. The instrumental polarization must be determined to a high precision in order to vectoriallly remove it from HSP polarization observations to determine the actual astronomical polarization. Final run of proposal will look at one of 2 possible stars previously observed to get another look at the throughput. Revision History: Mark H. Slovak 8/30/88 Translated to V2 proposal instructions (RPSS V6.2) S. Laurent 1/20/89 Updated: Sally Laurent 2/24/89, 3/20/89, 4/13/89, 5/12/89 Modified: P. Stanley 1/15/90 - change to use CTA selected targets only; Fixes for aberration problem - SALM 7/30/90; Based on SV/HSP 1386. New submission changed targets and revised scheduling strategy. Revised: 26 Aug 92 J. Dolan, L. Walter, P. Reppert want to re-run the proposal (3985) one last time to bring down errors.

  12. Polarized Light Microscopy

    Science.gov (United States)

    Frandsen, Athela F.

    2016-01-01

    Polarized light microscopy (PLM) is a technique which employs the use of polarizing filters to obtain substantial optical property information about the material which is being observed. This information can be combined with other microscopy techniques to confirm or elucidate the identity of an unknown material, determine whether a particular contaminant is present (as with asbestos analysis), or to provide important information that can be used to refine a manufacturing or chemical process. PLM was the major microscopy technique in use for identification of materials for nearly a century since its introduction in 1834 by William Fox Talbot, as other techniques such as SEM (Scanning Electron Microscopy), FTIR (Fourier Transform Infrared spectroscopy), XPD (X-ray Powder Diffraction), and TEM (Transmission Electron Microscopy) had not yet been developed. Today, it is still the only technique approved by the Environmental Protection Agency (EPA) for asbestos analysis, and is often the technique first applied for identification of unknown materials. PLM uses different configurations in order to determine different material properties. With each configuration additional clues can be gathered, leading to a conclusion of material identity. With no polarizing filter, the microscope can be used just as a stereo optical microscope, and view qualities such as morphology, size, and number of phases. With a single polarizing filter (single polars), additional properties can be established, such as pleochroism, individual refractive indices, and dispersion staining. With two polarizing filters (crossed polars), even more can be deduced: isotropy vs. anisotropy, extinction angle, birefringence/degree of birefringence, sign of elongation, and anomalous polarization colors, among others. With the use of PLM many of these properties can be determined in a matter of seconds, even for those who are not highly trained. McCrone, a leader in the field of polarized light microscopy, often

  13. A remanent Fe/Si supermirror transmission polarizer

    CERN Document Server

    Stahn, J

    2002-01-01

    In order to develop a neutron spin polarizer on the basis of magnetically remanent supermirrors, we produced a first Fe/Si supermirror (m=2, q=0.044 A sup - sup 1) giving polarizations of 96% to 98%. The addition of the reactive gases O sub 2 and N sub 2 to Si reduced the stress in the supermirror and improved the matching of Si and Fe for spin-down neutrons. (orig.)

  14. Orthogonal polynomials describing polarization aberration for rotationally symmetric optical systems.

    Science.gov (United States)

    Xu, Xiangru; Huang, Wei; Xu, Mingfei

    2015-10-19

    Optical lithography has approached a regime of high numerical aperture and wide field, where the impact of polarization aberration on imaging quality turns to be serious. Most of the existing studies focused on the distribution rule of polarization aberration on the pupil, and little attention had been paid to the field. In this paper, a new orthonormal set of polynomials is established to describe the polarization aberration of rotationally symmetric optical systems. The polynomials can simultaneously reveal the distribution rules of polarization aberration on the exit pupil and the field. Two examples are given to verify the polynomials.

  15. Julia Sets of Orthogonal Polynomials

    DEFF Research Database (Denmark)

    Christiansen, Jacob Stordal; Henriksen, Christian; Petersen, Henrik Laurberg

    2018-01-01

    For a probability measure with compact and non-polar support in the complex plane we relate dynamical properties of the associated sequence of orthogonal polynomials fPng to properties of the support. More precisely we relate the Julia set of Pn to the outer boundary of the support, the lled Julia...... set to the polynomial convex hull K of the support, and the Green's function associated with Pn to the Green's function for the complement of K....

  16. Reduction of polarization-fluctuation induced drift in resonator fiber optic gyro by a resonator with twin 90 degrees polarization-axis rotated splices.

    Science.gov (United States)

    Wang, Xijing; He, Zuyuan; Hotate, Kazuo

    2010-01-18

    A method to suppress polarization-fluctuation induced drift in resonator fiber optic gyro (R-FOG) is demonstrated by a polarization-maintaining fiber (PMF) resonator with twin 90 degrees polarization-axis rotated splices. By setting the length difference of the fiber segments between two 90 degrees polarization-axis rotated splicing points to a half of the beat-length of the fiber, a single eigen-state of polarization (ESOP) is excited with incident lightwave linearly polarized along the polarization-axis of the fiber. Compared to the previously reported resonator employing single 90 degrees polarization-axis rotated splice [1], in which two ESOPs are excited, our new scheme avoids the effect from the unwanted ESOP and thus suppresses the polarization-fluctuation induced drift in R-FOG output significantly.

  17. The evolution of tensor polarization

    International Nuclear Information System (INIS)

    Huang, H.; Lee, S.Y.; Ratner, L.

    1993-01-01

    By using the equation of motion for the vector polarization, the spin transfer matrix for spin tensor polarization, the spin transfer matrix for spin tensor polarization is derived. The evolution equation for the tensor polarization is studied in the presence of an isolate spin resonance and in the presence of a spin rotor, or snake

  18. Nimbus-7 SMMR Polar Gridded Radiances and Sea Ice Concentrations

    Data.gov (United States)

    National Aeronautics and Space Administration — This data set contains gridded brightness temperatures and sea ice concentrations for both polar regions. It spans the period from October 1978 through August 1987,...

  19. Towards an International Polar Data Coordination Network

    Directory of Open Access Journals (Sweden)

    P L Pulsifer

    2014-10-01

    Full Text Available Data management is integral to sound polar science. Through analysis of documents reporting on meetings of the Arctic data management community, a set of priorities and strategies are identified. These include the need to improve data sharing, make use of existing resources, and better engage stakeholders. Network theory is applied to a preliminary inventory of polar and global data management actors to improve understanding of the emerging community of practice. Under the name the Arctic Data Coordination Network, we propose a model network that can support the community in achieving their goals through improving connectivity between existing actors.

  20. Polarized Electrons at Jefferson Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Sinclair, C.K.

    1997-12-31

    The CEBAF accelerator at Jefferson laboratory can deliver CW electron beams to three experimental halls simultaneously. A large fraction of the approved scientific program at the lab requires polarized electron beams. Many of these experiments, both polarized and unpolarized, require high average beam current as well. Since all electrons delivered to the experimental halls originate from the same cathode, delivery of polarized beam to a single hall requires using the polarized source to deliver beam to all experiments in simultaneous operation. The polarized source effort at Jefferson Lab is directed at obtaining very long polarized source operational lifetimes at high average current and beam polarization; at developing the capability to deliver all electrons leaving the polarized source to the experimental halls; and at delivering polarized beam to multiple experimental halls simultaneously.initial operational experience with the polarized source will be presented.

  1. Polarized electrons at Jefferson laboratory

    International Nuclear Information System (INIS)

    The CEBAF accelerator at Jefferson laboratory can deliver CW electron beams to three experimental halls simultaneously. A large fraction of the approved scientific program at the lab requires polarized electron beams. Many of these experiments, both polarized and unpolarized, require high average beam current as well. Since all electrons delivered to the experimental halls originate from the same cathode, delivery of polarized beam to a single hall requires using the polarized source to deliver beam to all experiments in simultaneous operation. The polarized source effort at Jefferson Lab is directed at obtaining very long polarized source operational lifetimes at high average current and beam polarization; at developing the capability to deliver all electrons leaving the polarized source to the experimental halls; and at delivering polarized beam to multiple experimental halls simultaneously. Initial operational experience with the polarized source will be presented

  2. Polar low monitoring

    Science.gov (United States)

    Bobylev, Leonid; Zabolotskikh, Elizaveta; Mitnik, Leonid

    2010-05-01

    Polar lows are intense mesoscale atmospheric low pressure weather systems, developing poleward of the main baroclinic zone and associated with high surface wind speeds. Small size and short lifetime, sparse in-situ observations in the regions of their development complicate polar low study. Our knowledge of polar lows and mesocyclones has come almost entirely during the period of satellite remote sensing since, by virtue of their small horizontal scale, it was rarely possible to analyse these lows on conventional weather charts using only the data from the synoptic observing network. However, the effects of intense polar lows have been felt by coastal communities and seafarers since the earliest times. These weather systems are thought to be responsible for the loss of many small vessels over the centuries, although the nature of the storms was not understood and their arrival could not be predicted. The actuality of the polar low research is stipulated by their high destructive power: they are a threat to such businesses as oil and gas exploration, fisheries and shipping. They could worsen because of global warming: a shrinking of sea ice around the North Pole, which thawed to its record minimum in the summer of 2007, is likely to give rise to more powerful storms that form only over open water and can cause hurricane-strength winds. Therefore, study of polar lows, their timely detection, tracking and forecasting represents a challenge for today meteorology. Satellite passive microwave data, starting from Special Sensor Microwave Imager (SSM/I) onboard Defense Meteorological Satellite Program (DMSP) satellite, remain invaluable source of regularly available remotely sensed data to study polar lows. The sounding in this spectral range has several advantages in comparison with observations in visible and infrared ranges and Synthetic Aperture Radar (SAR) data: independence on day time and clouds, regularity and high temporal resolution in Polar Regions. Satellite

  3. Automatic sets and Delone sets

    International Nuclear Information System (INIS)

    Barbe, A; Haeseler, F von

    2004-01-01

    Automatic sets D part of Z m are characterized by having a finite number of decimations. They are equivalently generated by fixed points of certain substitution systems, or by certain finite automata. As examples, two-dimensional versions of the Thue-Morse, Baum-Sweet, Rudin-Shapiro and paperfolding sequences are presented. We give a necessary and sufficient condition for an automatic set D part of Z m to be a Delone set in R m . The result is then extended to automatic sets that are defined as fixed points of certain substitutions. The morphology of automatic sets is discussed by means of examples

  4. Polarized protons at RHIC

    International Nuclear Information System (INIS)

    Tannenbaum, M.J.

    1990-12-01

    The Physics case is presented for the use of polarized protons at RHIC for one or two months each year. This would provide a facility with polarizations of approx-gt 50% high luminosity ∼2.0 x 10 32 cm -2 s -1 , the possibility of both longitudinal and transverse polarization at the interaction regions, and frequent polarization reversal for control of systematic errors. The annual integrated luminosity for such running (∼10 6 sec per year) would be ∫ Ldt = 2 x 10 38 cm -2 -- roughly 20 times the total luminosity integrated in ∼ 10 years of operation of the CERN Collider (∼10 inverse picobarns, 10 37 cm -2 ). This facility would be unique in the ability to perform parity-violating measurements and polarization test of QCD. Also, the existence of p-p collisions in a new energy range would permit the study of ''classical'' reactions like the total cross section and elastic scattering, etc., and serve as a complement to measurements from p-bar p colliders. 11 refs

  5. The Bochum Polarized Target

    International Nuclear Information System (INIS)

    Reicherz, G.; Goertz, S.; Harmsen, J.; Heckmann, J.; Meier, A.; Meyer, W.; Radtke, E.

    2001-01-01

    The Bochum 'Polarized Target' group develops the target material 6 LiD for the COMPASS experiment at CERN. Several different materials like alcohols, alcanes and ammonia are under investigation. Solid State Targets are polarized in magnetic fields higher than B=2.5T and at temperatures below T=1K. For the Dynamic Nuclear Polarization process, paramagnetic centers are induced chemically or by irradiation with ionizing beams. The radical density is a critical factor for optimization of polarization and relaxation times at adequate magnetic fields and temperatures. In a high sensitive EPR--apparatus, an evaporator and a dilution cryostat with a continuous wave NMR--system, the materials are investigated and optimized. To improve the polarization measurement, the Liverpool NMR-box is modified by exchanging the fixed capacitor for a varicap diode which not only makes the tuning very easy but also provides a continuously tuned circuit. The dependence of the signal area upon the circuit current is measured and it is shown that it follows a linear function

  6. In-line Fiber Polarizer

    OpenAIRE

    Perumalsamy, Priya

    1998-01-01

    Polarizers and polarization devices are important components in fiber optic communication and sensor systems. There is a growing need for efficient low loss components that are compatible with optical fibers. An all fiber in-line polarizer is a more desirable alternative that could be placed at appropriate intervals along communication links. An in-line fiber polarizer was fabricated and tested. The in-line fiber polarizer operates by coupling optical energy propagatin...

  7. Which basis? Which image?

    Directory of Open Access Journals (Sweden)

    Cristina Càndito

    2012-06-01

    Full Text Available The digital revolution poses several questions to scholars of architectural representation. It is now difficult to speak of Geometry, because we have to distinguish between various geometries , and we can expand the potential construction of topology  and form finding of parametric relationships. It also raises the question about the current function of Drawing: from the undisputed foundation of the arts, in fact, drawing can now be replaced by images obtained by a process that often begins with the construction of a 3D model, then coated with materials and inserted in an existing or imagined setting that provides light sources. This process has strong similarities with the traditional artistic practices denouncing a foundation in their roots in contrast to its revolutionary potential.

  8. Some isomorphic properties ofm-polar fuzzy graphs with applications.

    Science.gov (United States)

    Ghorai, Ganesh; Pal, Madhumangal

    2016-01-01

    The theory of graphs are very useful tool in solving the combinatorial problems in different areas of computer science and computational intelligence systems. In this paper, we present a frame work to handle m -polar fuzzy information by combining the theory of m -polar fuzzy sets with graphs. We introduce the notion of weak self complement m -polar fuzzy graphs and establish a necessary condition for m -polar fuzzy graph to be weak self complement. Some properties of self complement and weak self complement m -polar fuzzy graphs are discussed. The order, size, busy vertices and free vertices of an m -polar fuzzy graphs are also defined and proved that isomorphic m -polar fuzzy graphs have same order, size and degree. Also, we have presented some results of busy vertices in isomorphic and weak isomorphic m -polar fuzzy graphs. Finally, a relative study of complement and operations on m -polar fuzzy graphs have been made. Applications of m -polar fuzzy graph are also given at the end.

  9. Political Competition and Polarization

    DEFF Research Database (Denmark)

    Schultz, Christian

    This paper considers political competition and the consequences of political polarization when parties are better informed about how the economy functions than voters are. Specifically, parties know the cost producing a public good, voters do not. An incumbent's choice of policy acts like a signa...... for costs before an upcoming election. It is shown that the more polarized the political parties the more distorted the incumbent's policy choice.......This paper considers political competition and the consequences of political polarization when parties are better informed about how the economy functions than voters are. Specifically, parties know the cost producing a public good, voters do not. An incumbent's choice of policy acts like a signal...

  10. Physics of polarized targets

    CERN Document Server

    Niinikoski, Tapio

    2014-01-01

    For developing, building and operating solid polarized targets we need to understand several fields of physics that have seen sub stantial advances during the last 50 years. W e shall briefly review a selection of those that are important today. These are: 1) quantum statistical methods to describe saturation and relaxation in magnetic resonance; 2) equal spin temperature model for dy namic nuclear polarization; 3 ) weak saturation during NMR polarization measurement; 4 ) refrigeration using the quantum fluid properties of helium isotopes. These, combined with superconducting magnet technologies, permit today to reach nearly complete pola rization of almost any nuclear spins. Targets can be operated in frozen spin mode in rather low and inhomogeneous field of any orientation, and in DNP mode in beams of high intensity. Beyond such experiments of nuclear and particle physics, applications a re also emerging in macromolecular chemistry and in magnetic resonance imaging. This talk is a tribute to Michel Borghini...

  11. No More Polarization, Please!

    DEFF Research Database (Denmark)

    Hansen, Mia Reinholt

    The organizational science literature on motivation has for long been polarized into two main positions; the organizational economic position focusing on extrinsic motivation and the organizational behavior position emphasizing intrinsic motivation. With the rise of the knowledge economy...... and the increasing levels of complexities it entails, such polarization is not fruitful in the attempt to explain motivation of organizational members. This paper claims that a more nuanced perspective on motivation, acknowledging the co-existence of intrinsic and extrinsic motivation, the possible interaction...... between the two as well as different types of motivations filling in the gap between the two polar types, is urgently needed in the organizational science literature. By drawing on the research on intrinsic and extrinsic motivation conducted in social psychology and combining this with contributions from...

  12. Polarized source upgrading

    International Nuclear Information System (INIS)

    Clegg, T.B.; Rummel, R.L.; Carter, E.P.; Westerfeldt, C.R.; Lovette, A.W.; Edwards, S.E.

    1985-01-01

    The decision was made this past year to move the Lamb-shift polarized ion source which was first installed in the laboratory in 1970. The motivation was the need to improve the flexibility of spin-axis orientation by installing the ion source with a new Wien-filter spin precessor which is capable of rotating physically about the beam axis. The move of the polarized source was accomplished in approximately two months, with the accelerator being turned off for experiments during approximately four weeks of this time. The occasion of the move provided the opportunity to rewire completely the entire polarized ion source frame and to rebuild approximately half of the electronic chassis on the source. The result is an ion source which is now logically wired and carefully documented. Beams obtained from the source are much more stable than those previously available

  13. A lunar polar expedition

    Science.gov (United States)

    Dowling, Richard; Staehle, Robert L.; Svitek, Tomas

    1992-09-01

    Advanced exploration and development in harsh environments require mastery of basic human survival skill. Expeditions into the lethal climates of Earth's polar regions offer useful lessons for tommorrow's lunar pioneers. In Arctic and Antarctic exploration, 'wintering over' was a crucial milestone. The ability to establish a supply base and survive months of polar cold and darkness made extensive travel and exploration possible. Because of the possibility of near-constant solar illumination, the lunar polar regions, unlike Earth's may offer the most hospitable site for habitation. The World Space Foundation is examining a scenario for establishing a five-person expeditionary team on the lunar north pole for one year. This paper is a status report on a point design addressing site selection, transportation, power, and life support requirements.

  14. Crop Classification by Multitemporal C- and L-Band Single- and Dual-Polarization and Fully Polarimetric SAR

    DEFF Research Database (Denmark)

    Skriver, Henning

    2012-01-01

    Classification of crops and other land cover types is an important application of both optical/infrared and synthetic aperture radar (SAR) satellite data. It is already an import application of present satellite systems, as it will be for planned missions, such as the Sentinels. A multitemporal...... data set from the Danish airborne polarimetric EMISAR has been used to assess the performance of different polarization modes for crop classification. Both C- and L-band SAR data were acquired simultaneously over the Foulum agricultural test site in Denmark on a monthly basis during the growing season...

  15. POLARIZED NEUTRONS IN RHIC

    Energy Technology Data Exchange (ETDEWEB)

    COURANT,E.D.

    1998-04-27

    There does not appear to be any obvious way to accelerate neutrons, polarized or otherwise, to high energies by themselves. To investigate the behavior of polarized neutrons the authors therefore have to obtain them by accelerating them as components of heavier nuclei, and then sorting out the contribution of the neutrons in the analysis of the reactions produced by the heavy ion beams. The best neutron carriers for this purpose are probably {sup 3}He nuclei and deuterons. A polarized deuteron is primarily a combination of a proton and a neutron with their spins pointing in the same direction; in the {sup 3}He nucleus the spins of the two protons are opposite and the net spin (and magnetic moment) is almost the same as that of a free neutron. Polarized ions other than protons may be accelerated, stored and collided in a ring such as RHIC provided the techniques proposed for polarized proton operation can be adapted (or replaced by other strategies) for these ions. To accelerate polarized particles in a ring, one must make provisions for overcoming the depolarizing resonances that occur at certain energies. These resonances arise when the spin tune (ratio of spin precession frequency to orbit frequency) resonates with a component present in the horizontal field. The horizontal field oscillates with the vertical motion of the particles (due to vertical focusing); its frequency spectrum is dominated by the vertical oscillation frequency and its modulation by the periodic structure of the accelerator ring. In addition, the magnet imperfections that distort the closed orbit vertically contain all integral Fourier harmonics of the orbit frequency.

  16. Upgrading the AGS polarized beam facility

    International Nuclear Information System (INIS)

    Ratner, L.G.

    1991-01-01

    Although present techniques for crossing depolarizing resonances in circular accelerators work, they are very time-consuming to implement and were only able to provide about a 40% polarized beam at 22 GeV in the Alternating Gradient Synchrotron (AGS). We propose to install a partial ''Siberian Snake'' solenoid in the AGS to eliminate the need to correct imperfection resonances and to make other modifications in our intrinsic resonance correctors. This will allow us to reach an energy of 25 GeV with 70% polarization and will enable the AGS to be an efficient injector of polarized protons into the Relativistic Heavy Ion Collider (RHIC), as well as being able to carry on a fixed-target program with minimum set-up time. 3 refs., 5 figs., 1 tab

  17. Dark Polar Dunes

    Science.gov (United States)

    2005-01-01

    20 January 2004 This Mars Global Surveyor (MGS) Mars Orbiter Camera (MOC) image, acquired during northern summer in December 2004, shows dark, windblown sand dunes in the north polar region of Mars. A vast sea of sand dunes nearly surrounds the north polar cap. These landforms are located near 80.3oN, 144.1oW. Light-toned features in the image are exposures of the substrate that underlies the dune field. The image covers an area about 3 km (1.9 mi) wide and is illuminated by sunlight from the lower left.

  18. Imaging with Polarized Neutrons

    Directory of Open Access Journals (Sweden)

    Nikolay Kardjilov

    2018-01-01

    Full Text Available Owing to their zero charge, neutrons are able to pass through thick layers of matter (typically several centimeters while being sensitive to magnetic fields due to their intrinsic magnetic moment. Therefore, in addition to the conventional attenuation contrast image, the magnetic field inside and around a sample can be visualized by detecting changes of polarization in a transmitted beam. The method is based on the spatially resolved measurement of the cumulative precession angles of a collimated, polarized, monochromatic neutron beam that traverses a magnetic field or sample.

  19. The polar mesosphere

    International Nuclear Information System (INIS)

    Morris, Ray; Murphy, Damian

    2008-01-01

    The mesosphere region, which lies at the edge of space, contains the coldest layer of the Earth's atmosphere, with summer temperatures as low as minus 130 °C. In this extreme environment ice aerosol layers have appeared since the dawn of industrialization—whose existence may arguably be linked to human influence—on yet another layer of the Earth's fragile atmosphere. Ground-based and space-based experiments conducted in the Arctic and Antarctic during the International Polar Year (IPY) aim to address limitations in our knowledge and to advance our understanding of thermal and dynamical processes at play in the polar mesosphere

  20. Internal polarized targets

    Energy Technology Data Exchange (ETDEWEB)

    Kinney, E.R.; Coulter, K.; Gilman, R.; Holt, R.J.; Kowalczyk, R.S.; Napolitano, J.; Potterveld, D.H.; Young, L. (Argonne National Lab., IL (USA)); Mishnev, S.I.; Nikolenko, D.M.; Popov, S.G.; Rachek, I.A.; Temnykh, A.B.; Toporkov, D.K.; Tsentalovich, E.P.; Wojtsekhowski, B.B. (AN SSSR, Novosibirsk (USSR). Inst. Yadernoj Fiziki)

    1989-01-01

    Internal polarized targets offer a number of advantages over external targets. After a brief review of the basic motivation and principles behind internal polarized targets, the technical aspects of the atomic storage cell will be discussed in particular. Sources of depolarization and the means by which their effects can be ameliorated will be described, especially depolarization by the intense magnetic fields arising from the circulating particle beam. The experience of the Argonne Novosibirsk collaboration with the use of a storage cell in a 2 GeV electron storage ring will be the focus of this technical discussion. 17 refs., 11 figs.

  1. AGS polarized H- source

    International Nuclear Information System (INIS)

    Kponou, A.; Alessi, J.G.; Sluyters, T.

    1985-01-01

    The AGS polarized H - source is now operational. During a month-long experimental physics run in July 1984, pulses equivalent to 15 μA x 300 μs (approx. 3 x 10 10 protons) were injected into the RFQ preaccelerator. Beam polarization, measured at 200 MeV, was approx. 75%. After the run, a program to increase the H - yield of the source was begun and significant progress has been made. The H - current is now frequently 20 to 30 μA. A description of the source and some details of our operating experience are given. We also briefly describe the improvement program

  2. Unbiased determination of polarized parton distributions and their uncertainties

    Energy Technology Data Exchange (ETDEWEB)

    Ball, Richard D. [Tait Institute, University of Edinburgh, JCMB, KB, Mayfield Rd, Edinburgh EH9 3JZ, Scotland (United Kingdom); Forte, Stefano, E-mail: forte@mi.infn.it [Dipartimento di Fisica, Università di Milano and INFN, Sezione di Milano, Via Celoria 16, I-20133 Milano (Italy); Guffanti, Alberto [The Niels Bohr International Academy and Discovery Center, The Niels Bohr Institute, Blegdamsvej 17, DK-2100 Copenhagen (Denmark); Nocera, Emanuele R. [Dipartimento di Fisica, Università di Milano and INFN, Sezione di Milano, Via Celoria 16, I-20133 Milano (Italy); Ridolfi, Giovanni [Dipartimento di Fisica, Università di Genova and INFN, Sezione di Genova, Genova (Italy); Rojo, Juan [PH Department, TH Unit, CERN, CH-1211 Geneva 23 (Switzerland)

    2013-09-01

    We present a determination of a set of polarized parton distributions (PDFs) of the nucleon, at next-to-leading order, from a global set of longitudinally polarized deep-inelastic scattering data: NNPDFpol1.0. The determination is based on the NNPDF methodology: a Monte Carlo approach, with neural networks used as unbiased interpolants, previously applied to the determination of unpolarized parton distributions, and designed to provide a faithful and statistically sound representation of PDF uncertainties. We present our dataset, its statistical features, and its Monte Carlo representation. We summarize the technique used to solve the polarized evolution equations and its benchmarking, and the method used to compute physical observables. We review the NNPDF methodology for parametrization and fitting of neural networks, the algorithm used to determine the optimal fit, and its adaptation to the polarized case. We finally present our set of polarized parton distributions. We discuss its statistical properties, test for its stability upon various modifications of the fitting procedure, and compare it to other recent polarized parton sets, and in particular obtain predictions for polarized first moments of PDFs based on it. We find that the uncertainties on the gluon, and to a lesser extent the strange PDF, were substantially underestimated in previous determinations.

  3. Unbiased determination of polarized parton distributions and their uncertainties

    International Nuclear Information System (INIS)

    Ball, Richard D.; Forte, Stefano; Guffanti, Alberto; Nocera, Emanuele R.; Ridolfi, Giovanni; Rojo, Juan

    2013-01-01

    We present a determination of a set of polarized parton distributions (PDFs) of the nucleon, at next-to-leading order, from a global set of longitudinally polarized deep-inelastic scattering data: NNPDFpol1.0. The determination is based on the NNPDF methodology: a Monte Carlo approach, with neural networks used as unbiased interpolants, previously applied to the determination of unpolarized parton distributions, and designed to provide a faithful and statistically sound representation of PDF uncertainties. We present our dataset, its statistical features, and its Monte Carlo representation. We summarize the technique used to solve the polarized evolution equations and its benchmarking, and the method used to compute physical observables. We review the NNPDF methodology for parametrization and fitting of neural networks, the algorithm used to determine the optimal fit, and its adaptation to the polarized case. We finally present our set of polarized parton distributions. We discuss its statistical properties, test for its stability upon various modifications of the fitting procedure, and compare it to other recent polarized parton sets, and in particular obtain predictions for polarized first moments of PDFs based on it. We find that the uncertainties on the gluon, and to a lesser extent the strange PDF, were substantially underestimated in previous determinations

  4. AVHRR Polar 1 Km Level 1B Data Set

    Data.gov (United States)

    National Aeronautics and Space Administration — Please note that the machine on which these AVHRR data are processed has reached its life expectancy and will no longer be available as of 02 June 2008 until further...

  5. Advanced Fuel Cycle Cost Basis

    Energy Technology Data Exchange (ETDEWEB)

    D. E. Shropshire; K. A. Williams; W. B. Boore; J. D. Smith; B. W. Dixon; M. Dunzik-Gougar; R. D. Adams; D. Gombert; E. Schneider

    2009-12-01

    This report, commissioned by the U.S. Department of Energy (DOE), provides a comprehensive set of cost data supporting a cost analysis for the relative economic comparison of options for use in the Advanced Fuel Cycle Initiative (AFCI) Program. The report describes the AFCI cost basis development process, reference information on AFCI cost modules, a procedure for estimating fuel cycle costs, economic evaluation guidelines, and a discussion on the integration of cost data into economic computer models. This report contains reference cost data for 25 cost modules—23 fuel cycle cost modules and 2 reactor modules. The cost modules were developed in the areas of natural uranium mining and milling, conversion, enrichment, depleted uranium disposition, fuel fabrication, interim spent fuel storage, reprocessing, waste conditioning, spent nuclear fuel (SNF) packaging, long-term monitored retrievable storage, near surface disposal of low-level waste (LLW), geologic repository and other disposal concepts, and transportation processes for nuclear fuel, LLW, SNF, transuranic, and high-level waste.

  6. Advanced Fuel Cycle Cost Basis

    Energy Technology Data Exchange (ETDEWEB)

    D. E. Shropshire; K. A. Williams; W. B. Boore; J. D. Smith; B. W. Dixon; M. Dunzik-Gougar; R. D. Adams; D. Gombert; E. Schneider

    2008-03-01

    This report, commissioned by the U.S. Department of Energy (DOE), provides a comprehensive set of cost data supporting a cost analysis for the relative economic comparison of options for use in the Advanced Fuel Cycle Initiative (AFCI) Program. The report describes the AFCI cost basis development process, reference information on AFCI cost modules, a procedure for estimating fuel cycle costs, economic evaluation guidelines, and a discussion on the integration of cost data into economic computer models. This report contains reference cost data for 25 cost modules—23 fuel cycle cost modules and 2 reactor modules. The cost modules were developed in the areas of natural uranium mining and milling, conversion, enrichment, depleted uranium disposition, fuel fabrication, interim spent fuel storage, reprocessing, waste conditioning, spent nuclear fuel (SNF) packaging, long-term monitored retrievable storage, near surface disposal of low-level waste (LLW), geologic repository and other disposal concepts, and transportation processes for nuclear fuel, LLW, SNF, transuranic, and high-level waste.

  7. Advanced Fuel Cycle Cost Basis

    Energy Technology Data Exchange (ETDEWEB)

    D. E. Shropshire; K. A. Williams; W. B. Boore; J. D. Smith; B. W. Dixon; M. Dunzik-Gougar; R. D. Adams; D. Gombert

    2007-04-01

    This report, commissioned by the U.S. Department of Energy (DOE), provides a comprehensive set of cost data supporting a cost analysis for the relative economic comparison of options for use in the Advanced Fuel Cycle Initiative (AFCI) Program. The report describes the AFCI cost basis development process, reference information on AFCI cost modules, a procedure for estimating fuel cycle costs, economic evaluation guidelines, and a discussion on the integration of cost data into economic computer models. This report contains reference cost data for 26 cost modules—24 fuel cycle cost modules and 2 reactor modules. The cost modules were developed in the areas of natural uranium mining and milling, conversion, enrichment, depleted uranium disposition, fuel fabrication, interim spent fuel storage, reprocessing, waste conditioning, spent nuclear fuel (SNF) packaging, long-term monitored retrievable storage, near surface disposal of low-level waste (LLW), geologic repository and other disposal concepts, and transportation processes for nuclear fuel, LLW, SNF, and high-level waste.

  8. The physics of polarization

    Science.gov (United States)

    Landi Degl'Innocenti, Egidio

    This course is intended to give a description of the basic physical concepts which underlie the study and the interpretation of polarization phenomena. Apart from a brief historical introduction (Sect. 1), the course is organized in three parts. A first part (Sects. 2 - 6) covers the most relevant facts about the polarization phenomena that are typically encountered in laboratory applications and in everyday life. In Sect. 2, the modern description of polarization in terms of the Stokes parameters is recalled, whereas Sect. 3 is devoted to introduce the basic tools of laboratory polarimetry, such as the Jones calculus and the Mueller matrices. The polarization phenomena which are met in the reflection and refraction of a beam of radiation at the separation surface between two dielectrics, or between a dielectric and a metal, are recalled in Sect. 4. Finally, Sect. 5 gives an introduction to the phenomena of dichroism and of anomalous dispersion and Sect. 6 summarizes the polarization phenomena that are commonly encountered in everyday life. The second part of this course (Sects. 7-14) deals with the description, within the formalism of classical physics, of the spectro-polarimetric properties of the radiation emitted by accelerated charges. Such properties are derived by taking as starting point the Liénard and Wiechert equations that are recalled and discussed in Sect. 7 both in the general case and in the non-relativistic approximation. The results are developed to find the percentage polarization, the radiation diagram, the cross-section and the spectral characteristics of the radiation emitted in different phenomena particularly relevant from the astrophysical point of view. The emission of a linear antenna is derived in Sect. 8. The other Sections are devoted to Thomson scattering (Sect. 9), Rayleigh scattering (Sect. 10), Mie scattering (Sect. 11), bremsstrahlung radiation (Sect. 12), cyclotron radiation (Sect. 13), and synchrotron radiation (Sect. 14

  9. Polarized Proton Collisions at RHIC

    CERN Document Server

    Bai, Mei; Alekseev, Igor G; Alessi, James; Beebe-Wang, Joanne; Blaskiewicz, Michael; Bravar, Alessandro; Brennan, Joseph M; Bruno, Donald; Bunce, Gerry; Butler, John J; Cameron, Peter; Connolly, Roger; De Long, Joseph; Drees, Angelika; Fischer, Wolfram; Ganetis, George; Gardner, Chris J; Glenn, Joseph; Hayes, Thomas; Hseuh Hsiao Chaun; Huang, Haixin; Ingrassia, Peter; Iriso, Ubaldo; Laster, Jonathan S; Lee, Roger C; Luccio, Alfredo U; Luo, Yun; MacKay, William W; Makdisi, Yousef; Marr, Gregory J; Marusic, Al; McIntyre, Gary; Michnoff, Robert; Montag, Christoph; Morris, John; Nicoletti, Tony; Oddo, Peter; Oerter, Brian; Osamu, Jinnouchi; Pilat, Fulvia Caterina; Ptitsyn, Vadim; Roser, Thomas; Satogata, Todd; Smith, Kevin T; Svirida, Dima; Tepikian, Steven; Tomas, Rogelio; Trbojevic, Dejan; Tsoupas, Nicholaos; Tuozzolo, Joseph; Vetter, Kurt; Wilinski, Michelle; Zaltsman, Alex; Zelenski, Anatoli; Zeno, Keith; Zhang, S Y

    2005-01-01

    The Relativistic Heavy Ion Collider~(RHIC) provides not only collisions of ions but also collisions of polarized protons. In a circular accelerator, the polarization of polarized proton beam can be partially or fully lost when a spin depolarizing resonance is encountered. To preserve the beam polarization during acceleration, two full Siberian snakes were employed in RHIC to avoid depolarizing resonances. In 2003, polarized proton beams were accelerated to 100~GeV and collided in RHIC. Beams were brought into collisions with longitudinal polarization at the experiments STAR and PHENIX by using spin rotators. RHIC polarized proton run experience demonstrates that optimizing polarization transmission efficiency and improving luminosity performance are significant challenges. Currently, the luminosity lifetime in RHIC is limited by the beam-beam effect. The current state of RHIC polarized proton program, including its dedicated physics run in 2005 and efforts to optimize luminosity production in beam-beam limite...

  10. Polarized Raman microspectroscopy on intact human hair.

    Science.gov (United States)

    Ackermann, Katrin R; Koster, Joachim; Schlücker, Sebastian

    2008-10-01

    Polarization-resolved Raman microspectroscopy with near-infrared laser excitation was applied to intact human hair in order to non-invasively investigate the conformation and orientation of the polypeptide chains. By varying the orientation of the hair shaft relative to the polarization directions of the laser/analyzer, a set of four polarized Raman spectra is obtained; this allows to simultaneously determine both the secondary structure of hair proteins and the orientation of the polypeptide strands relative to the axis of the hair shaft. For the amide I band, results from a quantitative analysis of the polarized Raman spectra are compared with theoretically expected values for fibers with uniaxial symmetry. Based on the polarization behavior of the amide I band and further vibrational bands, a partial ordering of alpha-helical polypeptide strands parallel to the hair shaft can be concluded. We suggest that this microspectroscopic approach may be used for human hair diagnostics by detecting structural or orientational alterations of keratins.

  11. Lobbying and political polarization

    OpenAIRE

    Ursprung, Heinrich W.

    2002-01-01

    Standard spatial models of political competition give rise to equilibria in which the competing political parties or candidates converge to a common position. In this paper I show how political polarization can be generated in models that focus on the nexus between pre-election interest group lobbying and electoral competition.

  12. Fluorescence confocal polarizing microscopy

    Indian Academy of Sciences (India)

    Much of the modern understanding of orientational order in liquid crystals (LCs) is based on polarizing microscopy (PM). A PM image bears only two-dimensional (2D) information, integrating the 3D pattern of optical birefringence over the path of light. Recently, we proposed a technique to image 3D director patterns by ...

  13. Polarization of Bremsstrahlung

    International Nuclear Information System (INIS)

    Miller, J.

    1957-01-01

    The numerical results for the polarization of Bremsstrahlung are presented. The multiple scattering of electrons in the target is taken into account. The angular-and photon energy dependences are seen on the curves for an incident 25 MeV electron energy. (Author) [fr

  14. DESY: HERA polarization

    International Nuclear Information System (INIS)

    Anon.

    1992-01-01

    The new HERA electron-proton collider at DESY in Hamburg achieved the first luminosity for electron-proton collisions on 19 October last year. Only one month later, on 20 November, HERA passed another important milestone with the observation of transverse electron polarization

  15. Titan Polar Landscape Evolution

    Science.gov (United States)

    Moore, Jeffrey M.

    2016-01-01

    With the ongoing Cassini-era observations and studies of Titan it is clear that the intensity and distribution of surface processes (particularly fluvial erosion by methane and Aeolian transport) has changed through time. Currently however, alternate hypotheses substantially differ among specific scenarios with respect to the effects of atmospheric evolution, seasonal changes, and endogenic processes. We have studied the evolution of Titan's polar region through a combination of analysis of imaging, elevation data, and geomorphic mapping, spatially explicit simulations of landform evolution, and quantitative comparison of the simulated landscapes with corresponding Titan morphology. We have quantitatively evaluated alternate scenarios for the landform evolution of Titan's polar terrain. The investigations have been guided by recent geomorphic mapping and topographic characterization of the polar regions that are used to frame hypotheses of process interactions, which have been evaluated using simulation modeling. Topographic information about Titan's polar region is be based on SAR-Topography and altimetry archived on PDS, SAR-based stereo radar-grammetry, radar-sounding lake depth measurements, and superposition relationships between geomorphologic map units, which we will use to create a generalized topographic map.

  16. Graphics of polar figure

    International Nuclear Information System (INIS)

    Macias B, L.R.

    1991-11-01

    The objective of this work, is that starting from a data file coming from a spectra that has been softened, and of the one that have been generated its coordinates to project it in stereographic form, to create the corresponding polar figure making use of the Cyber computer of the ININ by means of the GRAPHOS package. This work only requires a Beta, Fi and Intensity (I) enter data file. It starts of the existence of a softened spectra of which have been generated already with these data, making use of some language that in this case was FORTRAN for the Cyber computer, a program is generated supported in the Graphos package that allows starting of a reading of the Beta, Fi, I file, to generate the points in a stereographic projection and that it culminates with the graph of the corresponding polar figure. The program will request the pertinent information that is wanted to capture in the polar figure just as: date, name of the enter file, indexes of the polar figure, number of levels, radio of the stereographic projection (cms.), crystalline system to which belongs the sample, name the neuter graph file by create and to add the own general data. (Author)

  17. Polar Grid Navigation Algorithm for Unmanned Underwater Vehicles.

    Science.gov (United States)

    Yan, Zheping; Wang, Lu; Zhang, Wei; Zhou, Jiajia; Wang, Man

    2017-07-09

    To solve the unavailability of a traditional strapdown inertial navigation system (SINS) for unmanned underwater vehicles (UUVs) in the polar region, a polar grid navigation algorithm for UUVs is proposed in this paper. Precise navigation is the basis for UUVs to complete missions. The rapid convergence of Earth meridians and the serious polar environment make it difficult to establish the true heading of the UUV at a particular instant. Traditional SINS and traditional representation of position are not suitable in the polar region. Due to the restrictions of the complex underwater conditions in the polar region, a SINS based on the grid frame with the assistance of the OCTANS and the Doppler velocity log (DVL) is chosen for a UUV navigating in the polar region. Data fusion of the integrated navigation system is realized by a modified fuzzy adaptive Kalman filter (MFAKF). By neglecting the negative terms, and using T-S fuzzy logic in the adaptive regulation of the noise covariance, the proposed filter algorithm can improve navigation accuracy. Simulation and experimental results demonstrate that the polar grid navigation algorithm can effectively navigate a UUV sailing in the polar region.

  18. Characteristics of volume polarization holography with linear polarization light

    Science.gov (United States)

    Zang, Jinliang; Wu, An'an; Liu, Ying; Wang, Jue; Lin, Xiao; Tan, Xiaodi; Shimura, Tsutomu; Kuroda, Kazuo

    2015-10-01

    Volume polarization holographic recording in phenanthrenequinone-doped poly(methyl methacrylate) (PQ-PMMA) photopolymer with linear polarized light is obtained. The characteristics of the volume polarization hologram are experimentally investigated. It is found that beyond the paraxial approximation the polarization states of the holographic reconstruction light are generally different from the signal light. Based on vector wave theoretical analyses and material properties, the special exposure condition for correctly holographic reconstruction is obtained and experimentally demonstrated.

  19. Experiments with Fermilab polarized proton and polarized antiproton beams

    International Nuclear Information System (INIS)

    Yokosawa, A.

    1990-01-01

    We summarize activities concerning the Fermilab polarized beams. They include a brief description of the polarized-beam facility, measurements of beam polarization by polarimeters, asymmetry measurements in the π degree production at high p perpendicular and in the Λ (Σ degree), π ± , π degree production at large x F , and Δσ L (pp, bar pp) measurements. 18 refs

  20. NUCLEON POLARIZATION IN 3-BODY MODELS OF POLARIZED LI-6

    NARCIS (Netherlands)

    SCHELLINGERHOUT, NW; KOK, LP; COON, SA; ADAM, RM

    1993-01-01

    Just as He-3 --> can be approximately characterized as a polarized neutron target, polarized Li-6D has been advocated as a good isoscalar nuclear target for the extraction of the polarized gluon content of the nucleon. The original argument rests upon a presumed ''alpha + deuteron'' picture of Li-6,

  1. Asymptotic behaviour in polarized and half-polarized U(1) symmetric vacuum spacetimes

    International Nuclear Information System (INIS)

    Isenberg, James; Moncrief, Vincent

    2002-01-01

    We use the Fuchsian algorithm to study the behaviour near the singularity of certain families of U(1) symmetric solutions of the vacuum Einstein equations (with the U(1) isometry group acting spatially). We consider an analytic family of polarized solutions with the maximum number of arbitrary functions consistent with the polarization condition (one of the 'gravitational degrees of freedom' is turned off) and show that all members of this family are asymptotically velocity term dominated (AVTD) as one approaches the singularity. We show that the same AVTD behaviour holds for a family of 'half-polarized' solutions, which is defined by adding one extra arbitrary function to those characterizing the polarized solutions. (The full set of nonpolarized solutions involves two extra arbitrary functions.) Using SL(2, R) Geroch transformations, we produce a further class of U(1) symmetric solutions with AVTD behaviour. We begin to address the issue of whether AVTD behaviour is independent of the choice of time foliation by showing that indeed AVTD behaviour is seen for a wide class of choices of harmonic time in the polarized and half-polarized (U(1) symmetric vacuum) solutions discussed here

  2. Building AN International Polar Data Coordination Network

    Science.gov (United States)

    Pulsifer, P. L.; Yarmey, L.; Manley, W. F.; Gaylord, A. G.; Tweedie, C. E.

    2013-12-01

    In the spirit of the World Data Center system developed to manage data resulting from the International Geophysical Year of 1957-58, the International Polar Year 2007-2009 (IPY) resulted in significant progress towards establishing an international polar data management network. However, a sustained international network is still evolving. In this paper we argue that the fundamental building blocks for such a network exist and that the time is right to move forward. We focus on the Arctic component of such a network with linkages to Antarctic network building activities. A review of an important set of Network building blocks is presented: i) the legacy of the IPY data and information service; ii) global data management services with a polar component (e.g. World Data System); iii) regional systems (e.g. Arctic Observing Viewer; iv) nationally focused programs (e.g. Arctic Observing Viewer, Advanced Cooperative Arctic Data and Information Service, Polar Data Catalogue, Inuit Knowledge Centre); v) programs focused on the local (e.g. Exchange for Local Observations and Knowledge of the Arctic, Geomatics and Cartographic Research Centre). We discuss current activities and results with respect to three priority areas needed to establish a strong and effective Network. First, a summary of network building activities reports on a series of productive meetings, including the Arctic Observing Summit and the Polar Data Forum, that have resulted in a core set of Network nodes and participants and a refined vision for the Network. Second, we recognize that interoperability for information sharing fundamentally relies on the creation and adoption of community-based data description standards and data delivery mechanisms. There is a broad range of interoperability frameworks and specifications available; however, these need to be adapted for polar community needs. Progress towards Network interoperability is reviewed, and a prototype distributed data systems is demonstrated. We

  3. Polarized electron beams at SLAC

    International Nuclear Information System (INIS)

    Moffeit, K.C.

    1992-11-01

    SLAC has successfully accelerated high energy polarized electrons for the Stanford Linear Collider and fixed polarized nuclear target experiments. The polarized electron beams at SLAC use a gallium arsenide (GaAlAs for E-142) photon emission source to provide the beam of polarized electrons with polarization of approximately 28% (41% for E-142). While the beam emittance is reduced in the damping ring for SLC operation a system of bend magnets and superconducting solenoids preserve and orient the spin direction for maximum longitudinal polarization at the collision point. The electron polarization is monitored with a Compton scattering polarimeter, and was typically 22% at the e+e- collision point for the 1992 run. Improvements are discussed to increase the source polarization and to reduce the depolarization effects between the source and the collision point

  4. Analytical polarization calculations beyond SLIM

    International Nuclear Information System (INIS)

    Barber, D.P.

    1989-01-01

    A comparison is made between the theories of Bell and Leinaas and of Derbenev and Kondratenko for the spin polarization in electron storage rings. A calculation of polarization in HERA using the program SMILE of Mane is presented

  5. On Determinants of Political Polarization

    OpenAIRE

    Grechyna, Daryna

    2015-01-01

    Political polarization has been shown to significantly influence a country's economic performance. However, little is known about the drivers of political polarization. In this article, we aim to identify the main determinants of political polarization using Bayesian Model Averaging to overcome the problem of model uncertainty. We find that the level of trust within a country and the degree of income inequality are the most robust determinants of political polarization.

  6. Polarized electrogowdy spacetimes censored

    Energy Technology Data Exchange (ETDEWEB)

    Nungesser, Ernesto, E-mail: ernesto.nungesser@aei.mpg.d [Max-Planck-Institut fuer Gravitationsphysik, Albert-Einstein-Institut, Am Muehlenberg 1, 14476 Potsdam (Germany)

    2010-05-01

    A sketch of the proof of strong cosmic censorship is presented for a class of solutions of the Einstein-Maxwell equations, those with polarized Gowdy symmetry. A key element of the argument is the observation that by means of a suitable choice of variables the central equations in this problem can be written in a form where they are identical to the central equations for general (i.e. non-polarized) vacuum Gowdy spacetimes. Using this it is seen that the results of Ringstroem on strong cosmic censorship in the vacuum case have implications for the Einstein-Maxwell case. Working out the geometrical meaning of these analytical results leads to the main conclusion.

  7. PEPPo: Using a Polarized Electron Beam to Produce Polarized Positrons

    Energy Technology Data Exchange (ETDEWEB)

    Adeyemi, Adeleke H. [Hampton Univ., Hampton, VA (United States); et al.

    2015-09-01

    Polarized positron beams have been identified as either an essential or a significant ingredient for the experimental program of both the present and next generation of lepton accelerators (JLab, Super KEK B, ILC, CLIC). An experiment demonstrating a new method for producing polarized positrons has been performed at the Continuous Electron Beam Accelerator Facility at Jefferson Lab. The PEPPo (Polarized Electrons for Polarized Positrons) concept relies on the production of polarized e⁻/e⁺ pairs from the bremsstrahlung radiation of a longitudinally polarized electron beam interacting within a high-Z conversion target. PEPPo demonstrated the effective transfer of spin-polarization of an 8.2 MeV/c polarized (P~85%) electron beam to positrons produced in varying thickness tungsten production targets, and collected and measured in the range of 3.1 to 6.2 MeV/c. In comparison to other methods this technique reveals a new pathway for producing either high-energy or thermal polarized positron beams using a relatively low polarized electron beam energy (~10MeV) .This presentation will describe the PEPPo concept, the motivations of the experiment and high positron polarization achieved.

  8. Polarization induced doped transistor

    Science.gov (United States)

    Xing, Huili; Jena, Debdeep; Nomoto, Kazuki; Song, Bo; Zhu, Mingda; Hu, Zongyang

    2016-06-07

    A nitride-based field effect transistor (FET) comprises a compositionally graded and polarization induced doped p-layer underlying at least one gate contact and a compositionally graded and doped n-channel underlying a source contact. The n-channel is converted from the p-layer to the n-channel by ion implantation, a buffer underlies the doped p-layer and the n-channel, and a drain underlies the buffer.

  9. Polar bears, Ursus maritimus

    Science.gov (United States)

    Rode, Karyn D.; Stirling, Ian

    2017-01-01

    Polar bears are the largest of the eight species of bears found worldwide and are covered in a pigment-free fur giving them the appearance of being white. They are the most carnivorous of bear species consuming a high-fat diet, primarily of ice-associated seals and other marine mammals. They range throughout the circumpolar Arctic to the southernmost extent of seasonal pack ice.

  10. Polarized advanced fuel reactors

    International Nuclear Information System (INIS)

    Kulsrud, R.M.

    1987-07-01

    The d- 3 He reaction has the same spin dependence as the d-t reaction. It produces no neutrons, so that if the d-d reactivity could be reduced, it would lead to a neutron-lean reactor. The current understanding of the possible suppression of the d-d reactivity by spin polarization is discussed. The question as to whether a suppression is possible is still unresolved. Other advanced fuel reactions are briefly discussed. 11 refs

  11. On polarization in biomembranes

    DEFF Research Database (Denmark)

    Zecchi, Karis Amata

    close to physiological conditions, making these effects biologically relevant. In this work, we consider the case of asymmetric membranes which can display spontaneous polarization in the absence of a field. Close to the phase transition, we find that the membrane displays piezoelectric, flexoelectric...... on different geometries point in the direction of a flexoelectric mechanism behind current rectification in lipid bilayers. Finally, we suggest that our updated equivalent circuit should be included in the interpretation of elctrophysiological data....

  12. Multifrequency Behaviour of Polars

    Directory of Open Access Journals (Sweden)

    K. Reinsch

    2015-02-01

    Full Text Available Cataclysmic variables emit over a wide range of the electromagnetic spectrum. In this paper I will review observations of polars in relevant passbands obtained during the last decade and will discuss their diagnostical potential to access the physics of the main components within the binary systems. This will include a discussion of intrinsic source variability and the quest for simultaneous multi-frequency observations.

  13. Polar Magnetic Field Reversals of the Sun in Maunder Minimum

    Indian Academy of Sciences (India)

    tribpo

    The data on polar migration of solar magnetic fields were obtained on the basis of. Η alpha magnetic synoptic charts for 1880 1991 using Kodaikanal, Kislovodsk and Italian observations, and Atlas of Η alpha charts (Mclntosh 1979; Makarov &. Fatianov 1980; Makarov & Sivaraman 1989; Makarov 1994). The Wolf numbers ...

  14. Polar Business Design

    Directory of Open Access Journals (Sweden)

    Sébastien Caisse

    2014-02-01

    Full Text Available Polar business design aims to enable entrepreneurs, managers, consultants, researchers, and business students to better tackle model-based analysis, creation, and transformation of businesses, ventures, and, more generically, collective endeavors of any size and purpose. It is based on a systems-thinking approach that builds on a few interrelated core concepts to create holistic visual frameworks. These core concepts act as poles linked by meaningful dyads, flows, and faces arranged in geometric shapes. The article presents two such polar frameworks as key findings in an ongoing analytic autoethnography: the three-pole Value−Activity−Stakeholder (VAS triquetra and the four-pole Offer−Creation−Character−Stakeholder (OCCS tetrahedron. The VAS triquetra is a more aggregated model of collective endeavors. The OCCS tetrahedron makes a trade-off between a steeper learning curve and deeper, richer representation potential. This article discusses how to use these two frameworks as well as their limits, and explores the potential that polar business design offers for future research.

  15. Polar cap deflation during magnetospheric substorms

    Science.gov (United States)

    Moses, J. J.; Siscoe, G. L.; Heelis, R. A.; Winningham, J. D.

    1989-01-01

    The expanding/contracting polar cap model has been used to simulate DE-2 ion drift data during substorms as determined using the AL index. Of the 39 cases modeled, 57 percent required the opening of a nightside gap which maps to where reconnection occurs in the tail; 75 percent of the 16 recovery phase cases required a nightside gap, while only 29 percent of the 17 expansion phase cases required a nightside gap. On the basis of this result, it is concluded that if a nightside gap implies tail reconnection, then reconnection probably occurs after expansion phase onset and continues throughout most of the recovery phase of a substorm.

  16. Development of a surface isolation estimation technique suitable for application of polar orbiting satellite data

    Science.gov (United States)

    Davis, P. A.; Penn, L. M. (Principal Investigator)

    1981-01-01

    A technique is developed for the estimation of total daily insolation on the basis of data derivable from operational polar-orbiting satellites. Although surface insolation and meteorological observations are used in the development, the algorithm is constrained in application by the infrequent daytime polar-orbiter coverage.

  17. Investigation of the polarization anisotropy in a single-mode quartz fiber

    Science.gov (United States)

    Kozel, S. M.; Listvin, V. N.; Shatalin, S. V.

    A method is presented for investigating the fiber-length dependence of optical activity, linear birefringence and the azimuth of the major axis of linear birefringence on the basis of the evolution of two states of light polarization in a fiber with arbitrary polarization anisotropy. Linear and circular birefringent properties of the fiber are determined, and, it is shown that the fiber is irregular.

  18. Polarization imaging apparatus with auto-calibration

    Science.gov (United States)

    Zou, Yingyin Kevin; Zhao, Hongzhi; Chen, Qiushui

    2013-08-20

    A polarization imaging apparatus measures the Stokes image of a sample. The apparatus consists of an optical lens set, a first variable phase retarder (VPR) with its optical axis aligned 22.5.degree., a second variable phase retarder with its optical axis aligned 45.degree., a linear polarizer, a imaging sensor for sensing the intensity images of the sample, a controller and a computer. Two variable phase retarders were controlled independently by a computer through a controller unit which generates a sequential of voltages to control the phase retardations of the first and second variable phase retarders. A auto-calibration procedure was incorporated into the polarization imaging apparatus to correct the misalignment of first and second VPRs, as well as the half-wave voltage of the VPRs. A set of four intensity images, I.sub.0, I.sub.1, I.sub.2 and I.sub.3 of the sample were captured by imaging sensor when the phase retardations of VPRs were set at (0,0), (.pi.,0), (.pi.,.pi.) and (.pi./2,.pi.), respectively. Then four Stokes components of a Stokes image, S.sub.0, S.sub.1, S.sub.2 and S.sub.3 were calculated using the four intensity images.

  19. Polarization Imaging Apparatus with Auto-Calibration

    Science.gov (United States)

    Zou, Yingyin Kevin (Inventor); Zhao, Hongzhi (Inventor); Chen, Qiushui (Inventor)

    2013-01-01

    A polarization imaging apparatus measures the Stokes image of a sample. The apparatus consists of an optical lens set, a first variable phase retarder (VPR) with its optical axis aligned 22.5 deg, a second variable phase retarder with its optical axis aligned 45 deg, a linear polarizer, a imaging sensor for sensing the intensity images of the sample, a controller and a computer. Two variable phase retarders were controlled independently by a computer through a controller unit which generates a sequential of voltages to control the phase retardations of the first and second variable phase retarders. A auto-calibration procedure was incorporated into the polarization imaging apparatus to correct the misalignment of first and second VPRs, as well as the half-wave voltage of the VPRs. A set of four intensity images, I(sub 0), I(sub 1), I(sub 2) and I(sub 3) of the sample were captured by imaging sensor when the phase retardations of VPRs were set at (0,0), (pi,0), (pi,pi) and (pi/2,pi), respectively. Then four Stokes components of a Stokes image, S(sub 0), S(sub 1), S(sub 2) and S(sub 3) were calculated using the four intensity images.

  20. A polarization-insensitive plasmonic photoconductive terahertz emitter

    KAUST Repository

    Li, Xurong

    2017-11-16

    We present a polarization-insensitive plasmonic photoconductive terahertz emitter that uses a two-dimensional array of nanoscale cross-shaped apertures as the plasmonic contact electrodes. The geometry of the cross-shaped apertures is set to maximize optical pump absorption in close proximity to the contact electrodes. The two-dimensional symmetry of the cross-shaped apertures offers a polarization-insensitive interaction between the plasmonic contact electrodes and optical pump beam. We experimentally demonstrate a polarization-insensitive terahertz radiation from the presented emitter in response to a femtosecond optical pump beam and similar terahertz radiation powers compared to previously demonstrated polarization-sensitive photoconductive emitters with plasmonic contact electrode gratings at the optimum optical pump polarization.

  1. Wavelet analysis of polarization maps of polycrystalline biological fluids networks

    Science.gov (United States)

    Ushenko, Y. A.

    2011-12-01

    The optical model of human joints synovial fluid is proposed. The statistic (statistic moments), correlation (autocorrelation function) and self-similar (Log-Log dependencies of power spectrum) structure of polarization two-dimensional distributions (polarization maps) of synovial fluid has been analyzed. It has been shown that differentiation of polarization maps of joint synovial fluid with different physiological state samples is expected of scale-discriminative analysis. To mark out of small-scale domain structure of synovial fluid polarization maps, the wavelet analysis has been used. The set of parameters, which characterize statistic, correlation and self-similar structure of wavelet coefficients' distributions of different scales of polarization domains for diagnostics and differentiation of polycrystalline network transformation connected with the pathological processes, has been determined.

  2. An efficient source of continuous variable polarization entanglement

    DEFF Research Database (Denmark)

    Dong, R.; Heersink, J.; Yoshikawa, J.-I.

    2007-01-01

    classical excitation in Ŝ3. Polarization entanglement was generated by interfering two independent polarization squeezed fields on a symmetric beam splitter. The resultant beams exhibit strong quantum noise correlations in the dark Ŝ1-Ŝ2 polarization plane. To verify entanglement generation, we......We have experimentally demonstrated the efficient creation of highly entangled bipartite continuous variable polarization states. Exploiting an optimized scheme for the production of squeezing using the Kerr non-linearity of a glass fibre we generated polarization squeezed pulses with a mean...... characterized the quantum correlations of the system for two different sets of conjugate Stokes parameters. The quantum correlations along the squeezed and the anti-squeezed Stokes parameters were observed to be -4.1 ±0.3 and -2.6 ±0.3 dB below the shot noise level, respectively. The degree of correlations...

  3. Polar Domain Discovery with Sparkler

    Science.gov (United States)

    Duerr, R.; Khalsa, S. J. S.; Mattmann, C. A.; Ottilingam, N. K.; Singh, K.; Lopez, L. A.

    2017-12-01

    The scientific web is vast and ever growing. It encompasses millions of textual, scientific and multimedia documents describing research in a multitude of scientific streams. Most of these documents are hidden behind forms which require user action to retrieve and thus can't be directly accessed by content crawlers. These documents are hosted on web servers across the world, most often on outdated hardware and network infrastructure. Hence it is difficult and time-consuming to aggregate documents from the scientific web, especially those relevant to a specific domain. Thus generating meaningful domain-specific insights is currently difficult. We present an automated discovery system (Figure 1) using Sparkler, an open-source, extensible, horizontally scalable crawler which facilitates high throughput and focused crawling of documents pertinent to a particular domain such as information about polar regions. With this set of highly domain relevant documents, we show that it is possible to answer analytical questions about that domain. Our domain discovery algorithm leverages prior domain knowledge to reach out to commercial/scientific search engines to generate seed URLs. Subject matter experts then annotate these seed URLs manually on a scale from highly relevant to irrelevant. We leverage this annotated dataset to train a machine learning model which predicts the `domain relevance' of a given document. We extend Sparkler with this model to focus crawling on documents relevant to that domain. Sparkler avoids disruption of service by 1) partitioning URLs by hostname such that every node gets a different host to crawl and by 2) inserting delays between subsequent requests. With an NSF-funded supercomputer Wrangler, we scaled our domain discovery pipeline to crawl about 200k polar specific documents from the scientific web, within a day.

  4. Calculation of the vibrationally resolved, circularly polarized luminescence of d-camphorquinone and (S,S)-trans-beta-hydrindanone.

    Science.gov (United States)

    Pritchard, Benjamin; Autschbach, Jochen

    2010-08-02

    Circularly polarized luminescence (CPL), the differential emission of left- and right-handed circularly polarized light from a molecule, is modeled by using time-dependent density functional theory. Calculations of the CPL spectra for the first electronic excited states of d-camphorquinone and (S,S)-trans-beta-hydrindanone under the Franck-Condon approximation and using various functionals are presented, as well as calculations of absorption, emission, and circular dichroism spectra. The functionals B3LYP, BHLYP, and CAM-B3LYP are employed, along with the TZVP and aug-cc-pVDZ Gaussian-type basis sets. For the lowest-energy transitions, all functionals and basis sets perform comparably, with the long-range-corrected CAM-B3LYP better reproducing the excitation energy of camphorquinone but leading to a blue shift with respect to experiment for hydrindanone. The vibrationally resolved spectra of camphorquinone are very well reproduced in terms of peak location, widths, shapes, and intensities. The spectra of hydrindanone are well reproduced in terms of overall envelope shape and width, as well as the lack of prominent vibrational structure in the emission and CPL spectra. Overall the simulated spectra compare well with experiment, and reproduce the band shapes, emission red shifts, and presence or absence of visible vibrational fine structure.

  5. Virtually Shaping the Future of Polar Research

    Science.gov (United States)

    Baeseman, J. L.; Koldunov, N. V.; Jochum, K.

    2009-12-01

    The Association of Polar Early Career Scientists (APECS) is an international and interdisciplinary organization for undergraduate and graduate students, postdoctoral researchers, early faculty members, educators and others with interests in Polar Regions and the wider cryosphere that started as a result of the International Polar Year (IPY). APECS is leading the way for virtual communication of polar research through several activities: an online Polar Literature Discussion Forum, a Virtual Poster Session, and Communication beyond the conference setting. APECS has created an extensive online discussion forum where researchers share both classic and cutting-edge literature articles and critique techniques that were used by authors, helping to improve methods as well as discover new ways to approach polar research questions. Many researchers present their results as posters at conferences. APECS has taken this process to a new level by creating a format to display previously presented posters online instead of these files simply sitting on a researcher’s hard-drive. Not only are the posters online, a monthly conference call open to hundreds of participants allows researchers to share their work with a new audience - fellow researchers, community members, potential colleagues, policy makers and educators. These calls are recorded and archived online so the next time someone visits the poster, they can hear the researcher describe their work and communicate with the researcher questions they may have, potential ways to collaborate or share different methodologies to improve future endeavors. Peer-reviewed literature articles are the currency of science and APECS has capitalized on this by creating a way for researchers to increase the exposure of their publications beyond the table of contents published by journals. The Polar Literature Discussion Forum is a new way for researchers to share their papers, as well as discuss classic articles. This has become a popular

  6. Circularly polarized antennas

    CERN Document Server

    Gao, Steven; Zhu, Fuguo

    2013-01-01

    This book presents a comprehensive insight into the design techniques for different types of CP antenna elements and arrays In this book, the authors address a broad range of topics on circularly polarized (CP) antennas. Firstly, it introduces to the reader basic principles, design techniques and characteristics of various types of CP antennas, such as CP patch antennas, CP helix antennas, quadrifilar helix antennas (QHA), printed quadrifilar helix antennas (PQHA), spiral antenna, CP slot antennas, CP dielectric resonator antennas, loop antennas, crossed dipoles, monopoles and CP horns. Adva

  7. Plasma polarization spectroscopy

    CERN Document Server

    Iwamae, Atsushi

    2008-01-01

    Plasma Polarization Spectroscopy (PPS) is now becoming a standard diagnostic technique for working with laboratory plasmas. This new area needs a comprehensive framework, both experimental and theoretical. This book reviews the historical development of PPS, develops a general theoretical formulation to deal with this phenomenon, along with an overview of relevant cross sections, and reports on laboratory experiments so far performed. It also includes various facets that are interesting from this standpoint, e.g. X-ray lasers and effects of microwave irradiation. It also offers a timely discussion of instrumentation that is quite important in a practical PPS experiment.

  8. System for measuring the proton polarization in a polarized target

    International Nuclear Information System (INIS)

    Karnaukhov, I.M.; Lukhanin, A.A.; Telegin, Yu.N.; Trotsenko, V.I.; Chechetenko, V.F.

    1984-01-01

    The system for measuring the proton polarization in a polarized target representing the high-sensitivity nuclear magnetic resonance (NMR) is described Q-meter with series connection and a circuit for measuring system resonance characteristic is used for NMR-absorption signal recording. Measuring coil is produced of a strip conductor in order to obtain uniform system sensitivity to polarization state in all target volume and improve signal-to-noise ratio. Polarization measuring system operates ion-line with the M-6000 computer. The total measuring error for the value of free proton polarization in target taking into account the error caused by local depolarization of working substance under irradiation by high-intense photon beam is <= 6%. Long-term application of the described system for measuring the proton polarization in the LUEh-20000 accelerator target used in the pion photoproduction experiments has demonstrated its high reliability

  9. Impact of the CO2 and H2O clouds of the Martian polar hood on the polar energy balance

    Science.gov (United States)

    Forget, Francois; Pollack, James B.

    1993-01-01

    Clouds covering extensive areas above the martian polar caps have regularly been observed during the fall and winter seasons of each hemisphere. These 'polar hoods' are thought to be made of H2O and CO2. In particular, the very cold temperatures observed during the polar night by Viking and Mariner 9 around both poles have been identified as CO2 clouds and several models, including GCM, have indicated that the CO2 can condense in the atmosphere at all polar latitudes. Estimating the impact of the polar hood clouds on the energy balance of the polar regions is necessary to model the CO2 cycle and address puzzling problems like the polar caps assymetry. For example, by altering the thermal radiation emitted to space, CO2 clouds alter the amount of CO2 that condenses during the fall and winter season. The complete set of Viking IRTM data was analyzed to define the spatial and temporal properties of the polar hoods, and how their presence affects the energy radiated by the atmosphere/caps system to space was estimated. The IRTM observations provide good spatial and temporal converage of both polar regions during fall, winter, and spring, when a combination of the first and the second Viking year is used. Only the IRTM brightness temperatures at 11, 15, and 20 microns are reliable at martian polar temperatures. To recover the integrated thermal fluxes from the IRTM data, a simple model of the polar hood, thought to consist of 'warm' H2O clouds lying above colder and opaque CO2 clouds was developed. Such a model is based on the analysis of the IRIS spectra, and is consistent with the IRTM data used.

  10. Polar drive on OMEGA

    Directory of Open Access Journals (Sweden)

    Radha P.B.

    2013-11-01

    Full Text Available High-convergence polar-drive experiments are being conducted on OMEGA [T. R. Boehly et al., Opt. Commum. 133, 495 (1997] using triple-picket laser pulses. The goal of OMEGA experiments is to validate modeling of oblique laser deposition, heat conduction in the presence of nonradial thermal gradients in the corona, and implosion energetics in the presence of laser–plasma interactions such as crossed-beam energy transfer. Simulated shock velocities near the equator, where the beams are obliquely incident, are within 5% of experimentally inferred values in warm plastic shells, well within the required accuracy for ignition. High, near-one-dimensional areal density is obtained in warm-plastic-shell implosions. Simulated backlit images of the compressing core are in good agreement with measured images. Outstanding questions that will be addressed in the future relate to the role of cross-beam transfer in polar drive irradiation and increasing the energy coupled into the target by decreasing beam obliquity.

  11. Reconstruction of mono-vacancies in carbon nanotubes: Atomic relaxation vs. spin polarization

    International Nuclear Information System (INIS)

    Berber, S.; Oshiyama, A.

    2006-01-01

    We have investigated the reconstruction of mono-vacancies in carbon nanotubes using density functional theory (DFT) geometry optimization and electronic structure calculations, employing a numerical basis set. We considered mono-vacancies in achiral nanotubes with diameter range ∼4-9A. Contrary to previous tight-binding calculations, our results indicate that mono-vacancies could have several metastable geometries, confirming the previous plane-wave DFT results. Formation energy of mono-vacancies is 4.5-5.5eV, increasing with increasing tube diameter. Net magnetic moment decreases from ideal mono-vacancy value after reconstruction, reflecting the reduction of the number of dangling bonds. In spite of the existence of a dangling bond, ground state of mono-vacancies in semiconducting tubes have no spin polarization. Metallic carbon nanotubes show net magnetic moment for most stable structure of mono-vacancy, except for very small diameter tubes

  12. Polarized proton collider at RHIC

    Energy Technology Data Exchange (ETDEWEB)

    Alekseev, I.; Allgower, C.; Bai, M.; Batygin, Y.; Bozano, L.; Brown, K.; Bunce, G.; Cameron, P.; Courant, E.; Erin, S.; Escallier, J.; Fischer, W.; Gupta, R.; Hatanaka, K.; Huang, H.; Imai, K.; Ishihara, M.; Jain, A.; Lehrach, A.; Kanavets, V.; Katayama, T.; Kawaguchi, T.; Kelly, E.; Kurita, K.; Lee, S.Y.; Luccio, A.; MacKay, W.W. E-mail: mackay@bnl.govhttp://www.rhichome.bnl.gov/People/waldowaldo@bnl.gov; Mahler, G.; Makdisi, Y.; Mariam, F.; McGahern, W.; Morgan, G.; Muratore, J.; Okamura, M.; Peggs, S.; Pilat, F.; Ptitsin, V.; Ratner, L.; Roser, T.; Saito, N.; Satoh, H.; Shatunov, Y.; Spinka, H.; Syphers, M.; Tepikian, S.; Tominaka, T.; Tsoupas, N.; Underwood, D.; Vasiliev, A.; Wanderer, P.; Willen, E.; Wu, H.; Yokosawa, A.; Zelenski, A.N

    2003-03-01

    In addition to heavy ion collisions (RHIC Design Manual, Brookhaven National Laboratory), RHIC will also collide intense beams of polarized protons (I. Alekseev, et al., Design Manual Polarized Proton Collider at RHIC, Brookhaven National Laboratory, 1998, reaching transverse energies where the protons scatter as beams of polarized quarks and gluons. The study of high energy polarized protons beams has been a long term part of the program at BNL with the development of polarized beams in the Booster and AGS rings for fixed target experiments. We have extended this capability to the RHIC machine. In this paper we describe the design and methods for achieving collisions of both longitudinal and transverse polarized protons in RHIC at energies up to {radical}s=500 GeV.

  13. Spin exchange in polarized deuterium

    International Nuclear Information System (INIS)

    Przewoski, B. von; Meyer, H.O.; Balewski, J.; Doskow, J.; Ibald, R.; Pollock, R.E.; Rinckel, T.; Wellinghausen, A.; Whitaker, T.J.; Daehnick, W.W.; Haeberli, W.; Schwartz, B.; Wise, T.; Lorentz, B.; Rathmann, F.; Pancella, P.V.; Saha, Swapan K.; Thoerngren-Engblom, P.

    2003-01-01

    We have measured the vector and tensor polarization of an atomic deuterium target as a function of the target density. The polarized deuterium was produced in an atomic beam source and injected into a storage cell. For this experiment, the atomic beam source was operated without rf transitions, in order to avoid complications from the unknown efficiency of these transitions. In this mode, the atomic beam is vector and tensor polarized and both polarizations can be measured simultaneously. We used a 1.2-cm-diam and 27-cm-long storage cell, which yielded an average target density between 3 and 9x10 11 at/cm 3 . We find that the tensor polarization decreases with increasing target density while the vector polarization remains constant. The data are in quantitative agreement with the calculated effect of spin exchange between deuterium atoms at low field

  14. Laguerre-Gauss basis functions in observer models

    Science.gov (United States)

    Burgess, Arthur E.

    2003-05-01

    Observer models based on linear classifiers with basis functions (channels) are useful for evaluation of detection performance with medical images. They allow spatial domain calculations with a covariance matrix of tractable size. The term "channelized Fisher-Hotelling observer" will be used here. It is also called the "channelized Hotelling observer" model. There are an infinite number of basis function (channel ) sets that could be employed. Examples of channel sets that have been used include: difference of Gaussian (DOG) filters, difference of Mesa (DOM) filters and Laguerre-Gauss (LG) basis functions. Another option, sums of LG functions (LGS), will also be presented here. This set has the advantage of having no DC response. The effect of the number of images used to estimate model observer performance will be described, for both filtered 1/f3 noise and GE digital mammogram backgrounds. Finite sample image sets introduce both bias and variance to the estimate. The results presented here agree with previous work on linear classifiers. The LGS basis set gives a small but statistically significant reduction in bias. However, this may not be of much practical benefit. Finally, the effect of varying the number of basis functions included in the set will be addressed. It was found that four LG bases or three LGS bases are adequate.

  15. Assessment of tissue viability by polarization spectroscopy

    Science.gov (United States)

    Nilsson, G.; Anderson, C.; Henricson, J.; Leahy, M.; O'Doherty, J.; Sjöberg, F.

    2008-09-01

    A new and versatile method for tissue viability imaging based on polarization spectroscopy of blood in superficial tissue structures such as the skin is presented in this paper. Linearly polarized light in the visible wavelength region is partly reflected directly by the skin surface and partly diffusely backscattered from the dermal tissue matrix. Most of the directly reflected light preserves its polarization state while the light returning from the deeper tissue layers is depolarized. By the use of a polarization filter positioned in front of a sensitive CCD-array, the light directly reflected from the tissue surface is blocked, while the depolarized light returning from the deeper tissue layers reaches the detector array. By separating the colour planes of the detected image, spectroscopic information about the amount of red blood cells (RBCs) in the microvascular network of the tissue under investigation can be derived. A theory that utilizes the differences in light absorption of RBCs and bloodless tissue in the red and green wavelength region forms the basis of an algorithm for displaying a colour coded map of the RBC distribution in a tissue. Using a fluid model, a linear relationship (cc. = 0.99) between RBC concentration and the output signal was demonstrated within the physiological range 0-4%. In-vivo evaluation using transepidermal application of acetylcholine by the way of iontophoresis displayed the heterogeneity pattern of the vasodilatation produced by the vasoactive agent. Applications of this novel technology are likely to be found in drug and skin care product development as well as in the assessment of skin irritation and tissue repair processes and even ultimately in a clinic case situation.

  16. Macrophage Polarization in Metabolism and Metabolic Disease

    Directory of Open Access Journals (Sweden)

    Anna Meiliana

    2013-08-01

    Full Text Available BACKGROUND: Obesity is now recognized as the main cause of the worldwide epidemic of type 2 diabetes. Obesity-associated chronic inflammation is a contributing key factor for type 2 diabetes and cardiovascular disease. Numbers of studies have clearly demonstrated that the immune system and metabolism are highly integrated. CONTENT: Macrophages are an essential component of innate immunity and play a central role in inflammation and host defense. Moreover, these cells have homeostatic functions beyond defense, including tissue remodeling in ontogenesis and orchestration of metabolic functions. Diversity and plasticity are hallmarks of cells of the monocyte-macrophage lineage. In response to interferons (IFNs, toll-like receptor (TLR, or interleukin (IL-4/IL-13 signals, macrophages undergo M1 (classical or M2 (alternative activation. Progress has now been made in defining the signaling pathways, transcriptional networks, and epigenetic mechanisms underlying M1, M2 or M2-like polarized activation. SUMMARY: In response to various signals, macrophages may undergo classical M1 activation (stimulated by TLR ligands and IFN-γ or alternative M2 activation (stimulated by IL-4/IL-13; these states mirror the T helper (Th1–Th2 polarization of T cells. Pathology is frequently associated with dynamic changes in macrophage activation, with classically activated M1 cells implicate in initiating and sustaining inflammation, meanwhile M2 or M2-like activated cells associated with resolution or smoldering chronic inflammation. Identification of the mechanisms and molecules that are associated with macrophage plasticity and polarized activation provides a basis for macrophage centered diagnostic and therapeutic strategies. KEYWORDS: obesity, adipose tissue, inflammation, macrophage polarization.

  17. Design Load Basis for Offshore Wind turbines

    DEFF Research Database (Denmark)

    Natarajan, Anand; Hansen, Morten Hartvig; Wang, Shaofeng

    2016-01-01

    DTU Wind Energy is not designing and manufacturing wind turbines and does therefore not need a Design Load Basis (DLB) that is accepted by a certification body. However, to assess the load consequences of innovative features and devices added to existing offshore turbine concepts or new offshore...... turbine concept developed in our research, it is useful to have a full DLB that follows the current design standard and is representative of a general DLB used by the industry. It will set a standard for the offshore wind turbine design load evaluations performed at DTU Wind Energy, which is aligned...

  18. Linear polarization of BY Draconis

    International Nuclear Information System (INIS)

    Koch, R.H.; Pfeiffer, R.J.

    1976-01-01

    Linear polarization measurements are reported in four bandpasses for the flare star BY Dra. The red polarization is intrinsically variable at a confidence level greater than 99 percent. On a time scale of many months, the variability is not phase-locked to either a rotational or a Keplerian ephemeris. The observations of the three other bandpasses are useful principally to indicate a polarization spectrum rising toward shorter wavelengths

  19. Polarity in Mammalian Epithelial Morphogenesis

    OpenAIRE

    Roignot, Julie; Peng, Xiao; Mostov, Keith

    2013-01-01

    Cell polarity is fundamental for the architecture and function of epithelial tissues. Epithelial polarization requires the intervention of several fundamental cell processes, whose integration in space and time is only starting to be elucidated. To understand what governs the building of epithelial tissues during development, it is essential to consider the polarization process in the context of the whole tissue. To this end, the development of three-dimensional organotypic cell culture model...

  20. The Polarized Radiation Imaging and Spectroscopy Mission

    CERN Document Server

    André, Philippe; Banday, Anthony; Barbosa, Domingos; Barreiro, Belen; Bartlett, James; Bartolo, Nicola; Battistelli, Elia; Battye, Richard; Bendo, George; Benoȋt, Alain; Bernard, Jean-Philippe; Bersanelli, Marco; Béthermin, Matthieu; Bielewicz, Pawel; Bonaldi, Anna; Bouchet, François; Boulanger, François; Brand, Jan; Bucher, Martin; Burigana, Carlo; Cai, Zhen-Yi; Camus, Philippe; Casas, Francisco; Casasola, Viviana; Castex, Guillaume; Challinor, Anthony; Chluba, Jens; Chon, Gayoung; Colafrancesco, Sergio; Comis, Barbara; Cuttaia, Francesco; D'Alessandro, Giuseppe; Da Silva, Antonio; Davis, Richard; de Avillez, Miguel; de Bernardis, Paolo; de Petris, Marco; de Rosa, Adriano; de Zotti, Gianfranco; Delabrouille, Jacques; Désert, François-Xavier; Dickinson, Clive; Diego, Jose Maria; Dunkley, Joanna; Enßlin, Torsten; Errard, Josquin; Falgarone, Edith; Ferreira, Pedro; Ferrière, Katia; Finelli, Fabio; Fletcher, Andrew; Fosalba, Pablo; Fuller, Gary; Galli, Silvia; Ganga, Ken; García-Bellido, Juan; Ghribi, Adnan; Giard, Martin; Giraud-Héraud, Yannick; Gonzalez-Nuevo, Joaquin; Grainge, Keith; Gruppuso, Alessandro; Hall, Alex; Hamilton, Jean-Christophe; Haverkorn, Marijke; Hernandez-Monteagudo, Carlos; Herranz, Diego; Jackson, Mark; Jaffe, Andrew; Khatri, Rishi; Kunz, Martin; Lamagna, Luca; Lattanzi, Massimiliano; Leahy, Paddy; Lesgourgues, Julien; Liguori, Michele; Liuzzo, Elisabetta; Lopez-Caniego, Marcos; Macias-Perez, Juan; Maffei, Bruno; Maino, Davide; Mangilli, Anna; Martinez-Gonzalez, Enrique; Martins, Carlos J.A.P.; Masi, Silvia; Massardi, Marcella; Matarrese, Sabino; Melchiorri, Alessandro; Melin, Jean-Baptiste; Mennella, Aniello; Mignano, Arturo; Miville-Deschênes, Marc-Antoine; Monfardini, Alessandro; Murphy, Anthony; Naselsky, Pavel; Nati, Federico; Natoli, Paolo; Negrello, Mattia; Noviello, Fabio; O'Sullivan, Créidhe; Paci, Francesco; Pagano, Luca; Paladino, Rosita; Palanque-Delabrouille, Nathalie; Paoletti, Daniela; Peiris, Hiranya; Perrotta, Francesca; Piacentini, Francesco; Piat, Michel; Piccirillo, Lucio; Pisano, Giampaolo; Polenta, Gianluca; Pollo, Agnieszka; Ponthieu, Nicolas; Remazeilles, Mathieu; Ricciardi, Sara; Roman, Matthieu; Rosset, Cyrille; Rubino-Martin, Jose-Alberto; Salatino, Maria; Schillaci, Alessandro; Shellard, Paul; Silk, Joseph; Starobinsky, Alexei; Stompor, Radek; Sunyaev, Rashid; Tartari, Andrea; Terenzi, Luca; Toffolatti, Luigi; Tomasi, Maurizio; Trappe, Neil; Tristram, Matthieu; Trombetti, Tiziana; Tucci, Marco; Van de Weijgaert, Rien; Van Tent, Bartjan; Verde, Licia; Vielva, Patricio; Wandelt, Ben; Watson, Robert; Withington, Stafford; Cabrera, Nicolas

    2014-01-01

    PRISM (Polarized Radiation Imaging and Spectroscopy Mission) was proposed to ESA in May 2013 as a large-class mission for investigating within the framework of the ESA Cosmic Vision program a set of important scientific questions that require high resolution, high sensitivity, full-sky observations of the sky emission at wavelengths ranging from millimeter-wave to the far-infrared. PRISM's main objective is to explore the distant universe, probing cosmic history from very early times until now as well as the structures, distribution of matter, and velocity flows throughout our Hubble volume. PRISM will survey the full sky in a large number of frequency bands in both intensity and polarization and will measure the absolute spectrum of sky emission more than three orders of magnitude better than COBE FIRAS. The aim of this Extended White Paper is to provide a more detailed overview of the highlights of the new science that will be made possible by PRISM

  1. Plasmonic vortex generator without polarization dependence

    Science.gov (United States)

    Wang, Han; Liu, Lixia; Liu, Chunxiang; Li, Xing; Wang, Shuyun; Xu, Qing; Teng, Shuyun

    2018-03-01

    In view of the limitations of vortex generators with polarization dependence at present, we propose a plasmonic vortex generator composed of rectangular holes etched in silver film, in which the optical vortex can be generated under arbitrary linearly polarized light illumination. Two sets of rectangular holes are arranged equidistantly on a circle and rotate in postulate directions. Theoretical analysis provides the design principle for the vortex generator, and numerical simulations give guidance on designating the vortex generator parameters. Experimental measurements verify the performance of the proposed vortex generator. Moreover, two alternative structures for the generation of a plasmonic vortex are also provided in this paper. The resulting perfect vortex, compact structure and flexible illumination conditions will lead to wide applications of this plasmonic vortex generator.

  2. A polarized alkali ion source

    International Nuclear Information System (INIS)

    Boettger, R.; Tungate, G.; Bauer, B.; Egelhof, P.; Moebius, K.H.; Steffens, E.

    1978-01-01

    The beam foil technique has been applied to detect nuclear vector polarization of a 10 keV 23 Na + beam. The result was about 70% of the atomic beam polarization thus limiting the depolarization by the surface ionizer to at most 30%. In a Coulomb excitation experiment with a tensor polarized 42 MeV 23 Na 7+ beam an effect of 0.011 +- 0.003 was measured yielding a value of t 20 approx. 0.04 for the beam polarization. The depolarization during the acceleration process can be estimated to be about 0.8. (orig.) [de

  3. The SLAC polarized electron source

    International Nuclear Information System (INIS)

    Tang, H.; Alley, R.; Frisch, J.

    1995-06-01

    The SLAC polarized electron source employs a photocathode DC high voltage gun with a loadlock and a YAG pumped Ti:sapphire laser system for colliding beam experiments or a flash lamp pumped Ti:sapphire laser for fixed target experiments. It uses a thin, strained GaAs(100) photocathode, and is capable of producing a pulsed beam with a polarization of ≥80% and a peak current exceeding 10 A. Its operating efficiency has reached 99%. The physics and technology of producing high polarization electron beams from a GaAs photocathode will be reviewed. The prospects of realizing a polarized electron source for future linear colliders will also be discussed

  4. Optically enhanced nuclear cross polarization in acridine-doped fluorene

    Energy Technology Data Exchange (ETDEWEB)

    Oshiro, C.M.

    1982-06-01

    The objective of this work has been to create large polarizations of the dilute /sup 13/C nuclei in the solid state. The idea was to create /sup 1/H polarizations larger than Boltzmann and to use the proton enhanced nuclear induction spectroscopy cross polarization technique to then transfer this large polarization to the /sup 13/C spin system. Optical Nuclear Polarization (ONP) of acridine-doped fluorene single crystals was studied. In addition, ONP of powdered samples of the acridine-doped fluorene was studied. In general, many compounds do not crystallize easily or do not form large crystals suitable for NMR experiments. Powdered, amorphous and randomly dispersed samples are generally far more readily available than single crystals. One objective of this work has been to (first) create large /sup 1/H polarizations. Although large optical proton polarizations in single crystals have been reported previously, optically generated polarizations in powdered samples have not been reported. For these reasons, ONP studies of powdered samples of the acridine-doped fluorene were also undertaken. Using ONP in combination with the proton enhanced nuclear induction spectroscopy experiment, large /sup 13/C polarizations have been created in fluorene single crystals. These large /sup 13/C polarizations have permitted the determination of the seven incongruent chemical shielding tensors of the fluorene molecule. Part 2 of this thesis describes the proton enhanced nuclear induction spectroscopy experiment. Part 3 describes the ONP experiment. Part 4 is a description of the experimental set-up. Part 5 describes the data analysis for the determination of the chemical shielding tensors. Part 6 presents the results of the ONP experiments performed in this work and the chemical shielding tensors determined.

  5. Modeling of nonlinear responses for reciprocal transducers involving polarization switching

    DEFF Research Database (Denmark)

    Willatzen, Morten; Wang, Linxiang

    2007-01-01

    Nonlinearities and hysteresis effects in a reciprocal PZT transducer are examined by use of a dynamical mathematical model on the basis of phase-transition theory. In particular, we consider the perovskite piezoelectric ceramic in which the polarization process in the material can be modeled...... by Landau theory for the first-order phase transformation, in which each polarization state is associated with a minimum of the Landau free-energy function. Nonlinear constitutive laws are obtained by using thermodynamical equilibrium conditions, and hysteretic behavior of the material can be modeled...

  6. Variations in ultraviolet extinction: effect of polarization revisited

    International Nuclear Information System (INIS)

    Greenberg, J.M.; Chlewicki, G.; Rijksuniversiteit Groningen

    1987-01-01

    The alignment of the particles responsible for the polarization and visual extinction is shown to provide a basis for changing the saturation level of the ultraviolet extinction without changing the particle sizes. If the particles are well aligned, it is predicted that there should be significantly lower extinction in the ultraviolet relative to the visible for stars viewed perpendicular to magnetic-field lines (maximum polarization) as compared with those viewed across the field lines. Preliminary evidence for such an effect is noted in Carina. (author)

  7. Linearly Polarized IR Spectroscopy Theory and Applications for Structural Analysis

    CERN Document Server

    Kolev, Tsonko

    2011-01-01

    A technique that is useful in the study of pharmaceutical products and biological molecules, polarization IR spectroscopy has undergone continuous development since it first emerged almost 100 years ago. Capturing the state of the science as it exists today, "Linearly Polarized IR Spectroscopy: Theory and Applications for Structural Analysis" demonstrates how the technique can be properly utilized to obtain important information about the structure and spectral properties of oriented compounds. The book starts with the theoretical basis of linear-dichroic infrared (IR-LD) spectroscop

  8. Acceptable risk as a basis for design

    International Nuclear Information System (INIS)

    Vrijling, J.K.; Hengel, W. van; Houben, R.J.

    1998-01-01

    Historically, human civilisations have striven to protect themselves against natural and man-made hazards. The degree of protection is a matter of political choice. Today this choice should be expressed in terms of risk and acceptable probability of failure to form the basis of the probabilistic design of the protection. It is additionally argued that the choice for a certain technology and the connected risk is made in a cost-benefit framework. The benefits and the costs including risk are weighed in the decision process. A set of rules for the evaluation of risk is proposed and tested in cases. The set of rules leads to technical advice in a question that has to be decided politically

  9. On polar daily geomagnetic variation

    Directory of Open Access Journals (Sweden)

    Paola De Michelis

    2015-11-01

    Full Text Available The aim of this work is to investigate the nature of the daily magnetic field perturbations produced by ionospheric and magnetospheric currents at high latitudes. We analyse the hourly means of the X and Y geomagnetic field components recorded by a meridian chain of permanent geomagnetic observatories in the polar region of the Northern Hemisphere during a period of four years (1995-1998 around the solar minimum. We apply a mathematical method, known as natural orthogonal component (NOC, which is capable of characterizing the dominant modes of the geomagnetic field daily variability through a set of empirical orthogonal functions (EOFs. Using the first two modes we reconstruct a two-dimensional equivalent current representation of the ionospheric electric currents, which contribute substantially to the geomagnetic daily variations. The obtained current structures resemble the equivalent current patterns of DP2 and DP1. We characterize these currents by studying their evolution with the geomagnetic activity level and by analysing their dependence on the interplanetary magnetic field. The obtained results support the idea of a coexistence of two main processes during all analysed period although one of them, the directly driven process, represents the dominant component of the geomagnetic daily variation.

  10. Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization

    Energy Technology Data Exchange (ETDEWEB)

    Christensen, Anders S., E-mail: andersx@chem.wisc.edu, E-mail: cui@chem.wisc.edu; Cui, Qiang, E-mail: andersx@chem.wisc.edu, E-mail: cui@chem.wisc.edu [Department of Chemistry, University of Wisconsin-Madison, 1101 University Ave., Madison, Wisconsin 53706 (United States); Elstner, Marcus [Theoretische Chemische Biologie, Universität Karlsruhe, Kaiserstr. 12, 76131 Karlsruhe (Germany)

    2015-08-28

    Semi-empirical quantum mechanical methods traditionally expand the electron density in a minimal, valence-only electron basis set. The minimal-basis approximation causes molecular polarization to be underestimated, and hence intermolecular interaction energies are also underestimated, especially for intermolecular interactions involving charged species. In this work, the third-order self-consistent charge density functional tight-binding method (DFTB3) is augmented with an auxiliary response density using the chemical-potential equalization (CPE) method and an empirical dispersion correction (D3). The parameters in the CPE and D3 models are fitted to high-level CCSD(T) reference interaction energies for a broad range of chemical species, as well as dipole moments calculated at the DFT level; the impact of including polarizabilities of molecules in the parameterization is also considered. Parameters for the elements H, C, N, O, and S are presented. The Root Mean Square Deviation (RMSD) interaction energy is improved from 6.07 kcal/mol to 1.49 kcal/mol for interactions with one charged species, whereas the RMSD is improved from 5.60 kcal/mol to 1.73 for a set of 9 salt bridges, compared to uncorrected DFTB3. For large water clusters and complexes that are dominated by dispersion interactions, the already satisfactory performance of the DFTB3-D3 model is retained; polarizabilities of neutral molecules are also notably improved. Overall, the CPE extension of DFTB3-D3 provides a more balanced description of different types of non-covalent interactions than Neglect of Diatomic Differential Overlap type of semi-empirical methods (e.g., PM6-D3H4) and PBE-D3 with modest basis sets.

  11. Polar Biomedical Research - An Assessment.

    Science.gov (United States)

    1982-10-01

    to grow more crops in subpolar Alaska. The severity of the polar conditions in Antarctica allow no practical method for providing volumes of plant food...for an expanded population. Any experiments in polar regions in food production involving geothermal heat, solar energy, hydroponics , or aquaculture

  12. Create a Polarized Light Show.

    Science.gov (United States)

    Conrad, William H.

    1992-01-01

    Presents a lesson that introduces students to polarized light using a problem-solving approach. After illustrating the concept using a slinky and poster board with a vertical slot, students solve the problem of creating a polarized light show using Polya's problem-solving methods. (MDH)

  13. Carbon nanotube fiber terahertz polarizer

    Energy Technology Data Exchange (ETDEWEB)

    Zubair, Ahmed [Department of Electrical and Computer Engineering, Rice University, Houston, Texas 77005 (United States); Tsentalovich, Dmitri E.; Young, Colin C. [Department of Chemical and Biomolecular Engineering, Rice University, Houston, Texas 77005 (United States); Heimbeck, Martin S. [Charles M. Bowden Laboratory, Aviation & Missile Research, Development, and Engineering Center (AMRDEC), Redstone Arsenal, Alabama 35898 (United States); Everitt, Henry O. [Department of Electrical and Computer Engineering, Rice University, Houston, Texas 77005 (United States); Charles M. Bowden Laboratory, Aviation & Missile Research, Development, and Engineering Center (AMRDEC), Redstone Arsenal, Alabama 35898 (United States); Pasquali, Matteo [Department of Chemical and Biomolecular Engineering, Rice University, Houston, Texas 77005 (United States); Department of Chemistry, Rice University, Houston, Texas 77005 (United States); Department of Materials Science and NanoEngineering, Rice University, Houston, Texas 77005 (United States); Kono, Junichiro, E-mail: kono@rice.edu [Department of Electrical and Computer Engineering, Rice University, Houston, Texas 77005 (United States); Department of Materials Science and NanoEngineering, Rice University, Houston, Texas 77005 (United States); Department of Physics and Astronomy, Rice University, Houston, Texas 77005 (United States)

    2016-04-04

    Conventional, commercially available terahertz (THz) polarizers are made of uniformly and precisely spaced metallic wires. They are fragile and expensive, with performance characteristics highly reliant on wire diameters and spacings. Here, we report a simple and highly error-tolerant method for fabricating a freestanding THz polarizer with nearly ideal performance, reliant on the intrinsically one-dimensional character of conduction electrons in well-aligned carbon nanotubes (CNTs). The polarizer was constructed on a mechanical frame over which we manually wound acid-doped CNT fibers with ultrahigh electrical conductivity. We demonstrated that the polarizer has an extinction ratio of ∼−30 dB with a low insertion loss (<0.5 dB) throughout a frequency range of 0.2–1.1 THz. In addition, we used a THz ellipsometer to measure the Müller matrix of the CNT-fiber polarizer and found comparable attenuation to a commercial metallic wire-grid polarizer. Furthermore, based on the classical theory of light transmission through an array of metallic wires, we demonstrated the most striking difference between the CNT-fiber and metallic wire-grid polarizers: the latter fails to work in the zero-spacing limit, where it acts as a simple mirror, while the former continues to work as an excellent polarizer even in that limit due to the one-dimensional conductivity of individual CNTs.

  14. Polarization-preserving holey fibers

    DEFF Research Database (Denmark)

    Broeng, Jes; Mogilevtsev, Dmitri; Libori, Stig E. Barkou

    2001-01-01

    In this work we suggest and discuss a microstructure of air capillaries with elliptical cross-section in a tread of glass that gives opportunity for Creation of polarization-preserving fiber with very small beat length between the fundamental modes of different polarization...

  15. Polarized Scintillating Targets at Psi

    Science.gov (United States)

    van den Brandt, B.; Bunyatova, E. I.; Hautle, P.; Konter, J. A.; Mango, S.

    2001-02-01

    Scintillating polarized targets are now routinely available: blocks of 18×18×5 mm scintillating organic polymer, doped with TEMPO, polarized dynamically in a field of 2.5 T in a vertical 3He-4He dilution refrigerator. A 19 mm diameter plastic lightguide transports the scintillation light from the sample in the mixing chamber to a photomultiplier outside the cryostat.

  16. UV Coatings, Polarization, and Coronagraphy

    Science.gov (United States)

    Bolcar, Matthew R.; Quijada, Manuel; West, Garrett; Balasubramanian, Bala; Krist, John; Martin, Stefan; Sabatke, Derek

    2016-01-01

    Presenation for the Large UltraViolet Optical Infrared (LUVOIR) and Habitable Exoplanet Imager (HabEx) Science and Technology Definition Teams (STDT) on technical considerations regarding ultraviolet coatings, polarization, and coronagraphy. The presentations review the state-of-the-art in ultraviolet coatings, how those coatings generate polarization aberrations, and recent study results from both the LUVOIR and HabEx teams.

  17. Polarization Imaging and Insect Vision

    Science.gov (United States)

    Green, Adam S.; Ohmann, Paul R.; Leininger, Nick E.; Kavanaugh, James A.

    2010-01-01

    For several years we have included discussions about insect vision in the optics units of our introductory physics courses. This topic is a natural extension of demonstrations involving Brewster's reflection and Rayleigh scattering of polarized light because many insects heavily rely on optical polarization for navigation and communication.…

  18. Climate Drives Polar Bear Origins

    Science.gov (United States)

    In their provocative analysis of northern bears (“Nuclear genomic sequences reveal that polar bears are an old and distinct bear lineage,” Reports, 20 April, p. 344), F. Hailer et al. use independent nuclear loci to show that polar bears originated during the middle Pleistocene, rather than during t...

  19. Genetic basis of chronic pancreatitis

    NARCIS (Netherlands)

    Jansen, JBMJ; Morsche, RT; van Goor, Harry; Drenth, JPH

    2002-01-01

    Background: Pancreatitis has a proven genetic basis in a minority of patients. Methods: Review of the literature on genetics of pancreatitis. Results: Ever since the discovery that in most patients with hereditary pancreatitis a mutation in the gene encoding for cationic trypsinogen (R122H) was

  20. Ellipsoidal basis for isotropic oscillator

    International Nuclear Information System (INIS)

    Kallies, W.; Lukac, I.; Pogosyan, G.S.; Sisakyan, A.N.

    1994-01-01

    The solutions of the Schroedinger equation are derived for the isotropic oscillator potential in the ellipsoidal coordinate system. The explicit expression is obtained for the ellipsoidal integrals of motion through the components of the orbital moment and Demkov's tensor. The explicit form of the ellipsoidal basis is given for the lowest quantum numbers. 10 refs.; 1 tab. (author)

  1. Mixtures of truncated basis functions

    DEFF Research Database (Denmark)

    Langseth, Helge; Nielsen, Thomas Dyhre; Rumí, Rafael

    2012-01-01

    In this paper we propose a framework, called mixtures of truncated basis functions (MoTBFs), for representing general hybrid Bayesian networks. The proposed framework generalizes both the mixture of truncated exponentials (MTEs) framework and the mixture of polynomials (MoPs) framework. Similar...

  2. Molecular basis of familial hypercholesterolemia

    NARCIS (Netherlands)

    Bruikman, Caroline S.; Hovingh, Gerard K.; Kastelein, John J. P.

    2017-01-01

    Purpose of review To provide an overview about the molecular basis of familial hypercholesterolemia. Recent findings Familial hypercholesterolemia is a common hereditary cause of premature coronary heart disease. It has been estimated that 1 in every 250 individuals has heterozygous familial

  3. Grobner Basis Representations of Sudoku

    Science.gov (United States)

    Taalman, Laura; Arnold, Elizabeth; Lucas, Stephen

    2010-01-01

    This paper uses Grobner bases to explore the inherent structure of Sudoku puzzles and boards. In particular, we develop three different ways of representing the constraints of Sudoku puzzles with a system of polynomial equations. In one case, we explicitly show how a Grobner basis can be used to obtain a more meaningful representation of the…

  4. Basis reduction for layered lattices

    NARCIS (Netherlands)

    E.L. Torreão Dassen (Erwin)

    2011-01-01

    htmlabstractWe develop the theory of layered Euclidean spaces and layered lattices. With this new theory certain problems that usually are solved by using classical lattices with a "weighting" gain a new, more natural form. Using the layered lattice basis reduction algorithms introduced here these

  5. Thermodynamic basis for cluster kinetics

    DEFF Research Database (Denmark)

    Hu, Lina; Bian, Xiufang; Qin, Xubo

    2006-01-01

    Due to the inaccessibility of the supercooled region of marginal metallic glasses (MMGs) within the experimental time window, we study the cluster kinetics above the liquidus temperature, Tl, to acquire information on the fragility of the MMG systems. Thermodynamic basis for the stability...

  6. Polar bodies in assisted reproductive technology: current progress and future perspectives.

    Science.gov (United States)

    Wei, Yanchang; Zhang, Teng; Wang, Ya-Peng; Schatten, Heide; Sun, Qing-Yuan

    2015-01-01

    During meiotic cell-cycle progression, unequal divisions take place, resulting in a large oocyte and two diminutive polar bodies. The first polar body contains a subset of bivalent chromosomes, whereas the second polar body contains a haploid set of chromatids. One unique feature of the female gamete is that the polar bodies can provide beneficial information about the genetic background of the oocyte without potentially destroying it. Therefore, polar body biopsies have been applied in preimplantation genetic diagnosis to detect chromosomal or genetic abnormalities that might be inherited by the offspring. Besides the traditional use in preimplantation diagnosis, recent findings suggest additional important roles for polar bodies in assisted reproductive technology. In this paper, we review the new roles of polar bodies in assisted reproductive technology, mainly focusing on single-cell sequencing of the polar body genome to deduce the genomic information of its sibling oocyte and on polar body transfer to prevent the transmission of mtDNA-associated diseases. We also discuss additional potential roles for polar bodies and related key questions in human reproductive health. We believe that further exploration of new roles for polar bodies will contribute to a better understanding of reproductive health and that polar body manipulation and diagnosis will allow production of a greater number of healthy babies. © 2015 by the Society for the Study of Reproduction, Inc.

  7. Integrins and epithelial cell polarity.

    Science.gov (United States)

    Lee, Jessica L; Streuli, Charles H

    2014-08-01

    Cell polarity is characterised by differences in structure, composition and function between at least two poles of a cell. In epithelial cells, these spatial differences allow for the formation of defined apical and basal membranes. It has been increasingly recognised that cell-matrix interactions and integrins play an essential role in creating epithelial cell polarity, although key gaps in our knowledge remain. This Commentary will discuss the mounting evidence for the role of integrins in polarising epithelial cells. We build a model in which both inside-out signals to polarise basement membrane assembly at the basal surface, and outside-in signals to control microtubule apical-basal orientation and vesicular trafficking are required for establishing and maintaining the orientation of epithelial cell polarity. Finally, we discuss the relevance of the basal integrin polarity axis to cancer. This article is part of a Minifocus on Establishing polarity. © 2014. Published by The Company of Biologists Ltd.

  8. Solving structure in the CP29 light harvesting complex with polarization-phased 2D electronic spectroscopy

    Science.gov (United States)

    Ginsberg, Naomi S.; Davis, Jeffrey A.; Ballottari, Matteo; Cheng, Yuan-Chung; Bassi, Roberto; Fleming, Graham R.

    2011-01-01

    The CP29 light harvesting complex from green plants is a pigment-protein complex believed to collect, conduct, and quench electronic excitation energy in photosynthesis. We have spectroscopically determined the relative angle between electronic transition dipole moments of its chlorophyll excitation energy transfer pairs in their local protein environments without relying on simulations or an X-ray crystal structure. To do so, we measure a basis set of polarized 2D electronic spectra and isolate their absorptive components on account of the tensor relation between the light polarization sequences used to obtain them. This broadly applicable advance further enhances the acuity of polarized 2D electronic spectroscopy and provides a general means to initiate or feed back on the structural modeling of electronically-coupled chromophores in condensed phase systems, tightening the inferred relations between the spatial and electronic landscapes of ultrafast energy flow. We also discuss the pigment composition of CP29 in the context of light harvesting, energy channeling, and photoprotection within photosystem II. PMID:21321222

  9. A review of polarized ion sources

    International Nuclear Information System (INIS)

    Schmor, P.W.

    1995-06-01

    The two main types of polarized ion sources in use on accelerators today are the Atomic Beam Polarized Ion Source (ABIS) source and the Optically Pumped Polarized Ion Source (OPPIS). Both types can provide beams of nuclearly polarized light ions which are either positively or negatively charged. Heavy ion polarized ion sources for accelerators are being developed. (author). 35 refs., 1 tab

  10. Promoting Diversity Through Polar Interdisciplinary Coordinated Education (Polar ICE)

    Science.gov (United States)

    McDonnell, J. D.; Hotaling, L. A.; Garza, C.; Van Dyk, P. B.; Hunter-thomson, K. I.; Middendorf, J.; Daniel, A.; Matsumoto, G. I.; Schofield, O.

    2017-12-01

    Polar Interdisciplinary Coordinated Education (ICE) is an education and outreach program designed to provide public access to the Antarctic and Arctic regions through polar data and interactions with the scientists. The program provides multi-faceted science communication training for early career scientists that consist of a face-to face workshop and opportunities to apply these skills. The key components of the scientist training workshop include cultural competency training, deconstructing/decoding science for non-expert audiences, the art of telling science stories, and networking with members of the education and outreach community and reflecting on communication skills. Scientists partner with educators to provide professional development for K-12 educators and support for student research symposia. Polar ICE has initiated a Polar Literacy initiative that provides both a grounding in big ideas in polar science and science communication training designed to underscore the importance of the Polar Regions to the public while promoting interdisciplinary collaborations between scientists and educators. Our ultimate objective is to promote STEM identity through professional development of scientists and educators while developing career awareness of STEM pathways in Polar science.

  11. Polarization-based all-optical logic operations in volume holographic photopolymer

    Science.gov (United States)

    Li, Chengmingyue; Cao, Liangcai; Li, Jingming; Wang, Zheng; Jin, Guofan

    2014-11-01

    Polarization-based all-optical logic operations were realized with dual-channel polarization holographic recording system. The polarization property of 9, 10-phenanthrenequinone-doped poly-methyl methacrylate (PQ/PMMA) photopolymer is investigated experimentally. To accurately represent the optical operations, the diffraction efficiency of parallel and orthogonal polarization recording in PQ/PMMA with the thickness of 1 mm are characterized for holographic recording and reconstruction process. A dual-channel polarization holographic recording system is set up for simultaneously recording two input pages. By changing the polarization state of the diffraction beam, all-optical logic OR and NAND operations are realized in the volume holograms. The polarization-based all-optical logic operations in the volume holographic photopolymer may pave a way for practical all-optical logic devices with high speed and large information capacity.

  12. Polarity Assignment to Causal Information Extracted from Financial Articles Concerning Business Performance of Companies

    Science.gov (United States)

    Sakai, Hiroyuki; Masuyama, Shigeru

    We propose a method of assigning polarity to causal information extracted from Japanese financial articles concerning business performance of companies. Our method assigns polarity (positive or negative) according to business performance to causal information, e.g. "zidousya no uriage ga koutyou: (Sales of cars are good)" (The polarity positive is assigned in this example.). First, our method classifies articles concerning business performance into positive articles and negative articles. Using this classified sets of articles, our method assigns polarity (positive or negative) to causal information extracted from the set of articles concerning business performance. We evaluated our method and it attained 75.3% precision and 47.9% recall of assigning polarity positive, and 77.0% precision and 58.5% recall of assigning polarity negative, respectively.

  13. COMPASS polarized Drell-Yan experiment

    CERN Document Server

    Doshita, Norihiro

    2016-01-01

    The COMPASS II started at 2012 that includes polarized Drell-Yan program with a polarized solid target. The availability of pion beam provides an access to the Drell-Yan physics throughout the process where quark(target)-antiquark(beam) pair annihilates electromagnetically with a production of dilepton pair. Study of angular dependencies of the Drell-Yan process cross-section allows us to access to parton distribution functions (PDFs) or, more precisely, a convolutions of various PDFs. The transversely polarized target together with negative pion beam is an important feature of the COMPASS Drell-Yan experiment, that provides us with unique data on transverse momentum dependent (TMD) PDFs. After a plot run in 2014, the experiment has just started in 2015. The role of the Drell-Yan experiment at COMPASS in TMD PDFs study, with a comparison to semi-inclusive deep inelastic scattering experiment, is described. The experimental set-up, the status of the data taking in 2015 and preliminary analysis results in the 2...

  14. Sudden polarization effect in methyl-substituted twisted polyenes

    International Nuclear Information System (INIS)

    Baraldi, I.; Bruni, M.C.; Momicchioli, F.; Ponterini, G.

    1981-01-01

    Sudden polarization effect was investigated for a special type of nonsymmetric biradical systems, i.e. terminally twisted polyenes methyl substituted at the rotated CH 2 group. Systems with 2 to 4 conjugated double bonds were studied. Dipole moments of S 0 , S 1 and S 2 states were calculated within the framework of the INDO approximations, by using a dual basis of SCF MOs (open shell and closed shell) and performing differently sized CIs (selected with reference to the basic 3 x 3 CI biradical description). The resulting excited-state polarization characteristics (size and suddenness) are discussed with reference to the previously studied unsubstituted polyenes. In this respect the most important point is that CH 3 substitution at the terminal twisted methylene markedly enhances the polarization size (approximately 2D). This indicates that small perturbations occurring at one radical site may cause unexpectedly large changes in charge distributions of excited biradicals. (author)

  15. POLARIZED LIGHT IN PHYSIOTHERAPY

    Directory of Open Access Journals (Sweden)

    L. D. Tondiy

    2015-12-01

    Full Text Available The data on polarized light (PS - a new promising treatment, rehabilitation and prevention, which took its deserved place among the known therapeutic physical factors and may even compete with laser radiation of low and LED therapy. It is reflected the significant contribution of domestic scientists in the study of aircraft action on the body, its introduction in the treatment, rehabilitation and prevention of grippe, ARI. These action's mechanisms of the aircraft on the electro-physiological processes in the body that have the leading role in the regulation of its life. The new moment in the study of aircraft on the body is the evidence of its positive impact on the mechanisms of self body - its different units: the disease's banning - a revitalization of the stress-protective, stress-limiting system antioxidial, detoxification and other protection systems, the formation by the body antiviral and antimicrobial specific substances (interferon and lysozyme, activation of the immune system, phagocytosis, protective functions of skin. The protective and mobilizing role of the second link is studied: which is triggered in case of occurrence of disease or preexisting diseases: PL mobilized processes of restitution, reparations, compensation, immunity and microcirculation. The authors studied the possibility of aircraft's using to enhance performance, reduce side effects of physical factors, which are often used in the treatment (electric methods, treatment by sound, fresh and mineral water, etc..

  16. A solid-state dedicated circularly polarized luminescence spectrophotometer: Development and application.

    Science.gov (United States)

    Harada, Takunori; Hayakawa, Hiroshi; Watanabe, Masayuki; Takamoto, Makoto

    2016-07-01

    A new solid-state dedicated circularly polarized luminescence (CPL) instrument (CPL-200CD) was successfully developed for measuring true CPL spectra for optically anisotropic samples on the basis of the Stokes-Mueller matrix approach. Electric components newly installed in the CPL-200CD include a pulse motor-driven sample rotation holder and a 100 kHz lock-in amplifier to achieve the linearly polarized luminescence measurement, which is essential for obtaining the true CPL signal for optically anisotropic samples. An acquisition approach devised for solid-state CPL analysis reduces the measurement times for a data set by ca. 98% compared with the time required in our previous method. As a result, the developed approach is very effective for samples susceptible to light-induced degradation. The theory and implementation of the method are described, and examples of its application to a CPL sample with macroscopic anisotropies are provided. An important advantage of the developed instrument is its ability to obtain molecular information for both excited and ground states because circular dichroism measurements can be performed by switching the monochromatic light to white light without rearrangement of the sample.

  17. Zernike Basis to Cartesian Transformations

    Directory of Open Access Journals (Sweden)

    Mathar, R. J.

    2009-12-01

    Full Text Available The radial polynomials of the 2D (circular and 3D (spherical Zernike functions are tabulated as powers of the radial distance. The reciprocal tabulation of powers of the radial distance in series of radial polynomials is also given, based on projections that take advantage of the orthogonality of the polynomials over the unit interval. They play a role in the expansion of products of the polynomials into sums, which is demonstrated by some examples. Multiplication of the polynomials by the angular bases (azimuth, polar angle defines the Zernike functions, for which we derive transformations to and from the Cartesian coordinate system centered at the middle of the circle or sphere.

  18. Zernike basis to cartesian transformations

    Directory of Open Access Journals (Sweden)

    Mathar R.J.

    2009-01-01

    Full Text Available The radial polynomials of the 2D (circular and 3D (spherical Zernike functions are tabulated as powers of the radial distance. The reciprocal tabulation of powers of the radial distance in series of radial polynomials is also given, based on projections that take advantage of the orthogonality of the polynomials over the unit interval. They play a role in the expansion of products of the polynomials into sums, which is demonstrated by some examples. Multiplication of the polynomials by the angular bases (azimuth, polar angle defines the Zernike functions, for which we derive transformations to and from the Cartesian coordinate system centered at the middle of the circle or sphere.

  19. Hanford Generic Interim Safety Basis

    Energy Technology Data Exchange (ETDEWEB)

    Lavender, J.C.

    1994-09-09

    The purpose of this document is to identify WHC programs and requirements that are an integral part of the authorization basis for nuclear facilities that are generic to all WHC-managed facilities. The purpose of these programs is to implement the DOE Orders, as WHC becomes contractually obligated to implement them. The Hanford Generic ISB focuses on the institutional controls and safety requirements identified in DOE Order 5480.23, Nuclear Safety Analysis Reports.

  20. Hanford Generic Interim Safety Basis

    International Nuclear Information System (INIS)

    Lavender, J.C.

    1994-01-01

    The purpose of this document is to identify WHC programs and requirements that are an integral part of the authorization basis for nuclear facilities that are generic to all WHC-managed facilities. The purpose of these programs is to implement the DOE Orders, as WHC becomes contractually obligated to implement them. The Hanford Generic ISB focuses on the institutional controls and safety requirements identified in DOE Order 5480.23, Nuclear Safety Analysis Reports

  1. Genetic basis of atrial fibrillation

    Directory of Open Access Journals (Sweden)

    Oscar Campuzano

    2016-12-01

    Full Text Available Atrial fibrillation is the most common sustained arrhythmia and remains as one of main challenges in current clinical practice. The disease may be induced secondary to other diseases such as hypertension, valvular heart disease, and heart failure, conferring an increased risk of stroke and sudden death. Epidemiological studies have provided evidence that genetic factors play an important role and up to 30% of clinically diagnosed patients may have a family history of atrial fibrillation. To date, several rare variants have been identified in a wide range of genes associated with ionic channels, calcium handling protein, fibrosis, conduction and inflammation. Important advances in clinical, genetic and molecular basis have been performed over the last decade, improving diagnosis and treatment. However, the genetics of atrial fibrillation is complex and pathophysiological data remains still unraveling. A better understanding of the genetic basis will induce accurate risk stratification and personalized clinical treatment. In this review, we have focused on current genetics basis of atrial fibrillation.

  2. Application of Geometric Polarization to Invariance Properties in Bistatic Scattering

    Directory of Open Access Journals (Sweden)

    D. H. O. Bebbington

    2005-01-01

    Full Text Available Bistatic polarimetric radars provide target properties which just one monostatic system can not reveal. Moreover, augmentation of monostatic systems through the provision of bistatic receive-only stations can be a cheap way to increase the amount of remote sensing data. However, bistatic scattering needs to be investigated in order to properly define target properties such as symmetries and invariance, especially regarding choices of polarization basis. In this paper we discuss how the geometric theory of polarization, in which the geometry of the Poincaré sphere is directly related to 3-D geometry of space rather than the 2-D geometry of the wavefront plane, can be used to reduce the ambiguities in the interpretation of data. We also show how in the coherent case a complex scalar invariant can be determined irrespective of the basis combinations.

  3. A Fuzzy Computing Model for Identifying Polarity of Chinese Sentiment Words

    OpenAIRE

    Wang, Bingkun; Huang, Yongfeng; Wu, Xian; Li, Xing

    2015-01-01

    With the spurt of online user-generated contents on web, sentiment analysis has become a very active research issue in data mining and natural language processing. As the most important indicator of sentiment, sentiment words which convey positive and negative polarity are quite instrumental for sentiment analysis. However, most of the existing methods for identifying polarity of sentiment words only consider the positive and negative polarity by the Cantor set, and no attention is paid to th...

  4. Few-body experiments with polarized beams and polarized targets

    International Nuclear Information System (INIS)

    Simmons, J.E.

    1983-01-01

    A survey is presented concerning recent polarization experiments in the elastic p-d, p- 3 He, and p- 4 He systems. Mention is made of selected neutron experiments. The nominal energy range is 10 to 1000 MeV. Recent results and interpretations of the p-d system near 10 MeV are discussed. New experiments on the energy dependence of back angle p-d tensor polarization are discussed with respect to resolution of discrepancies and difficulty of theoretical interpretation. Progress is noted concerning multiple scattering interpretation of forward p-d deuteron polarization. Some new results are presented concerning the p- 3 He system and higher energy p- 4 He polarization experiments. 52 references

  5. SIS - Species and Stock Administrative Data Set

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Species and Stock Administrative data set within the Species Information System (SIS) defines entities within the database that serve as the basis for recording...

  6. Web Enabled DROLS Verity TopicSets

    National Research Council Canada - National Science Library

    Tong, Richard

    1999-01-01

    The focus of this effort has been the design and development of automatically generated TopicSets and HTML pages that provide the basis of the required search and browsing capability for DTIC's Web Enabled DROLS System...

  7. Polarized Parton Distributions at an Electron-Ion Collider

    CERN Document Server

    Ball, Richard D.; Guffanti, Alberto; Nocera, Emanuele R.; Ridolfi, Giovanni; Rojo, Juan

    2014-01-01

    We study the potential impact of inclusive deep-inelastic scattering data from a future electron-ion collider (EIC) on longitudinally polarized parton distribution (PDFs). We perform a PDF determination using the NNPDF methodology, based on sets of deep-inelastic EIC pseudodata, for different realistic choices of the electron and proton beam energies. We compare the results to our current polarized PDF set, NNPDFpol1.0, based on a fit to fixed-target inclusive DIS data. We show that the uncertainties on the first moments of the polarized quark singlet and gluon distributions are substantially reduced in comparison to NNPDFpol1.0, but also that more measurements may be needed to ultimately pin down the size of the gluon contribution to the nucleon spin.

  8. Polarized parton distributions at an electron–ion collider

    Energy Technology Data Exchange (ETDEWEB)

    Ball, Richard D. [Tait Institute, University of Edinburgh, JCMB, KB, Mayfield Rd, Edinburgh EH9 3JZ, Scotland (United Kingdom); Forte, Stefano [Dipartimento di Fisica, Università di Milano and INFN, Sezione di Milano, Via Celoria 16, I-20133 Milano (Italy); Guffanti, Alberto [The Niels Bohr International Academy and Discovery Center, The Niels Bohr Institute, Blegdamsvej 17, DK-2100 Copenhagen (Denmark); Nocera, Emanuele R. [Dipartimento di Fisica, Università di Milano and INFN, Sezione di Milano, Via Celoria 16, I-20133 Milano (Italy); Ridolfi, Giovanni [Dipartimento di Fisica, Università di Genova and INFN, Sezione di Genova, Genova (Italy); Rojo, Juan [PH Department, TH Unit, CERN, CH-1211 Geneva 23 (Switzerland)

    2014-01-20

    We study the potential impact of inclusive deep-inelastic scattering data from a future electron–ion collider (EIC) on longitudinally polarized parton distributions (PDFs). We perform a PDF determination using the NNPDF methodology, based on sets of deep-inelastic EIC pseudodata, for different realistic choices of the electron and proton beam energies. We compare the results to our current polarized PDF set, NNPDFpol1.0, based on a fit to fixed-target inclusive DIS data. We show that the uncertainties on the first moments of the polarized quark singlet and gluon distributions are substantially reduced in comparison to NNPDFpol1.0, but also that more measurements may be needed to ultimately pin down the size of the gluon contribution to the nucleon spin.

  9. Polarized parton distributions at an electron–ion collider

    International Nuclear Information System (INIS)

    Ball, Richard D.; Forte, Stefano; Guffanti, Alberto; Nocera, Emanuele R.; Ridolfi, Giovanni; Rojo, Juan

    2014-01-01

    We study the potential impact of inclusive deep-inelastic scattering data from a future electron–ion collider (EIC) on longitudinally polarized parton distributions (PDFs). We perform a PDF determination using the NNPDF methodology, based on sets of deep-inelastic EIC pseudodata, for different realistic choices of the electron and proton beam energies. We compare the results to our current polarized PDF set, NNPDFpol1.0, based on a fit to fixed-target inclusive DIS data. We show that the uncertainties on the first moments of the polarized quark singlet and gluon distributions are substantially reduced in comparison to NNPDFpol1.0, but also that more measurements may be needed to ultimately pin down the size of the gluon contribution to the nucleon spin

  10. Elite Polarization and Public Opinion

    DEFF Research Database (Denmark)

    Robison, Joshua; Mullinix, Kevin

    2016-01-01

    Elite polarization has reshaped American politics and is an increasingly salient aspect of news coverage within the United States. As a consequence, a burgeoning body of research attempts to unravel the effects of elite polarization on the mass public. However, we know very little about how...... attitudes. In our first study, we show that criticism of polarization leads partisans to more positively evaluate the argument offered by their non-preferred party, increases support for bi-partisanship, but ultimately does not change the extent to which partisans follow their party’s policy endorsements...

  11. Acceleration of polarized proton beams

    International Nuclear Information System (INIS)

    Roser, T.

    1998-01-01

    The acceleration of polarized beams in circular accelerators is complicated by the numerous depolarizing spin resonances. Using a partial Siberian snake and a rf dipole that ensure stable adiabatic spin motion during acceleration has made it possible to accelerate polarized protons to 25 GeV at the Brookhaven AGS. Full Siberian snakes are being developed for RHIC to make the acceleration of polarized protons to 250 GeV possible. A similar scheme is being studied for the 800 GeV HERA proton accelerator

  12. PolarHub: A Global Hub for Polar Data Discovery

    Science.gov (United States)

    Li, W.

    2014-12-01

    This paper reports the outcome of a NSF project in developing a large-scale web crawler PolarHub to discover automatically the distributed polar dataset in the format of OGC web services (OWS) in the cyberspace. PolarHub is a machine robot; its goal is to visit as many webpages as possible to find those containing information about polar OWS, extract this information and store it into the backend data repository. This is a very challenging task given huge data volume of webpages on the Web. Three unique features was introduced in PolarHub to make it distinctive from earlier crawler solutions: (1) a multi-task, multi-user, multi-thread support to the crawling tasks; (2) an extensive use of thread pool and Data Access Object (DAO) design patterns to separate persistent data storage and business logic to achieve high extendibility of the crawler tool; (3) a pattern-matching based customizable crawling algorithm to support discovery of multi-type geospatial web services; and (4) a universal and portable client-server communication mechanism combining a server-push and client pull strategies for enhanced asynchronous processing. A series of experiments were conducted to identify the impact of crawling parameters to the overall system performance. The geographical distribution pattern of all PolarHub identified services is also demonstrated. We expect this work to make a major contribution to the field of geospatial information retrieval and geospatial interoperability, to bridge the gap between data provider and data consumer, and to accelerate polar science by enhancing the accessibility and reusability of adequate polar data.

  13. Conceptual basis of the master directed diagram

    International Nuclear Information System (INIS)

    Kelly, M.; Billington, D.

    1998-01-01

    This document forms part of a suite of documents describing the Nirex model development programme. The programme is designed to provide a clear audit trail from the identification of significant features, events and processes (FEPs) to the models and modelling processes employed within a detailed safety assessment. A five stage approach has been adopted, which provides a systematic framework for addressing uncertainty and for the documentation of all modelling decisions and assumptions. The five stages are as follows: Stage 1: EP analysis - compilation and structuring of a FEP database; Stage 2: Scenario and conceptual model development; Stage 3: mathematical model development; Stage 4: Software development; Stage 5: confidence building. This report describes the work involved in Stage 1 of the Nirex model development programme, FEP analysis. The aim of FEP analysis is to produce a set of FEPs and FEP interactions that form the basis for the scenario and conceptual model development in Stage 2. There are two requirements for the set of FEPs and FEP interactions; first, all aspects material to the performance of the disposal system should be covered, i.e. the set should be comprehensive, and secondly a clear audit trail of decisions, consensus and analysis should be maintained

  14. Combination of interval set and soft set

    Directory of Open Access Journals (Sweden)

    Keyun Qin

    2013-04-01

    Full Text Available Soft set theory and interval set theory are all mathematical tools for dealing with uncertainties. This paper is devoted to the discussion of soft interval set and its application. The notion of soft interval sets is introduced by combining soft set and interval set. Several operations on soft interval sets are presented in a manner parallel to that used in defining operations on soft sets and the lattice structures of soft interval sets are established. In addition, a soft interval set based decision making problem is analyzed.

  15. Spin-polarized spin excitation spectroscopy

    International Nuclear Information System (INIS)

    Loth, Sebastian; Lutz, Christopher P; Heinrich, Andreas J

    2010-01-01

    We report on the spin dependence of elastic and inelastic electron tunneling through transition metal atoms. Mn, Fe and Cu atoms were deposited onto a monolayer of Cu 2 N on Cu(100) and individually addressed with the probe tip of a scanning tunneling microscope. Electrons tunneling between the tip and the substrate exchange energy and spin angular momentum with the surface-bound magnetic atoms. The conservation of energy during the tunneling process results in a distinct onset threshold voltage above which the tunneling electrons create spin excitations in the Mn and Fe atoms. Here we show that the additional conservation of spin angular momentum leads to different cross-sections for spin excitations depending on the relative alignment of the surface spin and the spin of the tunneling electron. For this purpose, we developed a technique for measuring the same local spin with a spin-polarized and a non-spin-polarized tip by exchanging the last apex atom of the probe tip between different transition metal atoms. We derive a quantitative model describing the observed excitation cross-sections on the basis of an exchange scattering process.

  16. TreeBASIS Feature Descriptor and Its Hardware Implementation

    Directory of Open Access Journals (Sweden)

    Spencer Fowers

    2014-01-01

    Full Text Available This paper presents a novel feature descriptor called TreeBASIS that provides improvements in descriptor size, computation time, matching speed, and accuracy. This new descriptor uses a binary vocabulary tree that is computed using basis dictionary images and a test set of feature region images. To facilitate real-time implementation, a feature region image is binary quantized and the resulting quantized vector is passed into the BASIS vocabulary tree. A Hamming distance is then computed between the feature region image and the effectively descriptive basis dictionary image at a node to determine the branch taken and the path the feature region image takes is saved as a descriptor. The TreeBASIS feature descriptor is an excellent candidate for hardware implementation because of its reduced descriptor size and the fact that descriptors can be created and features matched without the use of floating point operations. The TreeBASIS descriptor is more computationally and space efficient than other descriptors such as BASIS, SIFT, and SURF. Moreover, it can be computed entirely in hardware without the support of a CPU for additional software-based computations. Experimental results and a hardware implementation show that the TreeBASIS descriptor compares well with other descriptors for frame-to-frame homography computation while requiring fewer hardware resources.

  17. Synthesis of chromium (V) complex on the basis of deuterated ethanediol for a polarized deuteron target

    Energy Technology Data Exchange (ETDEWEB)

    Bunyatova, E.I.; Bubnov, N.N. (Joint Inst. for Nuclear Research, Moscow (USSR). Lab. of Nuclear Problems)

    1984-01-15

    To develop a target with polarised deuterons the chromium (V) complex with deuterated ethanediol ligands was synthesized. The electron paramagnetic resonance (EPR) spectra were employed to determine the concentration and g-factor of the complex. The procedure to obtain the chromium (V) complex with partly deuterated ethanediol ligands is also discussed.

  18. Synthesis of chromium (V) complex on the basis of deuterated ethanediol for a polarized deuteron target

    Science.gov (United States)

    Bunyatova, E. I.; Bubnov, N. N.

    1984-01-01

    To develop a target with polarised deuterons the chromium (V) complex with deuterated ethanediol ligands was synthesized. The electron paramagnetic resonance (EPR) spectra were employed to determine the concentration and g-factor of the complex. The procedure to obtain the chromium (V) complex with partly deuterated ethanediol ligands is also discussed.

  19. Anodic Concentration Polarization in SOFCs

    Energy Technology Data Exchange (ETDEWEB)

    Williford, Rick E.; Chick, Lawrence A.; Maupin, Gary D.; Simner, Steve P.; Stevenson, Jeffry W.; Khaleel, Mohammad A.; Wachsman, ED, et al

    2003-08-01

    Concentration polarization is important because it determines the maximum power output of a solid oxide fuel cell (SOFC) at high fuel utilization. Anodic concentration polarization occurs when the demand for reactants exceeds the capacity of the porous ceramic anode to supply them by gas diffusion mechanisms. High tortuosities (bulk diffusion resistances) are often assumed to explain this behavior. However, recent experiments show that anodic concentration polarization originates in the immediate vicinity of the reactive triple phase boundary (TPB) sites near the anode/electrolyte interface. A model is proposed to describe how concentration polarization is controlled by two localized phenomena: competitive adsorption of reactants in areas adjacent to the reactive TPB sites, followed by relatively slow surface diffusion to the reactive sites. Results suggest that future SOFC design improvements should focus on optimization of the reactive area, adsorption, and surface diffusion at the anode/electrolyte interface.

  20. The definition of cross polarization

    DEFF Research Database (Denmark)

    Ludwig, Arthur

    1973-01-01

    There are at least three different definitions of cross polarization used in the literature. The alternative definitions are discussed with respect to several applications, and the definition which corresponds to one standard measurement practice is proposed as the best choice....

  1. Dynamic elections and ideological polarization

    Czech Academy of Sciences Publication Activity Database

    Nunnari, S.; Zápal, Jan

    2017-01-01

    Roč. 25, č. 4 (2017), s. 505-534 ISSN 1047-1987 Institutional support: Progres-Q24 Keywords : elections * political polarization Subject RIV: AH - Economics OBOR OECD: Economic Theory Impact factor: 3.361, year: 2016

  2. Dynamic elections and ideological polarization

    Czech Academy of Sciences Publication Activity Database

    Nunnari, S.; Zápal, Jan

    2017-01-01

    Roč. 25, č. 4 (2017), s. 505-534 ISSN 1047-1987 Institutional support: RVO:67985998 Keywords : elections * political polarization Subject RIV: AH - Economics OBOR OECD: Economic Theory Impact factor: 3.361, year: 2016

  3. Polarization at LEP. Vol. 2

    International Nuclear Information System (INIS)

    Alexander, G.; Altarelli, G.; Blondel, A.; Coignet, G.; Keil, E.; Plane, D.E.; Treille, D.

    1988-01-01

    This report contains a collection of papers covering the most important part of studies carried out by five study groups in view of a programme of experiments with polarized beams at LEP, the Large Electron-Positron collider under construction at CERN. The emphasis is on precision measurements at the Z peak. Such measurements are shown to be of considerable theoretical interest as well as very clean from the point of view of theoretical and experimental uncertainties. The measurement of the beam polarization can certainly be performed with sufficient accuracy, thanks to the availability of both e + and e - beam polarization. The normalization of the data taken with different beam helicities poses certain constraints that are described. Substantial progress has been made in understanding the possibility of providing longitudinally polarized beams in the LEP machine: The design of new wigglers and spin rotators, the study of correction procedures and results of numerical simulations are presented. (orig.)

  4. Mechanical writing of ferroelectric polarization.

    Science.gov (United States)

    Lu, H; Bark, C-W; Esque de los Ojos, D; Alcala, J; Eom, C B; Catalan, G; Gruverman, A

    2012-04-06

    Ferroelectric materials are characterized by a permanent electric dipole that can be reversed through the application of an external voltage, but a strong intrinsic coupling between polarization and deformation also causes all ferroelectrics to be piezoelectric, leading to applications in sensors and high-displacement actuators. A less explored property is flexoelectricity, the coupling between polarization and a strain gradient. We demonstrate that the stress gradient generated by the tip of an atomic force microscope can mechanically switch the polarization in the nanoscale volume of a ferroelectric film. Pure mechanical force can therefore be used as a dynamic tool for polarization control and may enable applications in which memory bits are written mechanically and read electrically.

  5. Mechanical Writing of Ferroelectric Polarization

    Science.gov (United States)

    Lu, H.; Bark, C.-W.; Esque de los Ojos, D.; Alcala, J.; Eom, C. B.; Catalan, G.; Gruverman, A.

    2012-04-01

    Ferroelectric materials are characterized by a permanent electric dipole that can be reversed through the application of an external voltage, but a strong intrinsic coupling between polarization and deformation also causes all ferroelectrics to be piezoelectric, leading to applications in sensors and high-displacement actuators. A less explored property is flexoelectricity, the coupling between polarization and a strain gradient. We demonstrate that the stress gradient generated by the tip of an atomic force microscope can mechanically switch the polarization in the nanoscale volume of a ferroelectric film. Pure mechanical force can therefore be used as a dynamic tool for polarization control and may enable applications in which memory bits are written mechanically and read electrically.

  6. How Polarization and Political Instability affect Learning through Experimentation

    NARCIS (Netherlands)

    I.V. Ossokina (Ioulia); O.H. Swank (Otto)

    2001-01-01

    textabstractIn a multiperiod setting, decision-makers can learn about the consequences of their decisions through experimentation. In this paper we examine how in a two-party system polarization and political instability affect learning through experimentation. We distinguish two cases: the

  7. Modeling optical and UV polarization of AGNs. IV. Polarization timing

    Science.gov (United States)

    Rojas Lobos, P. A.; Goosmann, R. W.; Marin, F.; Savić, D.

    2018-03-01

    Context. Optical observations cannot resolve the structure of active galactic nuclei (AGN), and a unified model for AGN was inferred mostly from indirect methods, such as spectroscopy and variability studies. Optical reverberation mapping allowed us to constrain the spatial dimension of the broad emission line region and thereby to measure the mass of supermassive black holes. Recently, reverberation was also applied to the polarized signal emerging from different AGN components. In principle, this should allow us to measure the spatial dimensions of the sub-parsec reprocessing media. Aim. We conduct numerical modeling of polarization reverberation and provide theoretical predictions for the polarization time lag induced by different AGN components. The model parameters are adjusted to the observational appearance of the Seyfert 1 galaxy NGC 4151. Methods: We modeled scattering-induced polarization and tested different geometries for the circumnuclear dust component. Our tests included the effects of clumpiness and different dust prescriptions. To further extend the model, we also explored the effects of additional ionized winds stretched along the polar direction, and of an equatorial scattering ring that is responsible for the polarization angle observed in pole-on AGN. The simulations were run using a time-dependent version of the STOKES code. Results: Our modeling confirms the previously found polarization characteristics as a function of the observer`s viewing angle. When the dust adopts a flared-disk geometry, the lags reveal a clear difference between type 1 and type 2 AGN. This distinction is less clear for a torus geometry where the time lag is more sensitive to the geometry and optical depth of the inner surface layers of the funnel. The presence of a scattering equatorial ring and ionized outflows increased the recorded polarization time lags, and the polar outflows smooths out dependence on viewing angle, especially for the higher optical depth of the

  8. OSR encapsulation basis -- 100-KW

    International Nuclear Information System (INIS)

    Meichle, R.H.

    1995-01-01

    The purpose of this report is to provide the basis for a change in the Operations Safety Requirement (OSR) encapsulated fuel storage requirements in the 105 KW fuel storage basin which will permit the handling and storing of encapsulated fuel in canisters which no longer have a water-free space in the top of the canister. The scope of this report is limited to providing the change from the perspective of the safety envelope (bases) of the Safety Analysis Report (SAR) and Operations Safety Requirements (OSR). It does not change the encapsulation process itself

  9. The physical basis of chemistry

    CERN Document Server

    Warren, Warren S

    2000-01-01

    If the text you're using for general chemistry seems to lack sufficient mathematics and physics in its presentation of classical mechanics, molecular structure, and statistics, this complementary science series title may be just what you're looking for. Written for the advanced lower-division undergraduate chemistry course, The Physical Basis of Chemistry, Second Edition, offers students an opportunity to understand and enrich the understanding of physical chemistry with some quantum mechanics, the Boltzmann distribution, and spectroscopy. Posed and answered are questions concerning eve

  10. Solid Polarized Targets and Applications

    International Nuclear Information System (INIS)

    Crabb, D. G.

    2008-01-01

    Examples are given of dynamically polarized targets in use today and how the subsystems have changed to meet the needs of todays experiments. Particular emphasis is placed on target materials such as ammonia and lithium deuteride. Recent polarization studies of irradiated materials such as butanol, deuterated butanol, polyethylene, and deuterated polyethylene are presented. The operation of two non-DNP target systems as well as applications of traditional DNP targets are briefly discussed

  11. Artificial anisotropy and polarizing filters.

    Science.gov (United States)

    Flory, François; Escoubas, Ludovic; Lazaridès, Basile

    2002-06-01

    The calculated spectral transmittance of a multilayer laser mirror is used to determine the effective index of the single layer equivalent to the multilayer stack. We measure the artificial anisotropy of photoresist thin films whose structure is a one-dimensional, subwavelength grating obtained from interference fringes. The limitation of the theory of the first-order effective index homogenization is discussed. We designed normal-incidence, polarizing coating and a polarization rotator by embedding anisotropic films in simple multilayer structures.

  12. Polarization bremsstrahlung in α decay

    International Nuclear Information System (INIS)

    Amusia, M. Ya.; Zon, B. A.; Kretinin, I. Yu.

    2007-01-01

    A mechanism of formation of electromagnetic radiation that accompanies α decay and is associated with the emission of photons by electrons of atomic shells due to the scattering of α particles by these atoms (polarization bremsstrahlung) is proposed. It is shown that, when the photon energy is no higher than the energy of K electrons of an atom, polarization bremsstrahlung makes a significant contribution to the bremsstrahlung in α decay

  13. 26 CFR 1.334-1 - Basis of property received in liquidations.

    Science.gov (United States)

    2010-04-01

    ... 26 Internal Revenue 4 2010-04-01 2010-04-01 false Basis of property received in liquidations. 1...) INCOME TAX (CONTINUED) INCOME TAXES Corporate Liquidations § 1.334-1 Basis of property received in liquidations. (a) In general. Section 334 sets forth rules prescribing the basis of property received in a...

  14. Polar clouds and radiation in satellite observations, reanalyses, and climate models

    NARCIS (Netherlands)

    Lenaerts, JTM; Van Tricht, Kristof; Lhermitte, S.L.M.; L'Ecuyer, T.S.

    2017-01-01

    Clouds play a pivotal role in the surface energy budget of the polar regions. Here we use two largely independent data sets of cloud and surface downwelling radiation observations derived by satellite remote sensing (2007–2010) to evaluate simulated clouds and radiation over both polar ice sheets

  15. Polarity Checks in Sectors 23 & 78

    CERN Document Server

    Calaga, R; Lamont, M; Ponce, L; Sun, Y; Tomás, R; Venturini-Delsolaro, W; Zimmermann, F

    2009-01-01

    During the first three LHC synchronization tests on August 10, August 24, and September 7, 2008, linear and higher-order polarity checks were performed with beam 1 in Sector 23 and beam 2 in Sector 78. The main principle of these checks was to launch free betatron oscillations and use the difference trajectory measurements with respect to inverted polarities of circuits under investigation. In the case of zero nominal strength for a circuit, a finite value was introduced. The magnet circuits subjected to these tests were the QT and QTL trim quadrupoles, the MQS skew quadrupoles, the SF and SD arc sextupole circuits, the MCS b3 spool pieces, the OD and OF Landau octupoles, and the MSS skew sextupoles. For some of these circuits sensitivity was enhanced by introducing large momentum offsets. To detect and remove improve spurious contributions from initially off-center orbits, four sets of trajectories were recorded, namely with and without oscillation, and with two magnet strength settings, respectively. We rep...

  16. Electromagnetic cloaking devices for TE and TM polarizations

    International Nuclear Information System (INIS)

    Bilotti, Filiberto; Tricarico, Simone; Vegni, Lucio

    2008-01-01

    In this paper, we present the design of an electromagnetic cloaking device working for both transverse electric (TE) and transverse magnetic (TM) polarizations. The theoretical approach to cloaking used here is inspired by the one presented by Alu and Engheta (2005 Phys. Rev. E 72 016623) for TM polarization. The case of TE polarization is firstly considered and, then, an actual inclusion-based cloak for TE polarization is also designed. In such a case, the cloak is made of a mu-near-zero (MNZ) metamaterial, as the dual counterpart of the epsilon-near-zero (ENZ) material that can be used for purely dielectric objects. The operation and the robustness of the cloaking device for the TE polarization is deeply investigated through a complete set of full-wave numerical simulations. Finally, the design and an application of a cloak operating for both TE and TM polarizations employing both magnetic inclusions and the parallel plate medium already used by Silveirinha et al (Phys. Rev. E 75 036603) are presented.

  17. The polar cliff in the morning sector of the ionosphere

    Directory of Open Access Journals (Sweden)

    G. W. Prölss

    2013-05-01

    Full Text Available By "polar cliff" we mean the steep increase in the ionization density observed in the morning sector of the polar ionosphere. Here the properties of this remarkable feature are investigated. The data set consists of electron density and temperature measurements obtained by the Dynamics Explorer 2 satellite. Only data recorded in the Northern Hemisphere winter are considered (solar zenith angle ≥ 90°. We find that for moderately disturbed conditions, the foot of the polar cliff is located below 60° invariant latitude. Here, within about 4°, the density increases by a factor of 4, on average. The actual location of the polar cliff depends primarily on the level of geomagnetic activity, its associated density increase on geographic longitude and altitude. As to the longitudinal variations, they are attributed to asymmetries in the background ionization density at middle latitudes. Using a superposed epoch type of averaging procedure, mean latitudinal profiles of the polar cliff and the associated electron temperature changes are derived. Since these differ significantly from those derived for the afternoon/evening sector, we conclude that the subauroral ionospheric trough does not extend into the morning sector. As to the origin of the polar cliff in the morning sector, local auroral particle precipitation should play only a secondary role.

  18. Sensitive cooperation: a basis for assisted feeding

    DEFF Research Database (Denmark)

    Martinsen, Bente; Harder, Ingegerd; Biering-Sørensen, Fin

    2009-01-01

    the temporality of the helper as a necessary condition. A particular meal draws on the experiences from all previous meals and is a significant forerunner of future meals. RELEVANCE TO CLINICAL PRACTICE: Nurses and other health care professionals working within settings where people with hcSCI are admitted right...... needing assisted feeding, but has the temporality of the helper as a necessary condition. A particular meal draws on the experiences from all previous meals and is a significant forerunner of future meals. CONCLUSIONS: Sensitive cooperation implies genuine acquaintance and sincere concern for the person...... after the injury have a responsibility to be meticulous when cooperating with the patients during assisted feeding. They create the basis for later cooperation with the personal assistants. Professionals working in institutions must assume that people with hcSCI are vulnerable and that assisted feeding...

  19. Polarization of Coronal Forbidden Lines

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hao; Qu, Zhongquan [Yunnan Observatories, Chinese Academy of Sciences, Kunming, Yunnan 650011 (China); Landi Degl’Innocenti, Egidio, E-mail: sayahoro@ynao.ac.cn [Dipartimento di Astronomia e Scienza dello Spazio, Università di Firenze, Largo E. Fermi 2, I-50125 Firenze (Italy)

    2017-03-20

    Since the magnetic field is responsible for most manifestations of solar activity, one of the most challenging problems in solar physics is the diagnostics of solar magnetic fields, particularly in the outer atmosphere. To this end, it is important to develop rigorous diagnostic tools to interpret polarimetric observations in suitable spectral lines. This paper is devoted to analyzing the diagnostic content of linear polarization imaging observations in coronal forbidden lines. Although this technique is restricted to off-limb observations, it represents a significant tool to diagnose the magnetic field structure in the solar corona, where the magnetic field is intrinsically weak and still poorly known. We adopt the quantum theory of polarized line formation developed in the framework of the density matrix formalism, and synthesize images of the emergent linear polarization signal in coronal forbidden lines using potential-field source-surface magnetic field models. The influence of electronic collisions, active regions, and Thomson scattering on the linear polarization of coronal forbidden lines is also examined. It is found that active regions and Thomson scattering are capable of conspicuously influencing the orientation of the linear polarization. These effects have to be carefully taken into account to increase the accuracy of the field diagnostics. We also found that linear polarization observation in suitable lines can give valuable information on the long-term evolution of the magnetic field in the solar corona.

  20. Polarization in free electron lasers

    Energy Technology Data Exchange (ETDEWEB)

    Papadichev, V.A. [Lebedev Physical Institute, Moscow (Russian Federation)

    1995-12-31

    Polarization of electromagnetic radiation is required very often in numerous scientific and industrial applications: studying of crystals, molecules and intermolecular interaction high-temperature superconductivity, semiconductors and their transitions, polymers and liquid crystals. Using polarized radiation allows to obtain important data (otherwise inaccessible) in astrophysics, meteorology and oceanology. It is promising in chemistry and biology for selective influence on definite parts of molecules in chain synthesis reactions, precise control of various processes at cell and subcell levels, genetic engineering etc. Though polarization methods are well elaborated in optics, they can fail in far-infrared, vacuum-ultraviolet and X-ray regions because of lack of suitable non-absorbing materials and damaging of optical elements at high specific power levels. Therefore, it is of some interest to analyse polarization of untreated FEL radiation obtained with various types of undulators, with and without axial magnetic field. The polarization is studied using solutions for electron orbits in various cases: plane or helical undulator with or without axial magnetic field, two plane undulators, a combination of right- and left-handed helical undulators with equal periods, but different field amplitudes. Some examples of how a desired polarization (elliptical circular or linear) can be obtained or changed quickly, which is necessary in many experiments, are given.

  1. Polar bears: the fate of an icon.

    Science.gov (United States)

    Fitzgerald, Kevin T

    2013-11-01

    the bears are so vulnerable to the effects of climate change. Polar bears have few alternatives if their habitat (the sea ice) and their access to their ringed seal prey rapidly disappear. Predictions that polar bears may be able to adjust and sustain themselves on alternative food sources are not based on reality. Spring breakup of the sea ice is happening much earlier as well as fall freezeup is getting later, thereby prolonging the open water period that the bears are shore bound. If trends continue and the ice continues to disappear, the effect on polar bears would be devastating. Veterinarians must stay involved in polar bear studies and in multidisciplinary conservation studies dealing with threatened and endangered species worldwide. On account of their training, veterinarians can offer a unique skill set that can provide access to a number of technologies critical to conservation efforts. The oath veterinarians take on graduation from veterinary school charges them to be sworn to the "conservation of animal resources" and in the education of the public. We are only as good as the oaths we keep. © 2013 Published by Elsevier Inc.

  2. Quadratic Hedging of Basis Risk

    Directory of Open Access Journals (Sweden)

    Hardy Hulley

    2015-02-01

    Full Text Available This paper examines a simple basis risk model based on correlated geometric Brownian motions. We apply quadratic criteria to minimize basis risk and hedge in an optimal manner. Initially, we derive the Föllmer–Schweizer decomposition for a European claim. This allows pricing and hedging under the minimal martingale measure, corresponding to the local risk-minimizing strategy. Furthermore, since the mean-variance tradeoff process is deterministic in our setup, the minimal martingale- and variance-optimal martingale measures coincide. Consequently, the mean-variance optimal strategy is easily constructed. Simple pricing and hedging formulae for put and call options are derived in terms of the Black–Scholes formula. Due to market incompleteness, these formulae depend on the drift parameters of the processes. By making a further equilibrium assumption, we derive an approximate hedging formula, which does not require knowledge of these parameters. The hedging strategies are tested using Monte Carlo experiments, and are compared with results achieved using a utility maximization approach.

  3. Polarization-induced noise in resonator fiber optic gyro.

    Science.gov (United States)

    Ma, Huilian; Chen, Zhen; Yang, Zhihuai; Yu, Xuhui; Jin, Zhonghe

    2012-10-01

    An optical fiber ring resonator (OFRR) is the key rotation-sensing element in the resonator fiber optic gyro (R-FOG). In comparing between different OFRR types, a simulation model that can apply to all cases is set up. Both the polarization crosstalk and polarization-dependent loss in the coupler are fully investigated for the first time to our knowledge. Three different splicing schemes, including a single 0°, a single 90°, and twin 90° polarization axis rotated spices, are compared. Two general configurations of the OFRR are considered. One is a reflector OFRR, the other is a transmitter OFRR. This leads to six different OFRR types. The output stability of the R-FOG with six OFRR types is fully investigated theoretically and experimentally. Additional Kerr noise due to the polarization fluctuation is discovered. The OFRR with twin 90° polarization axis rotated splices is of lower additional Kerr noise and hence has better temperature stability. As the coupler is polarization dependent, we notice that in a reflector OFRR, the straight-through component of the output lightwave, which can be isolated by a transmitter configuration, would produce large polarization fluctuation-induced noise. The experimental results show that the bias stability of the transmitter OFRR is 8 times improved over that of the reflector OFRR, which is in accord with the theoretical analysis. By the analysis and experiments above, it is reasonable to make a conclusion that an R-FOG based on a transmitter OFRR with twin 90° polarization axis rotated splices is of better temperature stability and smaller additional Kerr effect noise.

  4. Marine diatoms in polar and sub-polar environments and their application to Late Pleistocene paleoclimate reconstruction

    Energy Technology Data Exchange (ETDEWEB)

    Crosta, Xavier, E-mail: x.crosta@epoc.u-bordeaux1.fr [UMR-CNRS 5805 EPOC, Universite Bordeaux 1, Avenue des Facultes, 33405 Talence Cedex (France)

    2011-05-15

    Diatoms are one of the major phytoplankton groups in polar and sub-polar marine environments along with green algae and chrysophytes. Diatoms are composed of two components, a two-valve test made of amorphous silica and an organic cell encapsulated into the test. Mucilage covering the test and proteins embedded in the silica lattice of the test completes the organic pool of the diatoms. The preservation of these two components into deep-sea sediments allows for a large set of diatom-based proxies to infer past oceanographic and climatic changes in polar and sub-polar marine environments. Most diatom species in polar and sub-polar marine environments exhibit a narrow range of ecological preferences, especially in terms of sea-surface temperature and sea ice conditions. Preserved diatom assemblages in deep-sea sediments mirror the diatom assemblages in the phytoplankton. It is subsequently possible to extrapolate the relationships between diatom assemblages in surface sediments and modern parameters to down-core fossil assemblages to document past changes in sea-surface temperatures and sea ice conditions. Congruent analysis of biogenic silica and organic carbon and stable isotope ratios (O, Si in the silica matrix and C, N in the diatom-intrinsic organic matter) provides information on siliceous productivity, nutrient cycling and water mass circulation. Measurements of diatom biomarkers give complementary information on sea ice conditions and siliceous productivity.

  5. Marine diatoms in polar and sub-polar environments and their application to Late Pleistocene paleoclimate reconstruction

    International Nuclear Information System (INIS)

    Crosta, Xavier

    2011-01-01

    Diatoms are one of the major phytoplankton groups in polar and sub-polar marine environments along with green algae and chrysophytes. Diatoms are composed of two components, a two-valve test made of amorphous silica and an organic cell encapsulated into the test. Mucilage covering the test and proteins embedded in the silica lattice of the test completes the organic pool of the diatoms. The preservation of these two components into deep-sea sediments allows for a large set of diatom-based proxies to infer past oceanographic and climatic changes in polar and sub-polar marine environments. Most diatom species in polar and sub-polar marine environments exhibit a narrow range of ecological preferences, especially in terms of sea-surface temperature and sea ice conditions. Preserved diatom assemblages in deep-sea sediments mirror the diatom assemblages in the phytoplankton. It is subsequently possible to extrapolate the relationships between diatom assemblages in surface sediments and modern parameters to down-core fossil assemblages to document past changes in sea-surface temperatures and sea ice conditions. Congruent analysis of biogenic silica and organic carbon and stable isotope ratios (O, Si in the silica matrix and C, N in the diatom-intrinsic organic matter) provides information on siliceous productivity, nutrient cycling and water mass circulation. Measurements of diatom biomarkers give complementary information on sea ice conditions and siliceous productivity.

  6. Basis reduction for layered lattices

    NARCIS (Netherlands)

    Torreão Dassen, Erwin

    2011-01-01

    We develop the theory of layered Euclidean spaces and layered lattices. We present algorithms to compute both Gram-Schmidt and reduced bases in this generalized setting. A layered lattice can be seen as lattices where certain directions have infinite weight. It can also be

  7. Superconducting polarizing magnet for a movable polarized target

    International Nuclear Information System (INIS)

    Anishchenko, N.G.; Bartenev, V.D.; Blinov, N.A.

    1998-01-01

    The superconducting polarizing magnet was constructed for the JINR (Dubna) movable polarized target (MPT) with working volume 200 mm long and 30 mm in diameter. The magnet provides a polarizing magnetic field up to 6 T in the centre with the uniformity of 4.5 x 10 -4 in the working volume of the target. The magnet contains a main solenoidal winding 558 mm long and 206/144 mm in diameters, and compensating and correcting winding placed at its ends. The windings are made of a NbTi wire, impregnated with the epoxy resin and placed in the horizontal cryostat. The diameter of the 'warm' aperture of the magnet cryostat is 96 mm. The design and technology of the magnet winding are described. Results of the magnetic field map measurements, using a NMR-magnetometer are given. A similar magnet constructed at DAPNIA, CEA/Saclay (France), represented a model for the present development. The MPT array is installed in the beam line of polarized neutrons produced by break-up of polarized deuterons extracted from the synchrophasotron of the Laboratory of High Energies (LHE), JINR (Dubna)

  8. ROAM: a Radial-basis-function Optimization Approximation Method for diagnosing the three-dimensional coronal magnetic field

    Directory of Open Access Journals (Sweden)

    Kevin Dalmasse

    2016-07-01

    Full Text Available The Coronal Multichannel Polarimeter (CoMP routinely performs coronal polarimetric measurements using the Fe XIII 10747 $AA$ and 10798 $AA$ lines, which are sensitive to the coronal magnetic field. However, inverting such polarimetric measurements into magnetic field data is a difficult task because the corona is optically thin at these wavelengths and the observed signal is therefore the integrated emission of all the plasma along the line of sight. To overcome this difficulty, we take on a new approach that combines a parameterized 3D magnetic field model with forward modeling of the polarization signal. For that purpose, we develop a new, fast and efficient, optimization method for model-data fitting: the Radial-basis-functions Optimization Approximation Method (ROAM. Model-data fitting is achieved by optimizing a user-specified log-likelihood function that quantifies the differences between the observed polarization signal and its synthetic/predicted analogue. Speed and efficiency are obtained by combining sparse evaluation of the magnetic model with radial-basis-function (RBF decomposition of the log-likelihood function. The RBF decomposition provides an analytical expression for the log-likelihood function that is used to inexpensively estimate the set of parameter values optimizing it. We test and validate ROAM on a synthetic test bed of a coronal magnetic flux rope and show that it performs well with a significantly sparse sample of the parameter space. We conclude that our optimization method is well-suited for fast and efficient model-data fitting and can be exploited for converting coronal polarimetric measurements, such as the ones provided by CoMP, into coronal magnetic field data.

  9. Direct visualization of polarization reversal of organic ferroelectric memory transistor by using charge modulated reflectance imaging

    Science.gov (United States)

    Otsuka, Takako; Taguchi, Dai; Manaka, Takaaki; Iwamoto, Mitsumasa

    2017-11-01

    By using the charge modulated reflectance (CMR) imaging technique, charge distribution in the pentacene organic field-effect transistor (OFET) with a ferroelectric gate insulator [P(VDF-TrFE)] was investigated in terms of polarization reversal of the P(VDF-TrFE) layer. We studied the polarization reversal process and the carrier spreading process in the OFET channel. The I-V measurement showed a hysteresis behavior caused by the spontaneous polarization of P(VDF-TrFE), but the hysteresis I-V curve changes depending on the applied drain bias, possibly due to the gradual shift of the polarization reversal position in the OFET channel. CMR imaging visualized the gradual shift of the polarization reversal position and showed that the electrostatic field formed by the polarization of P(VDF-TrFE) contributes to hole and electron injection into the pentacene layer and the carrier distribution is significantly dependent on the direction of the polarization. The polarization reversal position in the channel region is governed by the electrostatic potential, and it happens where the potential reaches the coercive voltage of P(VDF-TrFE). The transmission line model developed on the basis of the Maxwell-Wagner effect element analysis well accounts for this polarization reversal process in the OFET channel.

  10. Effect of dust particle polarization on scattering processes in complex plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Kodanova, S. K.; Ramazanov, T. S.; Bastykova, N. Kh.; Moldabekov, Zh. A. [Institute for Experimental and Theoretical Physics, Al-Farabi Kazakh National University, 71 Al-Farabi Str., 050040 Almaty (Kazakhstan)

    2015-06-15

    Screened interaction potentials in dusty plasmas taking into account the polarization of dust particles have been obtained. On the basis of screened potentials scattering processes for ion-dust particle and dust particle-dust particle pairs have been studied. In particular, the scattering cross section is considered. The scattering processes for which the dust grain polarization is unimportant have been found. The effect of zero angle dust particle-dust particle scattering is predicted.

  11. Status report of the Darmstadt polarized electron source at the S-DALINAC

    Energy Technology Data Exchange (ETDEWEB)

    Poltoratska, Yuliya; Barday, Roman; Bonnes, Uwe; Brunken, Marco; Eichhorn, Ralf; Eckardt, Christian; Enders, Joachim; Ingenhaag, Christoph; Goeoek, Alf; Platz, Markus; Roth, Markus; Wagner, Markus [Institut fuer Kernphysik, Technische Universitaet, Darmstadt (Germany); Mueller, Wolfgang F.O.; Weiland, Thomas [Institut fuer Theorie Elektromagnetischer Felder, Technische Universitaet, Darmstadt (Germany)

    2009-07-01

    The injection section of the superconducting Darmstadt electron linear accelerator S-DALINAC will soon be extended with a source of polarized electrons SPIN. The set-up consists of a 100 keV GaAs polarized gun and associated beamline including a Chopper-Prebuncher system to affect the time structure of the emitted beam, a laser system to produce polarized light with the required wavelength and an assembly for polarisation manipulation and measurement. We report on the status of the entire construction and review recent results on operation parameters. An outlook on the upcoming installation of the polarized electron source at the S-DALINAC is given.

  12. 10 CFR 830.202 - Safety basis.

    Science.gov (United States)

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Safety basis. 830.202 Section 830.202 Energy DEPARTMENT OF ENERGY NUCLEAR SAFETY MANAGEMENT Safety Basis Requirements § 830.202 Safety basis. (a) The contractor responsible for a hazard category 1, 2, or 3 DOE nuclear facility must establish and maintain the safety basis...

  13. Polarization fluctuations in stationary light beams

    International Nuclear Information System (INIS)

    Shevchenko, A.; Setaelae, T.; Kaivola, M.; Friberg, A.T.; Royal Institute of Technology , Department of Microelectronics and Applied Physics; Sweden)

    2009-01-01

    For stationary beams the degree of polarization contains only limited information on time dependent polarization. Two approaches towards assessing a beams polarization dynamics, one based on Poincare and the other on Jones vector formalism, are described leading to the notion of polarization time. Specific examples of partially temporally coherent electromagnetic beams are discussed. (Author)

  14. FIRST POLARIZED PROTON COLLISIONS AT RHIC

    International Nuclear Information System (INIS)

    ROSER, T.; AHRENS, L.; ALESSI, J.; BAI, M.; BEEBE-WANG, J.; BRENNAN, J.M.; BROWN, K.A.; BUNCE, G.; CAMERON, P.; COURANT, E.D.; DREES, A.; FISCHER, W.; FLILLER, R. III; GLENN, W.; HUANG, H.; LUCCIO, A.U.; MACKAY, W.W.; MAKDISI, Y.; MONTAG, C.; PILAT, F.; PTITSYN, V.; SATOGATA, T.

    2002-01-01

    We successfully injected polarized protons in both RHIC rings and maintained polarization during acceleration up to 100 GeV per ring using two Siberian snakes in each ring. Each snake consists of four helical superconducting dipoles which rotate the polarization by 180 o about a horizontal axis. This is the first time that polarized protons have been accelerated to 100 GeV

  15. Apico-basal polarity complex and cancer

    Indian Academy of Sciences (India)

    Apico-basal polarity is a cardinal molecular feature of adult eukaryotic epithelial cells and appears to be involved in several key cellular processes including polarized cell migration and maintenance of tissue architecture. Epithelial cell polarity is maintained by three well-conserved polarity complexes, namely, PAR, Crumbs ...

  16. The basis function approach for modeling autocorrelation in ecological data.

    Science.gov (United States)

    Hefley, Trevor J; Broms, Kristin M; Brost, Brian M; Buderman, Frances E; Kay, Shannon L; Scharf, Henry R; Tipton, John R; Williams, Perry J; Hooten, Mevin B

    2017-03-01

    Analyzing ecological data often requires modeling the autocorrelation created by spatial and temporal processes. Many seemingly disparate statistical methods used to account for autocorrelation can be expressed as regression models that include basis functions. Basis functions also enable ecologists to modify a wide range of existing ecological models in order to account for autocorrelation, which can improve inference and predictive accuracy. Furthermore, understanding the properties of basis functions is essential for evaluating the fit of spatial or time-series models, detecting a hidden form of collinearity, and analyzing large data sets. We present important concepts and properties related to basis functions and illustrate several tools and techniques ecologists can use when modeling autocorrelation in ecological data. © 2016 by the Ecological Society of America.

  17. 12 CFR 308.500 - Basis, purpose, and scope.

    Science.gov (United States)

    2010-01-01

    ... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Basis, purpose, and scope. 308.500 Section 308.500 Banks and Banking FEDERAL DEPOSIT INSURANCE CORPORATION PROCEDURE AND RULES OF PRACTICE RULES OF... connection with programs (other than as set forth in the preceding sentence) related to the FDIC's regulatory...

  18. Internal dosimetry technical basis manual

    Energy Technology Data Exchange (ETDEWEB)

    1990-12-20

    The internal dosimetry program at the Savannah River Site (SRS) consists of radiation protection programs and activities used to detect and evaluate intakes of radioactive material by radiation workers. Examples of such programs are: air monitoring; surface contamination monitoring; personal contamination surveys; radiobioassay; and dose assessment. The objectives of the internal dosimetry program are to demonstrate that the workplace is under control and that workers are not being exposed to radioactive material, and to detect and assess inadvertent intakes in the workplace. The Savannah River Site Internal Dosimetry Technical Basis Manual (TBM) is intended to provide a technical and philosophical discussion of the radiobioassay and dose assessment aspects of the internal dosimetry program. Detailed information on air, surface, and personal contamination surveillance programs is not given in this manual except for how these programs interface with routine and special bioassay programs.

  19. Internal dosimetry technical basis manual

    International Nuclear Information System (INIS)

    1990-01-01

    The internal dosimetry program at the Savannah River Site (SRS) consists of radiation protection programs and activities used to detect and evaluate intakes of radioactive material by radiation workers. Examples of such programs are: air monitoring; surface contamination monitoring; personal contamination surveys; radiobioassay; and dose assessment. The objectives of the internal dosimetry program are to demonstrate that the workplace is under control and that workers are not being exposed to radioactive material, and to detect and assess inadvertent intakes in the workplace. The Savannah River Site Internal Dosimetry Technical Basis Manual (TBM) is intended to provide a technical and philosophical discussion of the radiobioassay and dose assessment aspects of the internal dosimetry program. Detailed information on air, surface, and personal contamination surveillance programs is not given in this manual except for how these programs interface with routine and special bioassay programs

  20. FLAMMABLE GAS TECHNICAL BASIS DOCUMENT

    Energy Technology Data Exchange (ETDEWEB)

    KRIPPS, L.J.

    2005-02-18

    This document describes the qualitative evaluation of frequency and consequences for double shell tank (DST) and single shell tank (SST) representative flammable gas accidents and associated hazardous conditions without controls. The evaluation indicated that safety-significant SSCs and/or TSRS were required to prevent or mitigate flammable gas accidents. Discussion on the resulting control decisions is included. This technical basis document was developed to support of the Tank Farms Documented Safety Analysis (DSA) and describes the risk binning process for the flammable gas representative accidents and associated represented hazardous conditions. The purpose of the risk binning process is to determine the need for safety-significant structures, systems, and components (SSC) and technical safety requirement (TSR)-level controls for a given representative accident or represented hazardous condition based on an evaluation of the event frequency and consequence.

  1. FLAMMABLE GAS TECHNICAL BASIS DOCUMENT

    Energy Technology Data Exchange (ETDEWEB)

    KRIPPS, L.J.

    2005-03-03

    This document describes the qualitative evaluation of frequency and consequences for DST and SST representative flammable gas accidents and associated hazardous conditions without controls. The evaluation indicated that safety-significant structures, systems and components (SSCs) and/or technical safety requirements (TSRs) were required to prevent or mitigate flammable gas accidents. Discussion on the resulting control decisions is included. This technical basis document was developed to support WP-13033, Tank Farms Documented Safety Analysis (DSA), and describes the risk binning process for the flammable gas representative accidents and associated represented hazardous conditions. The purpose of the risk binning process is to determine the need for safety-significant structures, systems, and components (SSC) and technical safety requirement (TSR)-level controls for a given representative accident or represented hazardous condition based on an evaluation of the event frequency and consequence.

  2. [Neurobiological basis of depressive disorders].

    Science.gov (United States)

    Stoppel, C; Bielau, H; Bogerts, B; Northoff, G

    2006-12-01

    Depressive disorders belong to the most frequent diseases worldwide showing a lifetime prevalence of up to 20%. Moreover they are one of the leading causes for the amount of years lived with disability. Increasing knowledge about the pathological mechanisms underlying depressive syndromes is obtained by using modern neurobiological research-techniques. Thereby some older theories that have been the basis of emotion-research for decades--like the monoamine hypothesis--have been strengthened. In addition new aspects of the pathological processes underlying depressive disturbances have been unraveled. In this review established models and recent findings will be discussed, to bridge various research-fields, ranging from genetics, epigenetics and morphological changes to the functional consequences of depression. Finally therapeutic implications that could be derived from these results will be presented, showing up putative possibilities for diagnosis and treatment of depressive syndromes.

  3. Inclusive quasielastic scattering of polarized electrons from polarized nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Amaro, J.E. [Massachusetts Inst. of Tech., Cambridge, MA (United States). Center for Theoretical Physics]|[Universidad de Granada (Spain). Dept. de Fisica Moderna]|[Massachusetts Inst. of Tech., Cambridge, MA (United States). Lab. for Nuclear Science]|[Massachusetts Inst. of Tech., Cambridge, MA (United States). Dept. of Physics; Caballero, J.A. [Consejo Superior de Investigaciones Cientificas (CSIC), Madrid (Spain). Inst. de Estructura de la Materia]|[Sevilla Univ. (Spain). Dept. de Fisica Atomica, Molecular y Nuclear; Donnelly, T.W. [Massachusetts Inst. of Tech., Cambridge, MA (United States). Center for Theoretical Physics]|[Massachusetts Inst. of Tech., Cambridge, MA (United States). Lab. for Nuclear Science]|[Massachusetts Inst. of Tech., Cambridge, MA (United States). Dept. of Physics; Moya de Guerra, E. [Consejo Superior de Investigaciones Cientificas (CSIC), Madrid (Spain). Inst. de Estructura de la Materia

    1996-12-23

    The inclusive quasielastic response functions that appear in the scattering of polarized electrons from polarized nuclei are computed and analyzed for several closed-shell-minus-one nuclei with special attention paid to {sup 39}K. Results are presented using two models for the ejected nucleon - when described by a distorted wave in the continuum shell model or by a plane wave in PWIA with on- and off-shell nucleons. Relativistic effects in kinematics and in the electromagnetic current have been incorporated throughout. Specifically, the recently obtained expansion of the electromagnetic current in powers only of the struck nucleon`s momentum is employed for the on-shell current and the effects of the first-order terms (spin-orbit and convection) are compared with the zeroth-order (charge and magnetization) contributions. The use of polarized inclusive quasielastic electron scattering as a tool for determining near-valence nucleon momentum distributions is discussed. (orig.).

  4. System for measuring of proton polarization in polarized target

    International Nuclear Information System (INIS)

    Derkach, A.Ya.; Lukhanin, A.A.; Karnaukhov, I.M.; Kuz'menko, V.S.; Telegin, Yu.N.; Trotsenko, V.I.; Chechetenko, V.F.

    1981-01-01

    Measurement system of proton polarization in the target, which uses the method of nuclear magnetic resonance is described. To record the signal of NMR-absorption a parallel Q-meter of voltage with analogous subtraction of resonance characteristics of measurement circuit is used. To obtain gradual sensitivity of the system to polarization state in the whole volume of the target the measurement coils is made of tape conductor. The analysis and mathematical modelling of Q-meter are carried out. Corrections for nonlinearity and dispersion are calculated. Key diagrams of the main electron blocks of Q-meter are presented. The system described operates on line with the M6000 computer. Total error of measurement of polarization value of free protons in the target does not exceed 6% [ru

  5. System of measurement of proton polarization in a polarized target

    Energy Technology Data Exchange (ETDEWEB)

    Karnaukov, I.M.; Chechetenko, V.F.; Lukhanin, A.A.; Telegin, Y.N.; Trotsenko, V.I.

    1985-05-01

    This paper describes a nuclear magnetic resonance spectrometer with high sensitivity. The signal of NMR absorption is recorded by a Q-meter with a series circuit and a circuit for compensation of the resonance characteristic of the measuring circuit. In order to ensure uniform sensitivity of the system to the state of polarization throughout the volume of the target and to enhance the S/N ration the measuring coil is made of a flat conductor. The polarization-measuring system works on-line with an M-6000 computer. The total error of measurement of the polarization of free protons in a target with allowance for the error due to local depolarization of free protons in a target with allowance for the error due to local depolarization of the working substance under irradiation with an intense photon beam is less than or equal to 6%.

  6. Norwegian North Polar Expedition 1893-1896: Oceanographic Data, Version 1

    Data.gov (United States)

    National Aeronautics and Space Administration — This data set contains water depth, temperature, specific gravity, salinity, and density measurements from the North Polar Basin and the Barents Sea, gathered by...

  7. Baltic Sea Experiment (BALTEX) Ground-Based Radar Polar Volume Data, Version 1

    Data.gov (United States)

    National Aeronautics and Space Administration — This data set includes non-Doppler polar volume reflectivity data from the Baltic Sea Experiment (BALTEX). Data were collected on Sweden's Gotland Island, using an...

  8. TOVS Pathfinder Path-P Daily and Monthly Polar Gridded Atmospheric Parameters, Version 1

    Data.gov (United States)

    National Aeronautics and Space Administration — The TIROS-N Operational Vertical Sounder (TOVS) Polar Pathfinder (Path-P) data set consists of gridded daily and monthly Arctic and Antarctic atmospheric data...

  9. TOVS Pathfinder Path-P Daily and Monthly Polar Gridded Atmospheric Parameters

    Data.gov (United States)

    National Aeronautics and Space Administration — The TIROS-N Operational Vertical Sounder (TOVS) Polar Pathfinder (Path-P) data set consists of gridded daily and monthly Arctic and Antarctic atmospheric data...

  10. Baltic Sea Experiment (BALTEX) Ground-Based Radar Polar Volume Data

    Data.gov (United States)

    National Aeronautics and Space Administration — This data set includes non-Doppler polar volume reflectivity data from the Baltic Sea Experiment (BALTEX). Data were collected on Sweden's Gotland Island, using an...

  11. LRO MOON MINI-RF 5 POLAR MOSAIC CALIBRATED DATA REC V1.0

    Data.gov (United States)

    National Aeronautics and Space Administration — This data set contains lunar polar mosaics composed of calibrated data acquired from the Mini-RF instrument during the LRO mission. The mosaics are made from data...

  12. Microstructural Location and Composition of Impurities in Polar Ice Cores, Version 1

    Data.gov (United States)

    National Aeronautics and Space Administration — This data set contains measurements of impurities and ions in three polar ice cores: the Vostok 5G ice core and the Byrd ice core from Antarctica, and the Greenland...

  13. Aquarius L3 Polar-Gridded Weekly Normalized Radar Cross Section V005

    Data.gov (United States)

    National Aeronautics and Space Administration — The data set consists of weekly polar-gridded Level-3 products of Aquarius L-band Normalized Radar Cross Section (NRCS) retrievals from the Aquarius/Satélite de...

  14. Assigning Polarity to Causal Information in Financial Articles on Business Performance of Companies

    Science.gov (United States)

    Sakai, Hiroyuki; Masuyama, Shigeru

    We propose a method of assigning polarity to causal information extracted from Japanese financial articles concerning business performance of companies. Our method assigns polarity (positive or negative) to causal information in accordance with business performance, e.g. “zidousya no uriage ga koutyou: (Sales of cars are good)” (The polarity positive is assigned in this example). We may use causal expressions assigned polarity by our method, e.g., to analyze content of articles concerning business performance circumstantially. First, our method classifies articles concerning business performance into positive articles and negative articles. Using them, our method assigns polarity (positive or negative) to causal information extracted from the set of articles concerning business performance. Although our method needs training dataset for classifying articles concerning business performance into positive and negative ones, our method does not need a training dataset for assigning polarity to causal information. Hence, even if causal information not appearing in the training dataset for classifying articles concerning business performance into positive and negative ones exist, our method is able to assign it polarity by using statistical information of this classified sets of articles. We evaluated our method and confirmed that it attained 74.4% precision and 50.4% recall of assigning polarity positive, and 76.8% precision and 61.5% recall of assigning polarity negative, respectively.

  15. Retention of intermediate polarization states in ferroelectric materials enabling memories for multi-bit data storage

    Science.gov (United States)

    Zhao, Dong; Katsouras, Ilias; Asadi, Kamal; Groen, Wilhelm A.; Blom, Paul W. M.; de Leeuw, Dago M.

    2016-06-01

    A homogeneous ferroelectric single crystal exhibits only two remanent polarization states that are stable over time, whereas intermediate, or unsaturated, polarization states are thermodynamically instable. Commonly used ferroelectric materials however, are inhomogeneous polycrystalline thin films or ceramics. To investigate the stability of intermediate polarization states, formed upon incomplete, or partial, switching, we have systematically studied their retention in capacitors comprising two classic ferroelectric materials, viz. random copolymer of vinylidene fluoride with trifluoroethylene, P(VDF-TrFE), and Pb(Zr,Ti)O3. Each experiment started from a discharged and electrically depolarized ferroelectric capacitor. Voltage pulses were applied to set the given polarization states. The retention was measured as a function of time at various temperatures. The intermediate polarization states are stable over time, up to the Curie temperature. We argue that the remarkable stability originates from the coexistence of effectively independent domains, with different values of polarization and coercive field. A domain growth model is derived quantitatively describing deterministic switching between the intermediate polarization states. We show that by using well-defined voltage pulses, the polarization can be set to any arbitrary value, allowing arithmetic programming. The feasibility of arithmetic programming along with the inherent stability of intermediate polarization states makes ferroelectric materials ideal candidates for multibit data storage.

  16. Performance of the SLC polarized electron source with high polarization

    International Nuclear Information System (INIS)

    Clendenin, J.E.; Alley, R.K.; Aoyagi, H.

    1993-04-01

    For the 1992 operating cycle of the SLAC Linear Collider (SLC), the polarized electron source (PES) during its maiden run successfully met the pulse intensity and overall efficiency requirements of the SLC. However, the polarization of the bulk GaAs cathode was low (∼27%) and the pulse-to-pulse stability was marginal. We have shown that adequate charge for the SLC can be extracted from a strained layer cathode having P e ∼80% even though the quantum efficiency (QE) is - beam stability. The performance of the PES during the 1993 SLC operating cycle with these and other improvements is discussed

  17. PIPER: Primordial Inflation Polarization Explorer

    Science.gov (United States)

    Lazear, Justin; Benford, D.; Chuss, D.; Fixsen, D.; Hinderks, J.; Hinshaw, G.; Jhabvala, C.; Johnson, B.; Kogut, A.; Mirel, P.; Mosely, H.; Staguhn, J.; Wollack, E.; Weston, A.; Vlahacos, K.; Bennett, C.; Eimer, J.; Halpern, M.; Irwin, K.; Dotson, J.; Ade, P.; Tucker, C.

    2011-05-01

    The Primordial Inflation Polarization Explorer (PIPER) is a balloon-borne instrument to measure the polarization of the cosmic microwave background in search of the expected signature of primordial gravity waves excited during an inflationary epoch shortly after the Big Bang. PIPER consists of two co-aligned telescopes, one sensitive to the Q Stokes parameter and the other to U. Sky signals will be detected with 5120 transition edge sensor (TES) bolometers distributed in four rectangular close-packed arrays maintained at 100 mK. To maximize the sensitivity of the instrument, both telescopes are mounted within a single open bucket dewar and are maintained at 1.5 K throughout flight, with no ambient-temperature windows between the sky and the detectors. To mitigate the effects of systematic errors, the polarized sky signals will be modulated using a variable-delay polarization modulator. PIPER will observe at frequencies 200, 270, 350, and 600 GHz to separate the CMB from polarized dust emission within the Galaxy. A series of flights alternating between northern and southern hemisphere launch sites will produce nearly full-sky maps in Stokes I, Q, U, and V. I will discuss the current status and potential science returns from the PIPER project.

  18. Polar metals by geometric design

    Science.gov (United States)

    Kim, T. H.; Puggioni, D.; Yuan, Y.; Xie, L.; Zhou, H.; Campbell, N.; Ryan, P. J.; Choi, Y.; Kim, J.-W.; Patzner, J. R.; Ryu, S.; Podkaminer, J. P.; Irwin, J.; Ma, Y.; Fennie, C. J.; Rzchowski, M. S.; Pan, X. Q.; Gopalan, V.; Rondinelli, J. M.; Eom, C. B.

    2016-05-01

    Gauss’s law dictates that the net electric field inside a conductor in electrostatic equilibrium is zero by effective charge screening; free carriers within a metal eliminate internal dipoles that may arise owing to asymmetric charge distributions. Quantum physics supports this view, demonstrating that delocalized electrons make a static macroscopic polarization, an ill-defined quantity in metals—it is exceedingly unusual to find a polar metal that exhibits long-range ordered dipoles owing to cooperative atomic displacements aligned from dipolar interactions as in insulating phases. Here we describe the quantum mechanical design and experimental realization of room-temperature polar metals in thin-film ANiO3 perovskite nickelates using a strategy based on atomic-scale control of inversion-preserving (centric) displacements. We predict with ab initio calculations that cooperative polar A cation displacements are geometrically stabilized with a non-equilibrium amplitude and tilt pattern of the corner-connected NiO6 octahedra—the structural signatures of perovskites—owing to geometric constraints imposed by the underlying substrate. Heteroepitaxial thin-films grown on LaAlO3 (111) substrates fulfil the design principles. We achieve both a conducting polar monoclinic oxide that is inaccessible in compositionally identical films grown on (001) substrates, and observe a hidden, previously unreported, non-equilibrium structure in thin-film geometries. We expect that the geometric stabilization approach will provide novel avenues for realizing new multifunctional materials with unusual coexisting properties.

  19. NMR dispersion measurement of dynamic nuclear polarization

    International Nuclear Information System (INIS)

    Davies, K.; Cox, S.F.J.

    1978-01-01

    The feasibility of monitoring dynamic nuclear polarization from the NMR dispersive susceptibility is examined. Two prototype instruments are tested in a polarized proton target using organic target material. The more promising employs a tunnel diode oscillator, inside the target cavity, and should provide a precise polarization measurement working at a frequency far enough from the main resonance for the disturbance of the measured polarization to be negligible. Other existing methods for measuring target polarization are briefly reviewed. (author)

  20. Polarization in electron and proton beams

    International Nuclear Information System (INIS)

    Buon, J.

    1986-03-01

    One first introduces the concept of polarization for spin 1/2 particle beams and discusses properties of spin kinetics in a stationary magnetic field. Then the acceleration of polarized protons in synchrotrons is studied with emphasis on depolarization when resonances are crossed and on the cures for reducing it. Finally, transverse polarization of electrons in storage rings is discussed as an equilibrium between polarizing and depolarizing effects of synchrotron radiation. Means for obtaining longitudinal polarization are also treated

  1. Frequency dependent polarization in blazars

    International Nuclear Information System (INIS)

    Bjoernsson, C.I.

    1984-10-01

    It is argued that the intrinsic frequency dependent polarization in blazars finds its most straightforward explanations in terms of a single rather than a multicomponent sourcemodel. In order to reproduce the observations, under the assumption that the emission mechanism is optically thin synchrotron radiation, both a well ordered magnetic field and an electron distribution with a sharp break or cuttoff are necessary. Non-uniform pitch angle distribution and/or environments where synchrotron losses are important are both conducive to producing strong frequency dependent polarization. Reasons are put forth as to why such conditions ar expected to occur in blazars. Two specific models are discussed in detail and it is shown that they are both able to produce strong frequency dependent polarization, even when the spectral index changes by a small amount only. (orig.)

  2. Report of the polarization group

    International Nuclear Information System (INIS)

    Ford, W.; Kondo, K.; Martin, F.; Manning, G.; Miller, D.; Prescott, C.

    1975-01-01

    The use of longitudinal polarization in the reaction e + e - → μ + μ - was studied. Modifications of the magnetic insertion which could reduce synchrotron radiation by two or more were considered. In addition, a specific design is suggested which incorporates the optimized magnetic configuration; it is assumed that no particle detection is necessary near the interaction vertex and the synchrotron radiation is ''dumped'' up - and downstream. Also considered were vacuum chambers in which the synchrotron radiation is absorbed locally so that shielded regions are provided for detectors near the interaction vertex. A scheme for rotating the polarization outside the experiment areas is detailed; in this way the design of experiments is greatly simplified. Local intense ionization of residual gas in the interaction region due to synchrotron radiation at the insertion was studied. Finally, some general considerations in the production and measurement of beam polarization are summarized. 2 figures

  3. Analysis of the Influence of a Uniform Hydrometeorological Formation on the Polarization Characteristics of an Electromagnetic Wave

    Science.gov (United States)

    Masalov, E. V.; Krivin, N. N.; Eshchenko, S. Yu.

    2018-01-01

    The influence of a homogeneous medium filled with water droplets on the polarization structure of electromagnetic waves propagating in it, emitted in series with horizontal and circular (e.g., right-handed) polarization, is considered. An approach is proposed for estimating the influence of the resulting transformation of the polarization structure on the magnitude of the modified radar reflectivity, based on the use of the functional dependence of the components of the Jones vector on the angle of ellipticity and the tilt angle of the polarization ellipse. A distinguishing feature of the proposed approach consists in the relationships calculated using it for determining the modified radar reflectivity, obtained for the case of backscattering by the medium, where the orientation of the polarization basis of the medium is different from that of the measurement basis. Estimates of the modified radar reflectivity have been obtained, allowing one to determine regions with elevated values of this parameter.

  4. Uses of laser optical pumping to produce polarized ion beams

    International Nuclear Information System (INIS)

    Anderson, L.W.

    1983-01-01

    Laser optical pumping can be used to produce polarized alkali atom beams or polarized alkali vapor targets. Polarized alkali atom beams can be converted into polarized alkali ion beams, and polarized alkali vapor targets can be used to produce polarized H - or 3 He - ion beams. In this paper the authors discuss how the polarized alkali atom beams and polarized alkali vapor targets are used to produce polarized ion beams with emphasis on the production of polarized negative ion beams

  5. Polar representation of centrifugal pump homologous curves

    International Nuclear Information System (INIS)

    Veloso, Marcelo Antonio; Mattos, Joao Roberto Loureiro de

    2008-01-01

    Essential for any mathematical model designed to simulate flow transient events caused by pump operations is the pump performance data. The performance of a centrifugal pump is characterized by four basic parameters: the rotational speed, the volumetric flow rate, the dynamic head, and the hydraulic torque. Any one of these quantities can be expressed as a function of any two others. The curves showing the relationships between these four variables are called the pump characteristic curves, also referred to as four-quadrant curves. The characteristic curves are empirically developed by the pump manufacturer and uniquely describe head and torque as functions of volumetric flow rate and rotation speed. Because of comprising a large amount of points, the four-quadrant configuration is not suitable for computational purposes. However, it can be converted to a simpler form by the development of the homologous curves, in which dynamic head and hydraulic torque ratios are expressed as functions of volumetric flow and rotation speed ratios. The numerical use of the complete set of homologous curves requires specification of sixteen partial curves, being eight for the dynamic head and eight for the hydraulic torque. As a consequence, the handling of homologous curves is still somewhat complicated. In solving flow transient problems that require the pump characteristic data for all the operation zones, the polar form appears as the simplest way to represent the homologous curves. In the polar method, the complete characteristics of a pump can be described by only two closed curves, one for the dynamic head and other for the hydraulic torque, both in function of a single angular coordinate defined adequately in terms of the quotient between volumetric flow ratio and rotation speed ratio. The usefulness and advantages of this alternative method are demonstrated through a practical example in which the homologous curves for a pump of the type used in the main coolant loops of a

  6. Polarization-Dependent Multi-Functional Metamaterial as Polarization Filter, Transparent Wall and Circular Polarizer using Ring-Cross Resonator

    Directory of Open Access Journals (Sweden)

    Z. Zhang

    2017-09-01

    Full Text Available We propose a polarization-dependent multi-functional metamaterial using ring-cross resonator. Based on the analysis of surface current distributions induced by different polarized incidence, we demonstrate that the proposed metamaterial serves as a polarization filter, a transparent wall and a circular polarizer under different polarization normal incidence. Additionally, parameter analyses on the control of resonance are discussed to complementally explain the physical origin. Simulated results show that the proposed metamaterial functions as a polarization filter eliminating the x-polarization wave at 10.1 GHz and y-polarization wave at 14.3 GHz, a transparent wall transmitting both x-polarized and y-polarized incident waves at 12.6 GHz, and a broadband circular polarizer converting the +45° polarized (-45° polarized incident wave to the left (right handed circularly polarized wave from 10.8 to 12.8 GHz, respectively. Measured results agree well with the simulation and validate the performance of the proposed multifunctional metamaterial.

  7. Conceptual basis of outcome measures.

    Science.gov (United States)

    Keith, R A

    1995-01-01

    Because of its treatment configuration and the assumption of long-term benefit, rehabilitation has had a continuing interest in the measurement of outcomes. The utility of outcome indicators rests on their conceptual foundations, the technical development of measures and validation research. Some measures, particularly of functional status, have become increasingly sophisticated with the application of psychometric and statistical analysis techniques. Less effort has been devoted to an elaboration of their theoretical basis. A first step is an examination of the assumptions underlying outcome measures, the purpose of this article. Central to an understanding is clarification of definitions of key terms such as outcomes, independence, impairment, disability and handicap. All outcome measures must be seen as part of a social context of norms and expectations. However, most norms in rehabilitation are implied rather than explicit. The assumptions behind several common outcomes are examined with suggestions for ways to increase their utility. The ability of rehabilitation to compete in the current climate, stressing cost-effectiveness, will depend heavily on the robustness of outcome measures.

  8. Basis Document for Sludge Stabilization

    CERN Document Server

    Risenmay, H R

    2001-01-01

    DOE-RL recently issued Safety Evaluation Report (SER) amendments to the PFP Final Safety Analysis Report, HNF-SD-CP-SAR-021 Rev. 2. The Justification for Continued Operations for 2736-ZB and plutonium oxides in BTCs Safety Basis change (letter DOE-RL ABD-074) was approved by one of the SERs. Also approved by SER was the revised accident analysis for Magnesium Hydroxide Precipitation Process (MHPP) gloveboxes HC-230C-3 and HC-230C-5 containing increased glovebox inventories and corresponding increases in seismic release consequence. Numerous implementing documents require revision and issuance to implement the SER approvals. The SER plutonium oxides into BTCs specifically limited the SER scope to ''pure or clean oxides, i.e., 85 wt% or grater Pu, in this feed change'' (SER Section 3.0 Base Information paragraph 4 [page 11]). Comprehensive USQ Evaluation PFP-2001-12 addressed the packaging of Pu alloy metals into BTCs, and the packaging of Pu alloy oxides (powders) into food pack cans and determined that the ac...

  9. Polarized electroluminescence from silicon nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Bagraev, Nikolay; Danilovsky, Eduard; Gets, Dmitry; Klyachkin, Leonid; Kudryavtsev, Andrey; Kuzmin, Roman; Malyarenko, Anna [Ioffe Physical-Technical Institute, 194021 St. Petersburg (Russian Federation); Mashkov, Vladimir [St. Petersburg State Polytechnical University, 195251 St. Petersburg (Russian Federation)

    2012-05-15

    We present the first findings of the circularly polarized electroluminescence (CPEL) from silicon nanostructures which are the p-type ultra-narrow silicon quantum well (Si-QW) confined by {delta}-barriers heavily doped with boron. The CPEL dependences on the forward current and lateral electric field show the circularly polarized light emission which appears to be caused by the exciton recombination through the negative-U dipole boron centers at the Si-QW-{delta}-barriers interface with the assistance of phosphorus donors. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. All-fiber polarization switch

    Science.gov (United States)

    Knape, Harald; Margulis, Walter

    2007-03-01

    We report an all-fiber polarization switch made out of silica-based microstructured fiber suitable for Q-switching all-fiber lasers. Nanosecond high-voltage pulses are used to heat and expand an internal electrode to cause λ/2-polarization rotation in less than 10 ns for 1.5 μm light. The 10 cm long component has an experimentally measured optical insertion loss of 0.2 dB and a 0-10 kHz repetition frequency capacity and has been durability tested for more than 109 pulses.

  11. The sensitivity of income polarization

    DEFF Research Database (Denmark)

    Hussain, Azhar

    2009-01-01

    This study looks at polarization and its components' sensitivity to assumptions about equivalence scales, income definition, ethical income distribution parameters, and the income accounting period. A representative sample of Danish individual incomes from 1984 to 2002 is utilised. Results show...... that polarization has increased over time, regardless of the applied measure, when the last part of the period is compared to the first part of the period; primary causes being increased inequality (alienation) and faster income growth among high incomes relative to those in the middle of the distribution...

  12. Graphics of polar figure; Graficado de figura polar

    Energy Technology Data Exchange (ETDEWEB)

    Macias B, L.R

    1991-11-15

    The objective of this work, is that starting from a data file coming from a spectra that has been softened, and of the one that have been generated its coordinates to project it in stereographic form, to create the corresponding polar figure making use of the Cyber computer of the ININ by means of the GRAPHOS package. This work only requires a Beta, Fi and Intensity (I) enter data file. It starts of the existence of a softened spectra of which have been generated already with these data, making use of some language that in this case was FORTRAN for the Cyber computer, a program is generated supported in the Graphos package that allows starting of a reading of the Beta, Fi, I file, to generate the points in a stereographic projection and that it culminates with the graph of the corresponding polar figure. The program will request the pertinent information that is wanted to capture in the polar figure just as: date, name of the enter file, indexes of the polar figure, number of levels, radio of the stereographic projection (cms.), crystalline system to which belongs the sample, name the neuter graph file by create and to add the own general data. (Author)

  13. Oocyte Polarization Is Coupled to the Chromosomal Bouquet, a Conserved Polarized Nuclear Configuration in Meiosis.

    Directory of Open Access Journals (Sweden)

    Yaniv M Elkouby

    2016-01-01

    . These results suggest that centrosome positioning is set by the last mitotic oogonial division plane. Thus, oocytes are polarized in two steps: first, mitotic divisions preset the centrosome with no obvious polarization yet, then the meiotic-vegetal center forms at zygotene bouquet stages, when symmetry is, in effect, broken.

  14. Oocyte Polarization Is Coupled to the Chromosomal Bouquet, a Conserved Polarized Nuclear Configuration in Meiosis.

    Science.gov (United States)

    Elkouby, Yaniv M; Jamieson-Lucy, Allison; Mullins, Mary C

    2016-01-01

    suggest that centrosome positioning is set by the last mitotic oogonial division plane. Thus, oocytes are polarized in two steps: first, mitotic divisions preset the centrosome with no obvious polarization yet, then the meiotic-vegetal center forms at zygotene bouquet stages, when symmetry is, in effect, broken.

  15. Sustaining observations in the polar oceans.

    Science.gov (United States)

    Abrahamsen, E P

    2014-09-28

    Polar oceans present a unique set of challenges to sustained observations. Sea ice cover restricts navigation for ships and autonomous measurement platforms alike, and icebergs present a hazard to instruments deployed in the upper ocean and in shelf seas. However, the important role of the poles in the global ocean circulation provides ample justification for sustained observations in these regions, both to monitor the rapid changes taking place, and to better understand climate processes in these traditionally poorly sampled areas. In the past, the vast majority of polar measurements took place in the summer. In recent years, novel techniques such as miniature CTD (conductivity-temperature-depth) tags carried by seals have provided an explosion in year-round measurements in areas largely inaccessible to ships, and, as ice avoidance is added to autonomous profiling floats and gliders, these promise to provide further enhancements to observing systems. In addition, remote sensing provides vital information about changes taking place in sea ice cover at both poles. To make these observations sustainable into the future, improved international coordination and collaboration is necessary to gain optimum utilization of observing networks. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

  16. Continuum treatment of electronic polarization effect.

    Science.gov (United States)

    Tan, Yu-Hong; Luo, Ray

    2007-03-07

    A continuum treatment of electronic polarization has been explored for in molecular mechanics simulations in implicit solvents. The dielectric constant for molecule interior is the only parameter in the continuum polarizable model. A value of 4 is found to yield optimal agreement with high-level ab initio quantum mechanical calculations for the tested molecular systems. Interestingly, its performance is not sensitive to the definition of molecular volume, in which the continuum electronic polarization is defined. In this model, quantum mechanical electrostatic field in different dielectric environments from vacuum, low-dielectric organic solvent, and water can be used simultaneously in atomic charge fitting to achieve consistent treatment of electrostatic interactions. The tests show that a single set of atomic charges can be used consistently in different dielectric environments and different molecular conformations, and the atomic charges transfer well from training monomers to tested dimers. The preliminary study gives us the hope of developing a continuum polarizable force field for more consistent simulations of proteins and nucleic acids in implicit solvents.

  17. Continuum treatment of electronic polarization effect

    Science.gov (United States)

    Tan, Yu-Hong; Luo, Ray

    2007-03-01

    A continuum treatment of electronic polarization has been explored for in molecular mechanics simulations in implicit solvents. The dielectric constant for molecule interior is the only parameter in the continuum polarizable model. A value of 4 is found to yield optimal agreement with high-level ab initio quantum mechanical calculations for the tested molecular systems. Interestingly, its performance is not sensitive to the definition of molecular volume, in which the continuum electronic polarization is defined. In this model, quantum mechanical electrostatic field in different dielectric environments from vacuum, low-dielectric organic solvent, and water can be used simultaneously in atomic charge fitting to achieve consistent treatment of electrostatic interactions. The tests show that a single set of atomic charges can be used consistently in different dielectric environments and different molecular conformations, and the atomic charges transfer well from training monomers to tested dimers. The preliminary study gives us the hope of developing a continuum polarizable force field for more consistent simulations of proteins and nucleic acids in implicit solvents.

  18. VIIRS/J1 polarization narrative

    Science.gov (United States)

    Waluschka, Eugene; McCorkel, Joel; McIntire, Jeff; Moyer, David; McAndrew, Brendan; Brown, Steven W.; Lykke, Keith R.; Young, James B.; Fest, Eric; Butler, James; Wang, Tung R.; Monroy, Eslim O.; Turpie, Kevin; Meister, Gerhard; Thome, Kurtis J.

    2015-09-01

    The polarization sensitivity of the Visible/NearIR (VISNIR) bands in the Joint Polar Satellite Sensor 1 (J1) Visible Infrared Imaging Radiometer Suite (VIIRS) instrument was measured using a broadband source. While polarization sensitivity for bands M5-M7, I1, and I2 was less than 2.5 %, the maximum polarization sensitivity for bands M1, M2, M3, and M4 was measured to be 6.4 %, 4.4 %, 3.1 %, and 4.3 %, respectively with a polarization characterization uncertainty of less than 0.38%. A detailed polarization model indicated that the large polarization sensitivity observed in the M1 to M4 bands is mainly due to the large polarization sensitivity introduced at the leading and trailing edges of the newly manufactured VISNIR bandpass focal plane filters installed in front of the VISNIR detectors. This was confirmed by polarization measurements of bands M1 and M4 bands using monochromatic light. Discussed are the activities leading up to and including the two polarization tests, some discussion of the polarization model and the model results, the role of the focal plane filters, the polarization testing of the Aft-Optics-Assembly, the testing of the polarizers at the National Aeronautics and Space Administration's (NASA) Goddard center and at the National Institute of Science and Technology (NIST) facility and the use of NIST's Traveling Spectral Irradiance and Radiance responsivity Calibrations using Uniform Sources (T-SIRCUS) for polarization testing and associated analyses and results.

  19. VIIRS-J1 Polarization Narrative

    Science.gov (United States)

    Waluschka, Eugene; McCorkel, Joel; McIntire, Jeff; Moyer, David; McAndrew, Brendan; Brown, Steven W.; Lykke, Keith; Butler, James; Meister, Gerhard; Thome, Kurtis J.

    2015-01-01

    The VIS/NIR bands polarization sensitivity of Joint Polar Satellite Sensor 1 (JPSS1) Visible/Infrared Imaging Radiometer Suite (VIIRS) instrument was measured using a broadband source. While polarization sensitivity for bands M5-M7, I1, and I2 was less than 2.5%, the maximum polarization sensitivity for bands M1, M2, M3, and M4 was measured to be 6.4%, 4.4%, 3.1%, and 4.3%, respectively with a polarization characterization uncertainty of less than 0.3%. A detailed polarization model indicated that the large polarization sensitivity observed in the M1 to M4 bands was mainly due to the large polarization sensitivity introduced at the leading and trailing edges of the newly manufactured VISNIR bandpass focal plane filters installed in front of the VISNIR detectors. This was confirmed by polarization measurements of bands M1 and M4 bands using monochromatic light. Discussed are the activities leading up to and including the instruments two polarization tests, some discussion of the polarization model and the model results, the role of the focal plane filters, the polarization testing of the Aft-Optics-Assembly, the testing of the polarizers at Goddard and NIST and the use of NIST's T-SIRCUS for polarization testing and associated analyses and results.

  20. FijiWingsPolarity: An open source toolkit for semi-automated detection of cell polarity.

    Science.gov (United States)

    Dobens, Leonard L; Shipman, Anna; Axelrod, Jeffrey D

    2017-12-22

    Epithelial cells are defined by apical-basal and planar cell polarity (PCP) signaling, the latter of which establishes an orthogonal plane of polarity in the epithelial sheet. PCP signaling is required for normal cell migration, differentiation, stem cell generation and tissue repair, and defects in PCP have been associated with developmental abnormalities, neuropathologies and cancers. While the molecular mechanism of PCP is incompletely understood, the deepest insights have come from Drosophila, where PCP is manifest in hairs and bristles across the adult cuticle and organization of the ommatidia in the eye. Fly wing cells are marked by actin-rich trichome structures produced at the distal edge of each cell in the developing wing epithelium and in a mature wing the trichomes orient collectively in the distal direction. Genetic screens have identified key PCP signaling pathway components that disrupt trichome orientation, which has been measured manually in a tedious and error prone process. Here we describe a set of image processing and pattern-recognition macros that can quantify trichome arrangements in micrographs and mark these directly by color, arrow or colored arrow to indicate trichome location, length and orientation. Nearest neighbor calculations are made to exploit local differences in orientation to better and more reliably detect and highlight local defects in trichome polarity. We demonstrate the use of these tools on trichomes in adult wing preps and on actin-rich developing trichomes in pupal wing epithelia stained with phalloidin. FijiWingsPolarity is freely available and will be of interest to a broad community of fly geneticists studying the effect of gene function on PCP.