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Sample records for symmetric top molecules

  1. Critical binding and electron scattering by symmetric-top polar molecules

    SciTech Connect

    Garrett, W. R.

    2014-10-28

    Quantum treatments of electron interactions with polar symmetric-top rotor molecules show features not present in the treatment of the linear-polar-rotor model. For symmetric tops possessing non-zero angular momentum about the symmetry axis, a new critical dipole can be defined that guarantees an infinite set of dipole-bound states independent of the values of the components of the inertial tensor. Additionally, for this same class, the scattering cross section diverges for all nonzero values of dipole moments and inertial moments, similar to solutions for the fixed linear dipole. Additional predictions are presented for electron affinities and rotational resonances of these systems.

  2. Critical binding and electron scattering by symmetric-top polar molecules.

    PubMed

    Garrett, W R

    2014-10-28

    Quantum treatments of electron interactions with polar symmetric-top rotor molecules show features not present in the treatment of the linear-polar-rotor model. For symmetric tops possessing non-zero angular momentum about the symmetry axis, a new critical dipole can be defined that guarantees an infinite set of dipole-bound states independent of the values of the components of the inertial tensor. Additionally, for this same class, the scattering cross section diverges for all nonzero values of dipole moments and inertial moments, similar to solutions for the fixed linear dipole. Additional predictions are presented for electron affinities and rotational resonances of these systems. PMID:25362310

  3. Theory of x-ray absorption by laser-aligned symmetric-top molecules.

    SciTech Connect

    Buth, C.; Santra, R.; Chemical Sciences and Engineering Division

    2008-01-01

    We devise a theory of x-ray absorption by symmetric-top molecules which are aligned by an intense optical laser. Initially, the density matrix of the system is composed of the electronic ground state of the molecules and a thermal ensemble of rigid-rotor eigenstates. We formulate equations of motion of the two-color (laser plus x rays) rotational-electronic problem. The interaction with the laser is assumed to be nonresonant; it is described by an electric dipole polarizability tensor. X-ray absorption is approximated as a one-photon process. It is shown that the equations can be separated such that the interaction with the laser can be treated independently of the x rays. The laser-only density matrix is propagated numerically. After each time step, the x-ray absorption is calculated. We apply our theory to study adiabatic alignment of bromine molecules (Br2). The required dynamic polarizabilities are determined using the ab initio linear response methods coupled-cluster singles (CCS), second-order approximate coupled-cluster singles and doubles (CC2), and coupled-cluster singles and doubles (CCSD). For the description of x-ray absorption on the {sigma}g1s-->{sigma}u4p resonance, a parameter-free two-level model is used for the electronic structure of the molecules. Our theory opens up novel perspectives for the quantum control of x-ray radiation.

  4. Rovibrational interaction and vibrational constants of the symmetric top molecule 14NF3.

    PubMed

    Najib, Hamid

    2013-01-01

    Several accurate experimental values of the ?(C) and ?(B) rotation-vibration interaction parameters and ?(i), x(ij), and g(ij) vibrational constants have been extracted from the most recent high-resolution Fourier transform infrared, millimeter wave, and centimeter wave investigations in the spectra of the oblate symmetric top molecule (14)NF3. The band-centres used are those of the four fundamental, the overtones, the combination, and hot bands identified in the region between 400 cm(-1) and 2000 cm(-1). Comparison of our constants with the ones measured previously, by infrared spectroscopy at low resolution, reveals orders of magnitude higher accuracy of the new values. The agreement between our values and those determined by ab initio calculations employing the TZ2Pf basis is excellent. PMID:23766711

  5. Rovibrational Interaction and Vibrational Constants of the Symmetric Top Molecule 14NF3

    PubMed Central

    2013-01-01

    Several accurate experimental values of the αC and αB rotation-vibration interaction parameters and ωi, xij, and gij vibrational constants have been extracted from the most recent high-resolution Fourier transform infrared, millimeter wave, and centimeter wave investigations in the spectra of the oblate symmetric top molecule 14NF3. The band-centres used are those of the four fundamental, the overtones, the combination, and hot bands identified in the region between 400 cm−1 and 2000 cm−1. Comparison of our constants with the ones measured previously, by infrared spectroscopy at low resolution, reveals orders of magnitude higher accuracy of the new values. The agreement between our values and those determined by ab initio calculations employing the TZ2Pf basis is excellent. PMID:23766711

  6. Ab initio potential energy surfaces for the large-amplitude motions of quasi-symmetric top molecules: CH 3NCS and SiH 3NCO

    NASA Astrophysics Data System (ADS)

    Koput, Jacek

    1996-09-01

    The potential energy surfaces of methyl isothiocyanate, CH 3NCS, and silyl isocyanate, SiH 3NCO, have been investigated in quantum mechanical ab initio calculations at the SCF, MP2-MP4 and CCSD (T) levels of theory. Total energies of the two molecules were calculated as functions of coordinates of the two large-amplitude motions: the CNC/SiNC bending motion and internal rotation of the methyl/silyl group. At the most advanced level employed, CCSD(T) with the cc-pVTZ basis set, the theoretical results are in good agreement with experimental data and consistent with the quasi-symmetric top model of both molecules.

  7. Molecular structure determination from x-ray scattering patterns of laser-aligned symmetric-top molecules

    SciTech Connect

    Ho, P. J.; Starodub, D.; Saldin, D. K.; Shneerson, V. L.; Ourmazd, A.; Santra, R.

    2009-10-07

    We investigate the molecular structure information contained in the x-ray diffraction patterns of an ensemble of rigid CF{sub 3}Br molecules aligned by an intense laser pulse at finite rotational temperature. The diffraction patterns are calculated at an x-ray photon energy of 20 keV to probe molecular structure at angstrom-scale resolution. We find that a structural reconstruction algorithm based on iterative phase retrieval fails to extract a reliable structure. However, the high atomic number of Br compared with C or F allows each diffraction pattern to be treated as a hologram. Using this approach, the azimuthal projection of the molecular electron density about the alignment axis may be retrieved.

  8. Molecular structure determination from x-ray scattering patterns of laser-aligned symmetric-top molecules.

    SciTech Connect

    Ho, P. J.; Starodub, D.; Saldin, D. K.; Shneerson, V. L.; Ourmazd, A.; Santra, R.; Arizona State Univ.; Univ. of Wisconsin at Milwaukee; Univ. of Chicago

    2009-10-07

    We investigate the molecular structure information contained in the x-ray diffraction patterns of an ensemble of rigid CF{sub 3}Br molecules aligned by an intense laser pulse at finite rotational temperature. The diffraction patterns are calculated at an x-ray photon energy of 20 keV to probe molecular structure at angstrom-scale resolution. We find that a structural reconstruction algorithm based on iterative phase retrieval fails to extract a reliable structure. However, the high atomic number of Br compared with C or F allows each diffraction pattern to be treated as a hologram. Using this approach, the azimuthal projection of the molecular electron density about the alignment axis may be retrieved.

  9. Collision dynamics of symmetric top molecules: A comparison of the rotationally inelastic scattering of CD{sub 3} and ND{sub 3} with He

    SciTech Connect

    Tkáč, Ondřej; Orr-Ewing, Andrew J.; Dagdigian, Paul J.; Alexander, Millard H.; Onvlee, Jolijn; Avoird, Ad van der

    2014-04-07

    We compare rotationally inelastic scattering of deuterated methyl radicals (CD{sub 3}) and ammonia (ND{sub 3}) in collisions with helium using close-coupling quantum-mechanical scattering calculations performed with ab initio potential energy surfaces (PESs). The theoretical methods have been rigorously tested against angle-resolved experimental measurements obtained using crossed molecular beam apparatuses in combination with velocity map imaging [O. Tkáč, A. G. Sage, S. J. Greaves, A. J. Orr-Ewing, P. J. Dagdigian, Q. Ma, and M. H. Alexander, Chem. Sci. 4, 4199 (2013); O. Tkáč, A. K. Saha, J. Onvlee, C.-H. Yang, G. Sarma, C. K. Bishwakarma, S. Y. T. van de Meerakker, A. van der Avoird, D. H. Parker, and A. J. Orr-Ewing, Phys. Chem. Chem. Phys. 16, 477 (2014)]. Common features of the scattering dynamics of these two symmetric top molecules, one closed-shell and the other an open-shell radical, are identified and discussed. Two types of anisotropies in the PES influence the interaction of an atom with a nonlinear polyatomic molecule. The effects of these anisotropies can be clearly seen in the state-to-state integral cross sections out of the lowest CD{sub 3} rotational levels of each nuclear spin symmetry at a collision energy of 440 cm{sup −1}. Similarities and differences in the differential cross sections for the ND{sub 3}–He and CD{sub 3}–He systems can be linked to the coupling terms derived from the PESs which govern particular initial to final rotational level transitions.

  10. Rotational excitation of symmetric top molecules by collisions with atoms: Close coupling, coupled states, and effective potential calculations for NH3-He

    NASA Technical Reports Server (NTRS)

    Green, S.

    1976-01-01

    The formalism for describing rotational excitation in collisions between symmetric top rigid rotors and spherical atoms is presented both within the accurate quantum close coupling framework and also the coupled states approximation of McGuire and Kouri and the effective potential approximation of Rabitz. Calculations are reported for thermal energy NH3-He collisions, treating NH3 as a rigid rotor and employing a uniform electron gas (Gordon-Kim) approximation for the intermolecular potential. Coupled states are found to be in nearly quantitative agreement with close coupling results while the effective potential method is found to be at least qualitatively correct. Modifications necessary to treat the inversion motion in NH3 are discussed.

  11. Resonances in the heavy symmetrical top with vibrating pivot

    NASA Astrophysics Data System (ADS)

    Bhattacharjee, S.

    2013-02-01

    In this work we consider a heavy symmetrical top whose pivot is subjected to small-amplitude, high-frequency vibrations in the vertical direction. For analytical simplicity we confine ourselves to positions of the top close to the vertical. We first apply the slow-fast separation method originally devised by Kapitza and Landau for analysing the vibrational stabilization of an inverted pendulum. This analysis yields the slow precession frequency but we see that the equations become undefined at a particular value of the vibration frequency. This breakdown is seen to correspond to a resonance and we use Euler's equations to write down the solution at the resonance. For vibration in the horizontal direction there is a resonance at more or less the same frequency as before but the dynamics at the resonance is different from the former case.

  12. Modulated structures in nematic monolayers formed by symmetric molecules.

    PubMed

    Lelidis, I; Barbero, G

    2005-02-01

    An analysis based on symmetry yields a general form for the deformation elastic energy of a nematic monolayer, formed by achiral symmetric molecules, deposited on a solid substrate. Lifshitz-invariant-like terms in the energy, which originate from the substrate field, can induce a modulated-tilt state if the anchoring energy is sufficiently low. A way to enhance the symmetry breaking is to apply a destabilizing magnetic or electric field that serves to lower the anchoring energy. In the case of an initial state with homeotropic alignment, the phase diagram displays a cusp-shaped tilt-modulated state intervening between two uniform tilt states. PMID:15783361

  13. Systematic studies of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher derivative methods: Applications to asymmetric and symmetric top and linear polyatomic molecules

    SciTech Connect

    Clabo, D.A. Jr.

    1987-04-01

    Inclusion of the anharmonicity normal mode vibrations (i.e., the third and fourth (and higher) derivatives of a molecular Born-Oppenheimer potential energy surface) is necessary in order to theoretically reproduce experimental fundamental vibrational frequencies of a molecule. Although ab initio determinations of harmonic vibrational frequencies may give errors of only a few percent by the inclusion of electron correlation within a large basis set for small molecules, in general, molecular fundamental vibrational frequencies are more often available from high resolution vibration-rotation spectra. Recently developed analytic third derivatives methods for self-consistent-field (SCF) wavefunctions have made it possible to examine with previously unavailable accuracy and computational efficiency the anharmonic force fields of small molecules.

  14. Collisional Transitions in Interstellar Asymmetric Top Molecules

    NASA Astrophysics Data System (ADS)

    Chandra, Suresh

    2012-07-01

    For the study of a molecule in interstellar space or in circumstellar envelopes of an evolved star, one has to deal with a multi-level system in the molecule. These levels are connected through radiative as well as collisional transitions. The NLTE effects in a molecule come in the picture only when collisional transitions are present. Computation of collisional rates is quite cumbersome task. Besides emission and absorption, two anomalous phenomena: (i) MASER action and (ii) Anomalous absorption (Absorption against the CMB) are shown by some molecules in interstellar space. Both of these phenomena are good examples of NLTE prevailing in the interstellar space and circumstellar envelopes of evolved stars. In the present talk, we shall discuss about the collisional transitions between rotational levels in a molecule. The collisional rate coefficients for the rotational transition J ? ? J' ?' at the kinetic temperature T, averaged over the Maxwellian distribution are C(J ? ? J' ?'|T) = \\Big(\\frac{8 k T}{? ?}\\Big)^{1/2} \\Big(\\frac{1}{k T}\\Big)^2 \\int_0^\\infty ? (J ? ? J' ?'|E) E {e}^{-E/kT} {d} E where ? is the reduced mass of the system and the cross section ?(J ? ? J' ?'|E) for the transition is \\begin{eqnarray} ? (J ? ? J' ?'|E) = \\sum_{L M M'} S(J, ?, J', ?'|L, M, M') q(L, M, M'|E) The q(L, M, M'|E) are the parameters which can be obtained from the software MOLSCAT. The spectroscopic coefficients, S ( J, ?, J', ?'|L, M, M'), depend on the wave-functions of the molecules and on the angular momentum coupling factors: S(J, ?, J', ?'|L, M, M') = \\sum_{p, p', q, q'} g^p_{J ?} g^q_{J ?} g^{p'}_{J' ?'} g^{q'}_{J' ?'} \\big \\big Here, \\big represents the Clebsch-Gorden coefficient. The g-coefficients can be obtained from laboratory analysis of the molecule and the parameters q(L, M, M'|E) can be obtained with the help of the software MOLSCAT for a known interaction potential. As an example, we shall discuss collisional rates for rotational transitions in H_2CS molecule.

  15. Multipulse Three-Dimensional Alignment of Asymmetric Top Molecules

    NASA Astrophysics Data System (ADS)

    Ren, Xiaoming; Makhija, Varun; Kumarappan, Vinod

    2014-05-01

    We show, by computation and experiment, that a sequence of nonresonant and impulsive laser pulses with different ellipticities can effectively align asymmetric top molecules in three dimensions under field-free conditions. By solving the Schrödinger equation for the evolution of the rotational wave packet, we show that the 3D alignment of 3,5 difluoroiodobenzene molecules improves with each successive pulse. Experimentally, a sequence of three pulses is used to demonstrate these results, which extend the multipulse schemes used for 1D alignment to full 3D control of rotational motion.

  16. Collisional decoherence and rotational quasirevivals in asymmetric-top molecules

    NASA Astrophysics Data System (ADS)

    Tenney, Ian F.; Artamonov, Maxim; Seideman, Tamar; Bucksbaum, Philip H.

    2016-01-01

    We demonstrate the observation of quasiperiodic revivals out to 27 ps in an impulsively aligned asymmetric-top molecule, sulfur dioxide (SO2), at high sample temperature and density (295 K, 0.5 bar). We find that the asymmetric top exhibits a strong correlation between population alignment and population lifetime (r =0.97 ), in accordance with the trend observed in linear molecules. We use a linear birefringence measurement fit to a full quantum simulation of the asymmetric rotor and are able to separately measure both the population (T1) and coherence (T2) lifetimes of the rotational wave packet. Additionally, we observe a high rate of elastic decoherence (T2*=9.6 ps ) and attribute this to long-range interactions mediated by the permanent dipole of the SO2 molecule. We propose the use of birefringence measurements to study intermolecular interactions in a coherent ensemble, as a step toward using field-free alignment to investigate reaction dynamics and dissipative processes.

  17. Towards Understanding Quantum Monodromy in Quasi-Symmetric Molecules: Fassst Rotational Spectra of CH_3NCO and CH_3NCS

    NASA Astrophysics Data System (ADS)

    Kisiel, Zbigniew; Fortman, Sarah; Medvedev, Ivan R.; Winnewisser, Manfred; De Lucia, Frank C.; Koput, Jacek

    2010-06-01

    The recent studies of the rotational spectrum of the NCNCS molecule demonstrated the success of quantum monodromy in describing the quasilinear behavior of this molecule, inclusive of the abrupt transition of spectroscopic behavior from the bent to the linear molecule regime. Similar, quasisymmetric behaviour, is known to be present in symmetric top molecules, and has been studied at lowest-J transitions for two such molecules, CH_3NCO and CH_3NCS. Further progress requires more experimental data and presently we report FASSST rotational spectra of CH_3NCO and CH_3NCS. The spectra provide practically continuous 117-376 GHz coverage and are very rich, since the ladder of excited vibrational states associated with the qusilinear bending coordinate is multiplied by the nearly free internal rotation of the methyl group. Initial stages of the analysis leading up to an analysis in an extension of the framework used for NCNCS are described. B.P.Winnewisser, et al., Phys. Rev. Lett. 95. 243002 (2005). M.Winnewisser, et al., J. Mol. Struct. 798, 1 {2006}. B.P.Winnewisser, et al., Phys. Chem. Chem. Phys. DOI:10.1039/B922023B (2010). J.Koput, J. Mol. Spectrosc. 115, 131 (1986) J.Koput, J. Mol. Spectrosc. 118, 189 (1986)

  18. Consistent assignment of the vibrations of symmetric and asymmetric para-disubstituted benzene molecules

    NASA Astrophysics Data System (ADS)

    Andrejeva, Anna; Gardner, Adrian M.; Tuttle, William D.; Wright, Timothy G.

    2016-03-01

    We give a description of the phenyl-ring-localized vibrational modes of the ground states of the para-disubstituted benzene molecules including both symmetric and asymmetric cases. In line with others, we quickly conclude that the use of Wilson mode labels is misleading and ambiguous; we conclude the same regarding the related ones of Varsányi. Instead we label the modes consistently based upon the Mulliken (Herzberg) method for the modes of para-difluorobenzene (pDFB). Since we wish the labelling scheme to cover both symmetrically- and asymmetrically-substituted molecules, we apply the Mulliken labelling under C2v symmetry. By studying the variation of the vibrational wavenumbers with mass of the substituent, we are able to identify the corresponding modes across a wide range of molecules and hence provide consistent assignments. Particularly interesting are pairs of vibrations that evolve from in- and out-of-phase motions in pDFB to more localized modes in asymmetric molecules. We consider the para isomers of the following: the symmetric dihalobenzenes, xylene, hydroquinone, the asymmetric dihalobenzenes, halotoluenes, halophenols and cresol.

  19. Langmuir Fiilms of Anthracene Derivatives on Liquid Mercury I: Symmetric Molecules

    SciTech Connect

    Tamam,L.; Kraack, H.; Sloutskin, E.; Ocko, B.; Pershan, P.; Ofer, E.; Deutsch, M.

    2007-01-01

    The structure and phase sequence of liquid-mercury-supported Langmuir films (LFs) of two symmetric acenes, anthracene and anthraquinone, were studied by surface tensiometry and X-ray diffraction. At low coverage, both form a monolayer of surface-parallel, flat-lying, molecules. At high coverage, we find a monolayer of side-lying molecules, where the molecular plane is surface-normal, and the molecular long axis is surface-parallel. None of these phases exhibit long-range in-plane order.

  20. Inducing changes in the bond length of diatomic molecules by time-symmetric chirped pulses

    SciTech Connect

    Chang, Bo Y.; Shin, Seokmin; Sola, Ignacio R.

    2010-12-15

    We show numerically that it is possible to change the structure of a simple molecule, that is, a diatomic molecule, where the bond length is modified at a precise timing with symmetrically chirped laser pulses. In the adiabatic regime, the process is fully time reversible, making it possible to design slow vibrations with large bond elongations. The scheme relies on the preparation of a separable state of both nuclear and electronic degrees of freedom with predominant amplitude on the dissociative (antibonding) electronic wave function. Shorter laser pulses can be used to dynamically induce larger bond elongations, preparing a highly excited vibrational wave packet in the ground potential as the laser is switched off.

  1. Electron-impact rotational excitation of symmetric-top molecular ions

    NASA Astrophysics Data System (ADS)

    Faure, A.; Tennyson, Jonathan

    2002-09-01

    We present electron-impact rotational excitation calculations for polyatomic molecular ions. The theory developed in this paper is an extension of the work of Rabadán et al (Rabadán I, Sarpal B K and Tennyson J 1998 J. Phys. B: At. Mol. Opt. Phys. 31 2077) on linear molecular ions to the case of symmetric-top species. The H3+ and H3O+ ions, as well as their deuterated forms D3+ and D3O+, are used as test cases and cross sections are obtained at various levels of approximation for impact energies up to 5 eV. As in the linear case, the widely used Coulomb-Born (CB) approximation is found to be unreliable in two major aspects: transitions with ΔJ > 1 are entirely dominated by short-range interactions and threshold effects are important at very low energies. Electron collisional selection rules are found to be consistent with the CB theory. In particular, dominant transitions are those for which ΔJ ≤ 2 and ΔK = 0.

  2. Conductance through single biphenyl molecules: symmetric and asymmetric coupling to electrodes.

    PubMed

    Kanthasamy, Karthiga; Pfnr, Herbert

    2015-01-01

    The contacts and the chemical bonds formed between metallic electrodes and molecules determine to a large extent the conductive properties of single molecular junctions, which represent the smallest possible active elements in an electronic circuit. We therefore investigated in a comparative study, using the break junction technique (MCBJ), the conductive properties of [1,1'-biphenyl]-4,4'-dithiol (M1) and of 4'-mercapto-[1,1'-biphenyl]-4-carbonitrile (M2) between gold electrodes. As a function of electrode separation, characterized by the conductance close to 0 V, we found several plateaus of relative stability, with those close to 0.01G0 being the most pronounced. The overall conductance of symmetric and asymmetric molecules were surprisingly similar, only the range of stability was smaller for M2. While M1 yielded symmetric I-V-curves, only small asymmetries were detected for M2. These are also reflected in the comparable values for coupling parameters using the single level resonance model. The high conductance for the asymmetric molecule is interpreted as a result of coherent coupling of electronic states through the whole molecule, so that the outcome cannot be predicted just by adding conductive properties of individual molecular groups. PMID:26425419

  3. Conductance through single biphenyl molecules: symmetric and asymmetric coupling to electrodes

    PubMed Central

    Kanthasamy, Karthiga

    2015-01-01

    Summary The contacts and the chemical bonds formed between metallic electrodes and molecules determine to a large extent the conductive properties of single molecular junctions, which represent the smallest possible active elements in an electronic circuit. We therefore investigated in a comparative study, using the break junction technique (MCBJ), the conductive properties of [1,1-biphenyl]-4,4-dithiol (M1) and of 4-mercapto-[1,1-biphenyl]-4-carbonitrile (M2) between gold electrodes. As a function of electrode separation, characterized by the conductance close to 0 V, we found several plateaus of relative stability, with those close to 0.01G0 being the most pronounced. The overall conductance of symmetric and asymmetric molecules were surprisingly similar, only the range of stability was smaller for M2. While M1 yielded symmetric IV-curves, only small asymmetries were detected for M2. These are also reflected in the comparable values for coupling parameters using the single level resonance model. The high conductance for the asymmetric molecule is interpreted as a result of coherent coupling of electronic states through the whole molecule, so that the outcome cannot be predicted just by adding conductive properties of individual molecular groups. PMID:26425419

  4. Charge symmetric dissociation of doubly ionized N2 and CO molecules.

    PubMed

    Pandey, A; Bapat, B; Shamasundar, K R

    2014-01-21

    We report a comparative study of the features in dissociative double ionization by high energy electron impact of N2 and CO molecules. The ratio of cross-section of charge symmetric dissociative ionization to non-dissociative ionization (CSD-to-ND ratio) and the kinetic energy release (KER) spectra of dissociation are experimentally measured and carefully corrected for various ion transmission losses and detector inefficiencies. Given that the double ionization cross sections of these iso-electronic diatomics are very similar, the large difference in the CSD-to-ND ratios must be attributable to the differences in the evolution dynamics of the dications. To understand these differences, potential energy curves (PECs) of dications have been computed using multi-reference configuration interaction method. The Franck-Condon factors and tunneling life times of vibrational levels of dications have also been computed. While the KER spectrum of N2 (++) can be readily explained by considering dissociation via repulsive states and tunneling of meta-stable states, indirect dissociation processes such as predissociation and autoionization have to be taken into account to understand the major features of the KER spectrum of CO(++). Direct and indirect processes identified on the basis of the PECs and experimental KER spectra also provide insights into the differences in the CSD-to-ND ratios. PMID:25669391

  5. Charge symmetric dissociation of doubly ionized N{sub 2} and CO molecules

    SciTech Connect

    Pandey, A. Bapat, B.; Shamasundar, K. R.

    2014-01-21

    We report a comparative study of the features in dissociative double ionization by high energy electron impact of N{sub 2} and CO molecules. The ratio of cross-section of charge symmetric dissociative ionization to non-dissociative ionization (CSD-to-ND ratio) and the kinetic energy release (KER) spectra of dissociation are experimentally measured and carefully corrected for various ion transmission losses and detector inefficiencies. Given that the double ionization cross sections of these iso-electronic diatomics are very similar, the large difference in the CSD-to-ND ratios must be attributable to the differences in the evolution dynamics of the dications. To understand these differences, potential energy curves (PECs) of dications have been computed using multi-reference configuration interaction method. The Franck-Condon factors and tunneling life times of vibrational levels of dications have also been computed. While the KER spectrum of N{sub 2}{sup ++} can be readily explained by considering dissociation via repulsive states and tunneling of meta-stable states, indirect dissociation processes such as predissociation and autoionization have to be taken into account to understand the major features of the KER spectrum of CO{sup ++}. Direct and indirect processes identified on the basis of the PECs and experimental KER spectra also provide insights into the differences in the CSD-to-ND ratios.

  6. Collision-induced absorption in mixtures of symmetrical linear and tetrahedral molecules - Methane-nitrogen

    NASA Technical Reports Server (NTRS)

    Birnbaum, G.; Borysow, A.; Buechele, A.

    1993-01-01

    The far infrared absorption of a CH4-N2 mixture was measured at 297, 195, and 162 K from 30 to 650/cm. The spectral invariants gamma1 and alpha1, proportional, respectively, to the zeroth and first spectral moments, due to bimolecular collisions between CH4 and N2 were obtained from these data and compared with theoretical values. The theory for collision-induced dipoles between a tetrahedral and a diatomic or symmetrical linear molecule includes contributions not previously considered. Whereas the theoretical values of gamma1 are only somewhat greater than experiment at all temperatures, the theoretical values of alpha1 are significantly lower than the experimental values. From the theoretical spectral moments for the various induced dipole components, the parameters of the BC shape were computed, and theoretical spectra were constructed. Good agreement was obtained at the lower frequencies, but with increasing frequencies the theoretical spectra were increasingly less intense than the experimental spectra. Although the accuracy of the theoretical results may suffer from the lack of a reliable potential function, it does not appear that this high frequency discrepancy can be removed by any conceivable modification in the potential.

  7. Single-molecule Observation of Protein Folding in Symmetric GroEL-(GroES)2 Complexes*

    PubMed Central

    Takei, Yodai; Iizuka, Ryo; Ueno, Taro; Funatsu, Takashi

    2012-01-01

    The chaperonin, GroEL, is an essential molecular chaperone that mediates protein folding together with its cofactor, GroES, in Escherichia coli. It is widely believed that the two rings of GroEL alternate between the folding active state coupled to GroES binding during the reaction cycle. In other words, an asymmetric GroEL-GroES complex (the bullet-shaped complex) is formed throughout the cycle, whereas a symmetric GroEL-(GroES)2 complex (the football-shaped complex) is not formed. We have recently shown that the football-shaped complex coexists with the bullet-shaped complex during the reaction cycle. However, how protein folding proceeds in the football-shaped complex remains poorly understood. Here, we used GFP as a substrate to visualize protein folding in the football-shaped complex by single-molecule fluorescence techniques. We directly showed that GFP folding occurs in both rings of the football-shaped complex. Remarkably, the folding was a sequential two-step reaction, and the kinetics were in excellent agreement with those in the bullet-shaped complex. These results demonstrate that the same reactions take place independently in both rings of the football-shaped complex to facilitate protein folding. PMID:23048033

  8. Laser-field-free orientation of state-selected asymmetric top molecules

    NASA Astrophysics Data System (ADS)

    Mun, Je Hoi; Takei, Daisuke; Minemoto, Shinichirou; Sakai, Hirofumi

    2014-05-01

    With combined electrostatic and shaped laser fields with a slow turn on and rapid turn off, laser-field-free orientation of asymmetric top iodobenzene molecules with higher degrees of orientation has been achieved. In order to further increase the degrees of orientation, state-selected molecules are used as a sample. It is confirmed that higher degrees of orientation are maintained in the laser-field-free condition for 5-10 ps, which is long enough to study femtosecond-attosecond dynamics in molecules, after the rapid turn off of the laser pulse. The observation of the slow dephasing time of 5-10 ps ensures future prospects in molecular orientation techniques. This accomplishment means not only that a unique molecular sample has become available in various applications but also that the present technique can be used as a spectroscopic technique to investigate ultrafast rotational dynamics of molecules.

  9. Analysis of the Microwave Spectrum of the Three-Top Molecule Trimethoxylmethane

    NASA Astrophysics Data System (ADS)

    Coudert, L. H.; Feng, G.; Caminati, W.

    2013-06-01

    Although many investigations about the spectrum of molecules displaying internal rotation of one or two methyl tops have been reported, there are much fewer results about the spectrum of molecules with three methyl tops. In this paper, we will deal with the microwave spectrum of trimethoxylmethane, HC(OCH_3)_3, a molecule displaying three conformers of quite different symmetry which all exhibit internal rotation of their three methyl tops. In a first step, a theoretical approach dedicated to the calculation of the rotation-torsion energy levels of a molecule with three inequivalent tops was developed. The model is based on a DVR approach; it accounts accurately for the rotation-torsion Coriolis couplings due to the torsion of each methyl top and leads to matrices which are smaller than those arising with the usual free internal rotation functions. The theoretical approach shows that internal rotation of the three tops leads to 27 tunneling sublevels, including 13 doubly degenerate ones. The statistical weights of the sublevels are 2^4, 2^5, and 2^6. The microwave spectrum of trimethoxylmethane has been recorded from to 10 to 19 GHz with the molecular beam Fourier transform spectrometer of the University of Bologna. The spectra of the TMM1, TMM2, and TMM3 conformers with C_1, C_3, and C_s symmetry, respectively, have been observed. The theoretical model has been applied to the lowest lying TMM1 conformer since it is the only one with three inequivalent methyl tops. The parameters describing the rotational energy and the rotation-torsion Coriolis couplings were obtained from the geometry of the conformer and those corresponding to height of the barriers hindering the internal rotations were retrieved through ab initio calculations. Calculated tunneling patterns were compared to experimental ones. As far as the number of tunneling components is concerned, there is a qualitative agreement between experiment and theory. However, the present calculation seems to underestimate the various tunneling splittings and this probably due to the fact that the barrier heights obtained through ab initio calculations are too high. Light and Ba?i?, J. Chem. Phys. 87 (1987) 4008.

  10. Identification and in silico characterisation of defective molecules associated with isolates of banana bunchy top virus.

    PubMed

    Stainton, Daisy; Martin, Darren P; Collings, David A; Thomas, John E; Varsani, Arvind

    2016-04-01

    Banana bunchy top virus (BBTV) is a multi-component single-stranded DNA virus. From 267 potentially infected Musa plants, 24 apparently 'defective' BBTV components have been identified. Interestingly, 23/24 of these defective molecules were apparently derived from DNA-R. All of the identified defective molecules had retained at least part of the CR-SL and CR-M but had insertions and/or deletions that in most cases resulted in open reading frame disruptions. Our detection of three monophyletic but diverse (and therefore likely circulating) defective DNA-R lineages suggests that, in many cases, defective DNA-R molecules might remain associated with BBTV genomes for prolonged periods. PMID:26733296

  11. Symmetric bi-pyridyl banana-shaped molecule and its intermolecular hydrogen bonding liquid-crystalline complexes

    NASA Astrophysics Data System (ADS)

    Sui, Dan; Hou, Qiufei; Chai, Jia; Ye, Ling; Zhao, Liyan; Li, Min; Jiang, Shimei

    2008-11-01

    A new symmetric bi-pyridyl banana-shaped molecule 1,3-phenylene diisonicotinate (PDI) was designed and synthesized. Its molecular structure was confirmed by FTIR, Elemental analysis and 1H NMR. X-ray crystallographic study reveals that there is an angle of approximate 118 among the centroids of the three rings (pyridyl-phenyl-pyridyl) in each PDI molecule indicating a desired banana shape. In addition, a series of liquid crystal complexes nBA:PDI:nBA induced by intermolecular hydrogen bonding between PDI (proton acceptor) and 4-alkoxybenzoic acids (nBA, proton donor) were synthesized and characterized. The mesomorphism properties and optical textures of the complex of nBA:PDI:nBA were investigated by differential scanning calorimetry, polarizing optical microscope and X-ray diffraction.

  12. Perturber and Temperature Dependence of Collision - Light Scattering for Spherical Top Molecules.

    NASA Astrophysics Data System (ADS)

    El-Sheikh, Salah Mohamed

    Collision-induced light scattering (CILS) refers to the Rayleigh and Raman spectral features forbidden by the symmetry of a free molecule, but which appear in the scattering from dense media through molecular interactions. In order to avoid complications from allowed rotational Raman lines, molecules of high symmetry (spherical top) were chosen for the present study. The two- and three-body (CILS) spectra of both pure octahedral molecules (SF_6), and tetrahedral molecules (CF_4) at 295 K have been determined experimentally. As well, the two-body spectra of these systems perturbed by inert gases have been measured. Classical line shape calculations were performed for the free-free interactions (translational spectrum), and a model was used to calculate the effects of bound dimers. Comparison between the two-body experimental and theoretical spectra showed a very good agreement at low frequency shifts where the collision-induced rotational Raman scattering has a negligible effect. This agreement was best in the cases of SF_6 mixtures with inert gases because of the availability of good intermolecular potentials. At higher frequency shifts, higher order polarizabilities played a role, the dipole-octopole polarizability E in the case of octahedral molecules, and both the dipole-quadrupole A and the dipole-octopole E polarizabilities in the case of tetrahedral molecules. The intensity and the shape of the rotational spectra were accounted for well by theory. The values of the polarizabilities found were E = 10.7 +/- 2.5 A^5 for SF _6, and A = 2.5 +/- 0.3 A^4, E = 2.5 +/- 0.3 A^5 for CF_4 . The CILS spectrum of SF_6 -Xe, together with both the values of the diffusion coefficient and the second virial coefficient, were used in developing a new M2SV intermolecular potential for SF_6 -Xe. A temperature study of the CILS of CH _4 was performed in the range 130-295 K. The model for the pair polarizability anisotropy with no adjustable parameters still holds at lower temperatures. Calculations for both the induced translational and rotational scattering worked well over this wide temperature range. Values of the dipole-quadrupole polarizability A of 0.88 +/- 0.03 A^4 and the dipole-octopole polarizability E of 2.5 +/- 0.26 A^5 were found.

  13. Computational studies of x-ray scattering from three-dimensionally-aligned asymmetric-top molecules.

    SciTech Connect

    Pabst, S.; Ho, P.; Santra, R.

    2010-01-01

    We theoretically and numerically analyze x-ray scattering from asymmetric-top molecules three-dimensionally aligned using elliptically polarized laser light. A rigid-rotor model is assumed. The principal axes of the polarizability tensor are assumed to coincide with the principal axes of the moment of inertia tensor. Several symmetries in the Hamiltonian are identified and exploited to enhance the efficiency of solving the time-dependent Schroedinger equation for each rotational state initially populated in a thermal ensemble. Using a phase-retrieval algorithm, the feasibility of structure reconstruction from a quasiadiabatically aligned sample is illustrated for the organic molecule naphthalene. The spatial resolution achievable strongly depends on the laser parameters, the initial rotational temperature, and the x-ray pulse duration. We demonstrate that for a laser peak intensity of 5 TW/cm{sup 2}, a laser pulse duration of 100 ps, a rotational temperature of 10 mK, and an x-ray pulse duration of 1 ps, the molecular structure may be probed at a resolution of 1 {angstrom}.

  14. Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules.

    PubMed

    Wu, Kai; Li, Kang; Hou, Ya-Jun; Pan, Mei; Zhang, Lu-Yin; Chen, Ling; Su, Cheng-Yong

    2016-01-01

    Absolute chiral environments are rare in regular polyhedral and prismatic architectures, but are achievable from self-assembly of metal-organic cages/containers (MOCs), which endow us with a promising ability to imitate natural organization systems to accomplish stereochemical recognition, catalysis and separation. Here we report a general assembly approach to homochiral MOCs with robust chemical viability suitable for various practical applications. A stepwise process for assembly of enantiopure ΔΔΔΔΔΔΔΔ- and ΛΛΛΛΛΛΛΛ-Pd6(RuL3)8 MOCs is accomplished by pre-resolution of the Δ/Λ-Ru-metalloligand precursors. The obtained Pd-Ru bimetallic MOCs feature in large D4-symmetric chiral space imposed by the predetermined Ru(II)-octahedral stereoconfigurations, which are substitutionally inert, stable, water-soluble and are capable of encapsulating a dozen guests per cage. Chiral resolution tests reveal diverse host-guest stereoselectivity towards different chiral molecules, which demonstrate enantioseparation ability for atropisomeric compounds with C2 symmetry. NMR studies indicate a distinctive resolution process depending on guest exchange dynamics, which is differentiable between host-guest diastereomers. PMID:26839048

  15. Homochiral D4-symmetric metal–organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules

    PubMed Central

    Wu, Kai; Li, Kang; Hou, Ya-Jun; Pan, Mei; Zhang, Lu-Yin; Chen, Ling; Su, Cheng-Yong

    2016-01-01

    Absolute chiral environments are rare in regular polyhedral and prismatic architectures, but are achievable from self-assembly of metal–organic cages/containers (MOCs), which endow us with a promising ability to imitate natural organization systems to accomplish stereochemical recognition, catalysis and separation. Here we report a general assembly approach to homochiral MOCs with robust chemical viability suitable for various practical applications. A stepwise process for assembly of enantiopure ΔΔΔΔΔΔΔΔ- and ΛΛΛΛΛΛΛΛ-Pd6(RuL3)8 MOCs is accomplished by pre-resolution of the Δ/Λ-Ru-metalloligand precursors. The obtained Pd–Ru bimetallic MOCs feature in large D4-symmetric chiral space imposed by the predetermined Ru(II)-octahedral stereoconfigurations, which are substitutionally inert, stable, water-soluble and are capable of encapsulating a dozen guests per cage. Chiral resolution tests reveal diverse host–guest stereoselectivity towards different chiral molecules, which demonstrate enantioseparation ability for atropisomeric compounds with C2 symmetry. NMR studies indicate a distinctive resolution process depending on guest exchange dynamics, which is differentiable between host–guest diastereomers. PMID:26839048

  16. A missing link in the transformation from asymmetric to symmetric metallofullerene cages implies a top-down fullerene formation mechanism

    NASA Astrophysics Data System (ADS)

    Zhang, Jianyuan; Bowles, Faye L.; Bearden, Daniel W.; Ray, W. Keith; Fuhrer, Tim; Ye, Youqing; Dixon, Caitlyn; Harich, Kim; Helm, Richard F.; Olmstead, Marilyn M.; Balch, Alan L.; Dorn, Harry C.

    2013-10-01

    Although fullerenes were discovered nearly three decades ago, the mechanism of their formation remains a mystery. Many versions of the classic bottom-up formation mechanism have been advanced, starting with C2 units that build up to form chains and rings of carbon atoms and ultimately form those well-known isolated fullerenes (for example, Ih-C60). In recent years, evidence from laboratory and interstellar observations has emerged to suggest a top-down mechanism, whereby small isolated fullerenes are formed via shrinkage of giant fullerenes generated from graphene sheets. Here, we present molecular structural evidence for this top-down mechanism based on metal carbide metallofullerenes M2C2@C1(51383)-C84 (M = Y, Gd). We propose that the unique asymmetric C1(51383)-C84 cage with destabilizing fused pentagons is a preserved missing link in the top-down mechanism, and in well-established rearrangement steps can form many well-known, high-symmetry fullerene structures that account for the majority of solvent-extractable metallofullerenes.

  17. Extension of the measurement, assignment, and fit of the rotational spectrum of the two-top molecule methyl acetate

    NASA Astrophysics Data System (ADS)

    Nguyen, Ha Vinh Lam; Kleiner, Isabelle; Shipman, Steven T.; Mae, Yoshiaki; Hirose, Kazue; Hatanaka, Shota; Kobayashi, Kaori

    2014-05-01

    New and previous spectroscopic data were recorded for the two-top molecule methyl acetate using five spectrometers in four different labs: a room temperature chirped-pulse Fourier transform microwave (FTMW) spectrometer in the frequency range from 8.7 to 26.5 GHz, two molecular beam FTMW spectrometers (2-40 GHz), a free jet absorption Stark-modulated spectrometer (60-78 GHz), and a room temperature millimeter-wave spectrometer (44-68 GHz). Approximately 800 new lines with J up to 40 and K up to 16 were assigned. In total, 1603 lines were fitted with 34 parameters using an internal rotation Hamiltonian in the Rho Axis Method (RAM) and the program BELGI-Cs-2tops to standard deviations close to the experimental uncertainties. More precise determinations of the top-top interaction and the J, K dependent parameters were carried out.

  18. Molecular assembly of highly symmetric molecules under a hydrogen bond framework controlled by alkyl building blocks: a simple approach to fine-tune nanoscale structures.

    PubMed

    Tanphibal, Pimsai; Tashiro, Kohji; Chirachanchai, Suwabun

    2015-12-23

    To date, molecular assemblies under the contribution of hydrogen bond in combination with weak interactions and their consequent morphologies have been variously reported; however, how the systematic variation of the structure can fine-tune the morphologies has not yet been answered. The present work finds an answer through highly symmetric molecules, i.e. diamine-based benzoxazine dimers. This type of molecule develops unique molecular assemblies with their networks formed by hydrogen bonds at the terminal, while, at the same time, their hydrogen bonded frameworks are further controlled by the hydrophobic segment at the center of the molecule. When this happens, slight differences in hydrophobic alkyl chain lengths (, , and ) bring a significant change to the molecular assemblies, thus resulting in tunable morphologies, i.e. spheres, needles and dendrites. The superimposition between the crystal lattice obtained from X-ray single crystal analysis and the electron diffraction pattern obtained from transmission electron microscopy allows us to identify the molecular alignment from single molecules to self-assembly until the morphologies developed. The present work, for the first time, shows the case of symmetric molecules, where the hydrophobic building block controls the hydrogen bond patterns, leading to the variation of molecular assemblies with tunable morphologies. PMID:26482133

  19. Ionization of one- and three-dimensionally-oriented asymmetric-top molecules by intense circularly polarized femtosecond laser pulses

    SciTech Connect

    Hansen, Jonas L.; Holmegaard, Lotte; Kalhoej, Line; Kragh, Sofie Louise; Stapelfeldt, Henrik; Filsinger, Frank; Meijer, Gerard; Kuepper, Jochen; Dimitrovski, Darko; Abu-samha, Mahmoud; Martiny, Christian Per Juul; Madsen, Lars Bojer

    2011-02-15

    We present a combined experimental and theoretical study on strong-field ionization of a three-dimensionally-oriented asymmetric top molecule, benzonitrile (C{sub 7}H{sub 5}N), by circularly polarized, nonresonant femtosecond laser pulses. Prior to the interaction with the strong field, the molecules are quantum-state selected using a deflector and three-dimensionally (3D) aligned and oriented adiabatically using an elliptically polarized laser pulse in combination with a static electric field. A characteristic splitting in the molecular frame photoelectron momentum distribution reveals the position of the nodal planes of the molecular orbitals from which ionization occurs. The experimental results are supported by a theoretical tunneling model that includes and quantifies the splitting in the momentum distribution. The focus of the present article is to understand strong-field ionization from 3D-oriented asymmetric top molecules, in particular the suppression of electron emission in nodal planes of molecular orbitals. In the preceding article [Dimitrovski et al., Phys. Rev. A 83, 023405 (2011)] the focus is to understand the strong-field ionization of one-dimensionally-oriented polar molecules, in particular asymmetries in the emission direction of the photoelectrons.

  20. Abnormal difference between the mobilities of left- and right-twisted conformations of C6H12N2 roto-symmetrical molecules at very low temperatures.

    PubMed

    Gabuda, S P; Kozlova, S G

    2015-06-21

    We report an abnormal difference of low-temperature mobility of left-twisted and right-twisted conformations of roto symmetric molecules C6H12N2 (dabco) located in the same positions in crystal Zn2(C8H4O4)2⋅C6H12N2. The difference between (1)H NMR (Nuclear Magnetic Resonance) spin-relaxation data for left-twisted and right-twisted molecules reaches ∼3 × 10(3) times at 8 K and tends to grow at lower temperatures. We argue that taking into account four-component relativistic Dirac wave functions in the vicinity of the nodal plane of dabco molecules and vacuum fluctuations due to virtual particle-antiparticle pairs can explain the changes which C6H12N2 conformations undergo at low temperatures. PMID:26093554

  1. Generalized Vibrational Perturbation Theory for Rotovibrational Energies of Linear, Symmetric and Asymmetric Tops: Theory, Approximations, and Automated Approaches to Deal with Medium-to-Large Molecular Systems

    PubMed Central

    Piccardo, Matteo; Bloino, Julien; Barone, Vincenzo

    2015-01-01

    Models going beyond the rigid-rotor and the harmonic oscillator levels are mandatory for providing accurate theoretical predictions for several spectroscopic properties. Different strategies have been devised for this purpose. Among them, the treatment by perturbation theory of the molecular Hamiltonian after its expansion in power series of products of vibrational and rotational operators, also referred to as vibrational perturbation theory (VPT), is particularly appealing for its computational efficiency to treat medium-to-large systems. Moreover, generalized (GVPT) strategies combining the use of perturbative and variational formalisms can be adopted to further improve the accuracy of the results, with the first approach used for weakly coupled terms, and the second one to handle tightly coupled ones. In this context, the GVPT formulation for asymmetric, symmetric, and linear tops is revisited and fully generalized to both minima and first-order saddle points of the molecular potential energy surface. The computational strategies and approximations that can be adopted in dealing with GVPT computations are pointed out, with a particular attention devoted to the treatment of symmetry and degeneracies. A number of tests and applications are discussed, to show the possibilities of the developments, as regards both the variety of treatable systems and eligible methods. © 2015 Wiley Periodicals, Inc. PMID:26345131

  2. Enhancement of three-photon absorption cross-sections in a novel class of symmetrical charge transfer fluorene-based molecules

    NASA Astrophysics Data System (ADS)

    Ma, Wenbo; Wu, Yiqun; Han, Junhe; Gu, Donghong; Gan, Fuxi

    2005-07-01

    The three-photon absorption effect (3PA) of two novel symmetrical charge transfer fluorene-based molecules (abbreviated as BASF and BMOSF) has been determined by using a Q-switched Nd:YAG laser pumped with 38 ps pulses at 1064 nm in DMF. The measured 3PA cross-sections are 84 10 -78 and 114 10 -78 cm 6 s 2, respectively. The geometries and electronic excitations of these two molecules are systematically studied by PM3 and ZINDO/S methods. The relationships between 3PA cross-sections and intramolecular charge transfer are discussed micromechanically. The experimental and theoretical results have shown that the larger intramolecular charge transfer, which was characterized by the charge density difference between the ground state (S 0) and the first excited state (S 1), the greater enhancement of the 3PA cross-sections.

  3. Analysis of electron diffraction data for several symmetric coordinates of large-amplitude motions in the case of the 1,3,5-trinitrobenzene molecule

    NASA Astrophysics Data System (ADS)

    Khaikin, L. S.; Kochikov, I. V.; Tikhonov, D. S.; Grikina, O. E.

    2015-06-01

    A brief description of a solution of the problem on electron diffraction analysis using the potential procedure for nonrigid molecules with large-amplitude motions along several symmetric internal coordinates was given. The efficiency of the approach was demonstrated for determination of the equilibrium geometry of the 1,3,5-trinitrobenzene molecule with three equivalent internal rotation coordinates of NO2 groups. The results of the electron diffraction experiment and quantum-chemical calculation at the MP2( full)/ cc-pVTZ level were considered along with the vibrational spectra of 1,3,5-trinitrobenzene and a planar equilibrium D 3 h symmetry conformation for the molecule was found reliably for the first time. The geometrical parameters of the molecule were determined ( r e , the bond lengths are given in , the angles in deg): CC 1.387(2), CN 1.474(4), NO 1.220(1), CH 1.072(31), ONO 125.8(2), CC(H)C 116.6(3), HCC* 121.7(1), CC(N)C* 123.4(3), NCC* 118.3(1), and CNO* 117.1(1); the asterisk marks the dependent parameters.

  4. Electrostatic hexapole state-selection of the asymmetric-top molecule propylene oxide: Rotational and orientational distributions

    NASA Astrophysics Data System (ADS)

    Che, Dock-Chil; Kanda, Keita; Palazzetti, Federico; Aquilanti, Vincenzo; Kasai, Toshio

    2012-05-01

    This theoretical study is complementary to previous experimental work (see D.-C. Che, F. Palazzetti, Y. Okuno, V. Aquilanti, T. Kasai, J. Phys. Chem. A 114 (2010) 3280) on the orientation and rotational state-selection of supersonic molecular beams of the asymmetric-top molecule propylene oxide, both pure and seeded (in He and in Ar) by using an 85-cm length hexapole state-selector. One objective is to obtain an accurate distribution of the rotational states after hexapole selection for the three molecular beams, the most relevant feature consisting in the evaluation of the variation in energy of the manifold of rotational states when an electric field is applied (the Stark forces). Previously, the Stark effect on the effective dipole moment was considered through second order for all rotational states, while in this work the energy derivatives of the rotational states with respect to the applied electric field, are obtained accurately by diagonalizing the very large Stark matrices, whose elements depend on the dipole moment components of the molecule. The Stark energies and the corresponding forces were calculated for values of the electric field between 0 and 80 kV cm-1 in steps of 0.5 kV cm-1 and then linearly interpolated, covering the whole experimental range of the hexapole. A treatment is given for the intricate pattern of avoided crossings among derivatives of the rotational levels and two limiting cases were considered, corresponding to transitions occurring either adiabatically or diabatically. The two treatments lead to slightly different distributions of the rotational states for the pure and Ar seeded molecular beams, while for the He seeded molecular beam the two distributions are substantially the same. This experimental arrangement is a perspective tool for experiments of photochemistry and scattering of oriented molecules and clusters, and therefore we calculated the orientational distributions in a configuration where a uniform electric field is placed between the hexapole field and the detector.

  5. A new graphical version of STROTAB: The analysis and fitting of singlet triplet spectra of asymmetric top molecules in the prolate or oblate limits

    NASA Astrophysics Data System (ADS)

    Kodet, John; Judge, Richard H.

    2007-05-01

    The original version of STROTAB has been modified to run under Microsoft Windows using the C++ programming language. The new version takes full advantage of the Microsoft Foundation Classes available within the Microsoft Visual C++ Version 6 development environment. Specifically, windows can be created that edit the input file, summarize the results of the least-squares fit, display the calculated and observed spectra, display whole or partial sections of the calculated spectra as a stick or Gaussian de-convoluted spectrum. A listing of the rotational quantum numbers in the cases (a) and (b) limits for each of the displayed lines is provided. A branch annotating routine provides a quick visual guide to the assignment of the spectrum. A new eigenvalue sorting method has been added as an option that complements the existing method based on the eigenvector coefficients. The new sorting method has eliminated some difficulties that may arise using the existing "Least Ambiguous Method". The program has been extended to handle near-oblate asymmetric tops using a type III r representation. New version summaryTitle of program: STROTAB Version number: 2 Catalogue identifier:ADCA_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADCA_v2_0 Program obtainable from:CPC Program Library, Queen's University of Belfast, N. Ireland Reference in CPC to previous version: 93 (1996) 241-264 Catalog identifier of previous version: ADCA Authors of previous version: R.H. Judge, E.D. Womeldorf, R.A. Morris, D.E. Shimp, D.J. Clouthier, D.L. Joo, D.C. Moule Does the new version supersede the original program: Yes Computers for which the program is designed and others on which it has been tested: Pentium Xenon, Pentium Pro and Later Operating systems or monitors under which program has been tested: Windows 98, Windows 2000, Windows XP Programming language used in the new version: ANSI C, C++, Microsoft Foundation Class (MFC) No. of lines in distributed program, including test data, etc.:11 913 No. of bytes in distributed program, including test data, etc.: 2 816 652 Memory required to execute with typical data: 7 Meg No of bits in a word: 16 No of processors used: 1 Has the code been vectorized or parallelized?: No No. of bytes in distributed program, including test data, etc.: ˜3.2 MB (compressed) Distribution format: zip file Additional keywords:near oblate top, bootstrap eigenvalue sorting, graphical environment, band contour Nature of physical problem: The least-squares/band contour fitting of the singlet-triplet spectra of asymmetric tops of orthorhombic symmetry using a basis set appropriate to the symmetric top limit (prolate or oblate) of the molecule in either Hund's case (a) or case (b) coupling situations. Method of solution: The calculation of the eigenvectors and eigenvalues remains unchanged from the earlier version. An option to sort the eigenvalues of the current J by fitting them to regular progressions formed from earlier J values (bootstrap method) can be used as an option in place of the existing method based on eigenvector coefficients. Reasons for the new version: The earlier version can only handle oblate tops by diagonalizing using the prolate limit. This has turned out to be unacceptable. An improved method of sorting eigenvalues under certain conditions is also needed. A graphical interface has been added to ease the use of the program. Summary of revisions: The Hamiltonian can now be constructed in a limit appropriate the representation for of the molecule. Sorting by an alternate method is now offered. Numerous graphical features have been added. Restrictions on complexity of the problem: The rotational quantum number restrictions are J⩽255 and K (or P) ⩽127. The allowed transition frequency minus the band origin frequency must be in the range of ±10 000 cm -1. Up to five decimal places may be reported. The number of observed lines is limited by the dynamic memory and the amount of disk space available. Only molecules of symmetry D 2h, D 2 and C 2v can be accommodated in this version. Only constants of the excited triplet state may be varied.

  6. Enhanced ionization of the non-symmetric HeH{sup +} molecule driven by intense ultrashort laser pulses

    SciTech Connect

    Dehghanian, E.; Bandrauk, A. D.; Lagmago Kamta, G.

    2013-08-28

    We study enhanced single and double ionizations and enhanced single and double excitations in the nonsymmetric two-electron diatomic molecular ion HeH{sup +} in an intense ultrashort laser pulse linearly polarized along the internuclear axis (z axis). We solve a three-dimensional time-dependent Schrödinger equation, TDSE, via correlated two-electron ab initio calculations within the fixed-nuclei approximation. A complex scaling method is used for calculation of both single and double ionizations. These nonperturbative processes increase with large internuclear distance R and reach a maximum at some critical distance R{sub c} and decrease by further increase of R. This enhanced ionization (EI) at R{sub c} is accompanied by enhanced single and double excitation processes. Furthermore, EI is stronger when the permanent dipole moment of the molecule and the electric field at the peak of the laser pulse are antiparallel than when they are parallel. We predict analytically the R{sub c} at which the enhancement of all these molecular processes happens in HeH{sup +} from a simple quasistatic model and investigate the effect of Carrier Envelope Phase on these nonlinear nonperturbative processes.

  7. Trinitrotoluene explosive lights up ultrahigh Raman scattering of nonresonant molecule on a top-closed silver nanotube array.

    PubMed

    Zhou, Haibo; Zhang, Zhongping; Jiang, Changlong; Guan, Guijian; Zhang, Kui; Mei, Qingsong; Liu, Renyong; Wang, Suhua

    2011-09-15

    The highest Raman enhancement factors are obtained in a double resonance: molecular electronic resonance and plasmon resonance with a "hot spot" in surface-enhanced Raman scattering (SERS). However, for most molecules of interest the double resonance is not realized with the excitation frequencies normally used in Raman. The latter may limit the practical applications of SERS for trace analysis. Here, we report that Raman-inactive trinitrotoluene (TNT) lights up the ultrahigh Raman scattering of off-resonated p-aminobenzenethiol (PABT) through the formation of charge-transfer TNT-PABT complex on the top-closed flexible silver nanotube array. Raman hot spots can spontaneously form in a reversible way by the self-approaching of flexible nanotubes driven through the capillary force of solvent evaporation. Meanwhile, the PABT-TNT-PABT bridges between self-approaching silver nanotubes possibly form by the specific complexing and zwitterion interactions, and the resultant chromophores can absorb the visible light that matches with the incident laser and the localized surface plasmon of a silver nanotube array. The multiple spectral resonances lead to the huge enhancement of Raman signals of PABT molecules due to the presence of ultratrace TNT. The enhancement effect is repeatedly renewable by the reconstruction of molecular bridges and can selectively detect TNT with a limit of 1.5 10(-17) M. The results in this report provide the simple and supersensitive approach to the detection of TNT explosives and the possibility of building a robust Raman-based assay platform. PMID:21853974

  8. Effects on Calculated Half-Widths and Shifts from the Line Coupling for Asymmetric-Top Molecules

    NASA Technical Reports Server (NTRS)

    Ma, Q.; Boulet, C.; Tipping, R. H.

    2014-01-01

    The refinement of the Robert-Bonamy formalism by considering the line coupling for linear molecules developed in our previous studies [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013); 140, 104304 (2014)] have been extended to asymmetric-top molecules. For H2O immersed in N2 bath, the line coupling selection rules applicable for the pure rotational band to determine whether two specified lines are coupled or not are established. Meanwhile, because the coupling strengths are determined by relative importance of off-diagonal matrix elements versus diagonal elements of the operator -iS1 -S2, quantitative tools are developed with which one is able to remove weakly coupled lines from consideration. By applying these tools, we have found that within reasonable tolerances, most of the H2O lines in the pure rotational band are not coupled. This reflects the fact that differences of energy levels of the H2O states are pretty large. But, there are several dozen strongly coupled lines and they can be categorized into different groups such that the line couplings occur only within the same groups. In practice, to identify those strongly coupled lines and to confine them into sub-linespaces are crucial steps in considering the line coupling. We have calculated half-widths and shifts for some groups, including the line coupling. Based on these calculations, one can conclude that for most of the H2O lines, it is unnecessary to consider the line coupling. However, for several dozens of lines, effects on the calculated half-widths from the line coupling are small, but remain noticeable and reductions of calculated half-widths due to including the line coupling could reach to 5%. Meanwhile, effects on the calculated shifts are very significant and variations of calculated shifts could be as large as 25%.

  9. Effects on calculated half-widths and shifts from the line coupling for asymmetric-top molecules

    SciTech Connect

    Ma, Q.; Tipping, R. H.

    2014-06-28

    The refinement of the Robert-Bonamy formalism by considering the line coupling for linear molecules developed in our previous studies [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013); 140, 104304 (2014)] have been extended to asymmetric-top molecules. For H{sub 2}O immersed in N{sub 2} bath, the line coupling selection rules applicable for the pure rotational band to determine whether two specified lines are coupled or not are established. Meanwhile, because the coupling strengths are determined by relative importance of off-diagonal matrix elements versus diagonal elements of the operator ?iS{sub 1} ? S{sub 2}, quantitative tools are developed with which one is able to remove weakly coupled lines from consideration. By applying these tools, we have found that within reasonable tolerances, most of the H{sub 2}O lines in the pure rotational band are not coupled. This reflects the fact that differences of energy levels of the H{sub 2}O states are pretty large. But, there are several dozen strongly coupled lines and they can be categorized into different groups such that the line couplings occur only within the same groups. In practice, to identify those strongly coupled lines and to confine them into sub-linespaces are crucial steps in considering the line coupling. We have calculated half-widths and shifts for some groups, including the line coupling. Based on these calculations, one can conclude that for most of the H{sub 2}O lines, it is unnecessary to consider the line coupling. However, for several dozens of lines, effects on the calculated half-widths from the line coupling are small, but remain noticeable and reductions of calculated half-widths due to including the line coupling could reach to 5%. Meanwhile, effects on the calculated shifts are very significant and variations of calculated shifts could be as large as 25%.

  10. Using fixed-node diffusion Monte Carlo to investigate the effects of rotation-vibration coupling in highly fluxional asymmetric top molecules: application to H2D+.

    PubMed

    Petit, Andrew S; Wellen, Bethany A; McCoy, Anne B

    2013-01-21

    A fixed-node diffusion Monte Carlo approach for obtaining the energies and wave functions of the rotationally excited states of asymmetric top molecules that undergo large amplitude, zero-point vibrational motions is reported. The nodal surfaces required to introduce rotational excitation into the diffusion Monte Carlo calculations are obtained from the roots of the asymmetric top rigid rotor wave functions calculated using the system's zero-point, vibrationally averaged rotational constants. Using H(2)D(+) as a model system, the overall accuracy of the methodology is tested by comparing to the results of converged variational calculations. The ability of the fixed-node diffusion Monte Carlo approach to provide insights into the nature and strength of the rotation-vibration coupling present in the rotationally excited states of highly fluxional asymmetric tops is discussed. Finally, the sensitivity of the methodology to the details of its implementation, such as the choice of embedding scheme, is explored. PMID:23343266

  11. Organometallic complexes of bulky, optically active, C3-symmetric tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)

    DOE PAGESBeta

    Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.

    2015-07-16

    A bulky, optically active monoanionic scorpionate ligand, tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*), is synthesized from the naturally occurring amino acid l-valine as its lithium salt, Li[ToP*] (1). That compound is readily converted to the thallium complex Tl[ToP*] (2) and to the acid derivative H[ToP*] (3). Group 7 tricarbonyl complexes ToP*M(CO)3 (M = Mn (4), Re (5)) are synthesized by the reaction of MBr(CO)5 and Li[ToP*] and are crystallographically characterized. The νCO bands in their infrared spectra indicate that π back-donation in the rhenium compounds is greater with ToP* than with non-methylated tris(4S-isopropyl-2-oxazolinyl)phenylborate (ToP). The reaction of H[ToP*] and ZnEt2 gives ToP*ZnEt (6), whilemore » ToP*ZnCl (7) is synthesized from Li[ToP*] and ZnCl2. The reaction of ToP*ZnCl and KOtBu followed by addition of PhSiH3 provides the zinc hydride complex ToP*ZnH (8). In this study, compound 8 is the first example of a crystallographically characterized optically active zinc hydride. We tested its catalytic reactivity in the cross-dehydrocoupling of silanes and alcohols, which provided Si-chiral silanes with moderate enantioselectivity.« less

  12. A spray-coating process for highly conductive silver nanowire networks as the transparent top-electrode for small molecule organic photovoltaics.

    PubMed

    Selzer, Franz; Weiss, Nelli; Kneppe, David; Bormann, Ludwig; Sachse, Christoph; Gaponik, Nikolai; Eychmller, Alexander; Leo, Karl; Mller-Meskamp, Lars

    2015-02-14

    We present a novel top-electrode spray-coating process for the solution-based deposition of silver nanowires (AgNWs) onto vacuum-processed small molecule organic electronic solar cells. The process is compatible with organic light emitting diodes (OLEDs) and organic light emitting thin film transistors (OLETs) as well. By modifying commonly synthesized AgNWs with a perfluorinated methacrylate, we are able to disperse these wires in a highly fluorinated solvent. This solvent does not dissolve most organic materials, enabling a top spray-coating process for sensitive small molecule and polymer-based devices. The optimized preparation of the novel AgNW dispersion and spray-coating at only 30 C leads to high performance electrodes directly after the deposition, exhibiting a sheet resistance of 10.0 ? ?(-1) at 87.4% transparency (80.0% with substrate). By spraying our novel AgNW dispersion in air onto the vacuum-processed organic p-i-n type solar cells, we obtain working solar cells with a power conversion efficiency (PCE) of 1.23%, compared to the air exposed reference devices employing thermally evaporated thin metal layers as the top-electrode. PMID:25584968

  13. Features of the Interaction of Hydroxyl and Methyl Tops in the Ethanol Molecule: 2D-Calculation of the Torsion Energy Levels

    NASA Astrophysics Data System (ADS)

    Pitsevich, G. A.; Malevich, A. E.

    2015-09-01

    Geometric parameters and vibrational spectra of the trans- and gauche-conformers of the ethanol molecule were calculated using the B3LYP/cc-pVQZ and B3LYP/acc-pVQZ approximations. 2D potential energy surfaces for internal rotation of the hydroxyl and methyl tops were built. Kinetic parameters associated with torsion coordinates were calculated using Wilson's s vectors at the same 2D grid nodes at which the potential energy values were found. Features of the kinematic and force interaction of the two tops were analyzed. Energies of torsion levels and frequencies of torsional vibrations of CH 3 and OH groups were calculated. Good agreement between the calculated (199.8 cm -1 ) and experimental (202.6 cm -1 ) values for the fundamental frequency of OH torsional vibrations was achieved. Essential differences in the corresponding values for the fundamental torsional vibrations of CH 3 groups were analyzed.

  14. Polymer-facilitated low temperature fusing of spray-coated silver nanowire networks as transparent top and bottom electrodes in small molecule organic photovoltaics (Presentation Recording)

    NASA Astrophysics Data System (ADS)

    Selzer, Franz; Weiß, Nelli; Kneppe, David; Bormann, Ludwig; Sachse, Christoph; Gaponik, Nikolai; Eychmüller, Alexander; Leo, Karl; Müller-Meskamp, Lars

    2015-10-01

    Networks of silver nanowires (AgNWs) are promising candidates for transparent conducting electrodes in organic photovoltaics (OPV), as they achieve similar performance as the commonly used indium tin oxide (ITO) at lower cost and increased flexibility. The initial sheet resistance (Rs) of AgNW electrodes typically needs to be reduced by a post-annealing step (90 min@200 °C), being detrimental for processing on polymeric substrates. We present novel low temperature-based methods to integrate AgNWs in organic small molecule-based photovoltaics, either as transparent and highly conductive bottom-electrode or, for the first time, as spray-coated AgNW top-electrode. The bottom-electrodes are prepared by organic matrix assisted low-temperature fusing. Here, selected polymers are coated below the AgNWs to increase the interaction between NWs and substrate. In comparison to networks without these polymeric sublayers, the Rs is reduced by two orders of magnitude. AgNW top-electrodes are realized by dispersing modified high-quality AgNWs in inert solvents, which do not damage small molecule layers. Accordingly, our AgNW dispersion can be spray-coated onto all kind of OPV devices. Both bottom- and top-electrodes show a Rs of <11 Ω/ at >87 % transparency directly after spray-coating at very low substrate temperatures of <80 °C. We also demonstrate the implementation of our AgNW electrodes in organic solar cells. The corresponding devices show almost identical performance compared to organic solar cells exploiting ITO as bottom or thermally evaporated thin-metal as top-electrode.

  15. Rotational spectroscopy as a tool to investigate interactions between vibrational polyads in symmetric top molecules: Low-lying states v8 ? 2 of methyl cyanide, CH3CN

    NASA Astrophysics Data System (ADS)

    Mller, Holger S. P.; Brown, Linda R.; Drouin, Brian J.; Pearson, John C.; Kleiner, Isabelle; Sams, Robert L.; Sung, Keeyoon; Ordu, Matthias H.; Lewen, Frank

    2015-06-01

    Rotational and rovibrational spectra of methyl cyanide were recorded to analyze interactions in low-lying vibrational states and to construct line lists for radio astronomical observations as well as for infrared spectroscopic investigations of planetary atmospheres. The rotational spectra cover large portions of the 36-1627 GHz region. In the infrared (IR), a spectrum was recorded for this study in the region of 2?8 around 717 cm-1 with assignments covering 684-765 cm-1. Additional spectra in the ?8 region were used to validate the analysis. Information on the K level structure of CH3CN is almost exclusively obtained from IR spectra, as are basics of the J level structure. The large amount and the high accuracy of the rotational data improves knowledge of the J level structure considerably. Moreover, since these data extend to much higher J and K quantum numbers, they allowed us to investigate for the first time in depth local interactions between these states which occur at high K values. In particular, we have detected several interactions between v8 = 1 and 2. Notably, there is a strong ?v8 = 1, ?K = 0, ?l = 3 Fermi resonance between v8 =1-1 and v8 =2+2 at K = 14 . Pronounced effects in the spectrum are also caused by resonant ?v8 = 1, ?K = ? 2, ?l = 1 interactions between v8 = 1 and 2 at K = 13, l = - 1 / K = 11, l = 0 and at K = 15, l = + 1 / K = 13, l = + 2 . An equivalent resonant interaction occurs between K = 14 of the ground vibrational state and K = 12, l = + 1 of v8 = 1 for which we present the first detailed account. A preliminary account was given in an earlier study on the ground vibrational state. Similar resonances were found for CH3CCH and, more recently, for CH3NC, warranting comparison of the results. From data pertaining to v8 = 2, we also investigated rotational interactions with v4 = 1 as well as ?v8 = 1, ?K = 0, ?l = 3 Fermi interactions between v8 = 2 and 3. We have derived N2- and self-broadening coefficients for the ?8, 2?8 -?8, and 2?8 bands from previously determined ?4 values. Subsequently, we determined transition moments and intensities for the three IR bands.

  16. Rotational Spectroscopy as a Tool to Investigate Interactions Between Vibrational Polyads in Symmetric Top Molecules: Low-Lying States v_8 ≤ 2 OF Methyl Cyanide

    NASA Astrophysics Data System (ADS)

    Müller, Holger S. P.; Ordu, Matthias H.; Lewen, Frank; Brown, Linda; Drouin, Brian; Pearson, John; Sung, Keeyoon; Kleiner, Isabelle; Sams, Robert

    2015-06-01

    Rotational and rovibrational spectra of methyl cyanide were recorded to analyze interactions in low-lying vibrational states and to construct line lists for radio astronomical observations as well as for infrared spectroscopic investigations of planetary atmospheres. The rotational spectra cover large portions of the 36-1627~GHz region. In the infrared (IR), a spectrum was recorded for this study in the region of 2ν_8 around 717~cm-1 with assignments covering 684-765~cm-1. Additional spectra in the ν _8 region were used to validate the analysis. Using ν _8 data as well as spectroscopic parameters for v_4 = 1, v_7 = 1, and v_8 = 3 from previous studies, we analyzed rotational data involving v = 0, v_8 = 1, and v_8 = 2 up to high J and K quantum numbers. We analyzed a strong Δ v_8 = ± 1, Δ K = 0, Δ l = ±3 Fermi resonance between v_8 = 1-1 and v_8 = 2+2 at K = 14 and obtained preliminary results for two further Fermi resonances between v_8 = 2 and 3. We also found resonant Δ v_8 = ± 1, Δ K = ∓ 2, Δ l = ± 1 interactions between v_8 = 1 and 2 and present the first detailed analysis of such a resonance between v_8 = 0 and 1. We discuss the impact of this analysis on the v_8 = 1 and 2 as well as on the axial v = 0 parameters and compare selected CH_3CN parameters with those of CH_3CCH and CH_3NC. We evaluated transition dipole moments of ν _8, 2ν _8 - ν _8, and 2ν _8 for remote sensing in the IR. Part of this work was carried out at the Jet Propulsion Laboratory under contract with the National Aeronautics and Space Administration. M. Koivusaari et al., J. Mol. Spectrosc. 152 (1992) 377-388. A.-M. Tolonen et al., J. Mol. Spectrosc. 160 (1993) 554-565.

  17. Rotational spectroscopy as a tool to investigate interactions between vibrational polyads in symmetric top molecules: Low-lying states v(8) <= 2 of methyl cyanide, CH3CN

    SciTech Connect

    Muller, H. S.; Brown, Linda R.; Drouin, B. J.; Pearson, J. C.; Kleiner, Isabelle; Sams, Robert L.; Sung, Keeyoon; Ordu, Matthias H.; Lewen, Frank

    2015-06-01

    Rotational and rovibrational spectra of methyl cyanide were recorded to analyze interactions in low-lying vibrational states and to construct line lists for radio astronomical observations as well as for infrared spectroscopic investigations of planetary atmospheres. The rotational spectra cover large portions of the 36-1627 GHz region. In the infrared (IR), a spectrum was recorded for this study in the region of 2v(8) around 717 cm(-1) with assignments covering 684-765 cm-1. Additional spectra in the vs region were used to validate the analysis.

  18. Measurement of electronic structure from high harmonic generation in non-adiabatically aligned polyatomic molecules

    NASA Astrophysics Data System (ADS)

    Kajumba, N.; Torres, R.; Underwood, Jonathan G.; Robinson, J. S.; Baker, S.; Tisch, J. W. G.; de Nalda, R.; Bryan, W. A.; Velotta, R.; Altucci, C.; Procino, I.; Turcu, I. C. E.; Marangos, J. P.

    2008-02-01

    We have explored the use of laser driven high-order harmonic generation to probe the electronic structure and symmetry of conjugated polyatomic molecular systems. We have investigated non-adiabatically aligned samples of linear symmetric top, nonlinear symmetric top and asymmetric top molecules, and we have observed signatures of their highest occupied molecular orbitals in the dependence of harmonic yields on the angle between the molecular axis and the polarization of the driving field. A good quantitative agreement between the measured orientation dependence of high harmonic generation and calculations employing the strong field approximation has been found. These measurements support the extension of molecular imaging techniques to larger systems.

  19. Interaction-induced light scattering as a source of information on properties and interactions of spherical top molecules

    NASA Astrophysics Data System (ADS)

    Meinander, N.; Tabisz, G. C.; El-Sheikh, S. M.

    The two body collision induced light scattering spectra of pure SF6 and CF4 and of their mixtures with inert gases were measured at 295 K. Spectra of CH4 were measured at several temperatures. The spectrum consists of an intense, broadened depolarized Rayleigh component termed the translational spectrum, which arises from the participation of the relative kinetic energy of the colliding molecules in the scattering process through the Dipole Induced Dipole (DID) and electron overlap interactions. This component has distinct contributions coming from free-free transitions occurring in unbound interacting molecules and from transitions in bound dimers. A third component of the spectrum results from high order multiple polarizabilities and is termed the induced rotational spectrum. The data were compared with computed spectral profiles. These comparisons allowed: testing of a scaling law for the pair polarizability anisotropy responsible for the translational spectra; determination of refined values for the magnitude of the dipole-quadrupole and dipole-octopole molecular polarizabities; and assessment of available intermolecular potentials.

  20. Toward optimization of AgoshRNA molecules that use a non-canonical RNAi pathway: variations in the top and bottom base pairs.

    PubMed

    Herrera-Carrillo, Elena; Harwig, Alex; Berkhout, Ben

    2015-01-01

    Short hairpin RNAs (shRNAs) are widely used for gene knockdown by inducing the RNA interference (RNAi) mechanism. The shRNA precursor is processed by Dicer into small interfering RNAs (siRNAs) and subsequently programs the RNAi-induced silencing complex (RISC) to find a complementary target mRNA (mRNA) for post-transcriptional gene silencing. Recent evidence indicates that shRNAs with a relatively short basepaired stem bypass Dicer to be processed directly by the Ago2 nuclease of the RISC complex. We named this design AgoshRNA as these molecules depend on Ago2 both for processing and subsequent silencing activity. This alternative AgoshRNA processing route yields only a single active RNA strand, an important feature to restrict off-target effects induced by the passenger strand of regular shRNAs. It is therefore important to understand this novel AgoshRNA processing route in mechanistic detail such that one can design the most effective and selective RNA reagents. We performed a systematic analysis of the optimal base pair (bp) composition at the top and bottom of AgoshRNA molecules. In this study, we document the importance of the 5' end nucleotide (nt) and a bottom mismatch. The optimized AgoshRNA design exhibits improved RNAi activity across cell types. These results have important implications for the future design of more specific RNAi therapeutics. PMID:25747107

  1. Highly symmetric networks derived from cubane-related octametallic complexes of a new oxyanion of carbon, C4O7(4-), each molecule attached to eight neighbors by 24 equivalent hydrogen bonds.

    PubMed

    Abrahams, Brendan F; Hudson, Timothy A; Robson, Richard

    2004-07-21

    Aqueous reaction mixtures containing dihydroxyfumaric acid, M2+ (M = Zn, Co, Fe, and Mg) and acetate ion at room temperature give crystals, suitable for single-crystal X-ray diffraction studies, of composition [(MII)8(C4O7)4(H2O)12].24H2O, in which the C4O74- component is the alkoxide-tricarboxylate tetra-anionic species -OC(CO2-)3, a new oxyanion of carbon. All four compounds crystallize in the body-centered space group I3m with cell dimensions a approximately 15.0 A. Discrete electrically neutral [(MII)8(C4O7)4(H2O)12] molecules are present, with a cubane-like core consisting of four trigonal prismatic metal centers and four mu3-alkoxo bridges from separate -OC(CO2-)3 ligands. The octametallic molecule is highly symmetrical, with four fac tri-aqua octahedral metal centers tetrahedrally appended to the central cubane-based [(MII)8(C4O7)4 ]8- unit. The molecules assemble in the crystal in a body-centered cubic fashion, each being attached to its eight neighbors by 24 equivalent hydrogen bonds-an extreme example of self-complementarity. PMID:15250694

  2. Abnormal difference between the mobilities of left- and right-twisted conformations of C{sub 6}H{sub 12}N{sub 2} roto-symmetrical molecules at very low temperatures

    SciTech Connect

    Gabuda, S. P.; Kozlova, S. G.

    2015-06-21

    We report an abnormal difference of low-temperature mobility of left-twisted and right-twisted conformations of roto symmetric molecules C{sub 6}H{sub 12}N{sub 2} (dabco) located in the same positions in crystal Zn{sub 2}(C{sub 8}H{sub 4}O{sub 4}){sub 2}⋅C{sub 6}H{sub 12}N{sub 2}. The difference between {sup 1}H NMR (Nuclear Magnetic Resonance) spin-relaxation data for left-twisted and right-twisted molecules reaches ∼3 × 10{sup 3} times at 8 K and tends to grow at lower temperatures. We argue that taking into account four-component relativistic Dirac wave functions in the vicinity of the nodal plane of dabco molecules and vacuum fluctuations due to virtual particle-antiparticle pairs can explain the changes which C{sub 6}H{sub 12}N{sub 2} conformations undergo at low temperatures.

  3. Two C3 -symmetric Dy3III complexes with triple di-?-methoxo-?-phenoxo bridges, magnetic ground state, and single-molecule magnetic behavior.

    PubMed

    Hnninen, Mikko M; Mota, Antonio J; Aravena, Daniel; Ruiz, Eliseo; Sillanp, Reijo; Camn, Agustn; Evangelisti, Marco; Colacio, Enrique

    2014-07-01

    Two series of isostructural C(3)-symmetric Ln(3) complexes Ln(3)?[BPh(4)] and Ln(3)?0.33[Ln(NO(3))(6)] (in which Ln(III) =Gd and Dy) have been prepared from an amino-bis(phenol) ligand. X-ray studies reveal that Ln(III) ions are connected by one ?(2)-phenoxo and two ?(3)-methoxo bridges, thus leading to a hexagonal bipyramidal Ln(3)O(5) bridging core in which Ln(III) ions exhibit a biaugmented trigonal-prismatic geometry. Magnetic susceptibility studies and ab initio complete active space self-consistent field (CASSCF) calculations indicate that the magnetic coupling between the Dy(III) ions, which possess a high axial anisotropy in the ground state, is very weakly antiferromagnetic and mainly dipolar in nature. To reduce the electronic repulsion from the coordinating oxygen atom with the shortest Dy-O distance, the local magnetic moments are oriented almost perpendicular to the Dy(3) plane, thus leading to a paramagnetic ground state. CASSCF plus restricted active space state interaction (RASSI) calculations also show that the ground and first excited state of the Dy(III) ions are separated by approximately 150 and 177?cm(-1), for Dy(3)?[BPh(4)] and Dy(3)?0.33[Dy(NO(3))(6)], respectively. As expected for these large energy gaps, Dy(3)?[BPh(4)] and Dy(3)?0.33[Dy(NO(3)(6)] exhibit, under zero direct-current (dc) field, thermally activated slow relaxation of the magnetization, which overlap with a quantum tunneling relaxation process. Under an applied Hdc field of 1000?Oe, Dy(3)?[BPh(4)] exhibits two thermally activated processes with U(eff) values of 34.7 and 19.5?cm(-1), whereas Dy(3)?0.33[Dy(NO(3))(6)] shows only one activated process with Ueff =19.5?cm(-1). PMID:24890335

  4. Two dimensional symmetric correlation functions of the S-circumflex operator and two dimensional Fourier transforms: Considering the line coupling for P and R lines of linear molecules

    SciTech Connect

    Ma, Q.; Tipping, R. H.

    2014-03-14

    The refinement of the Robert-Bonamy (RB) formalism by considering the line coupling for isotropic Raman Q lines of linear molecules developed in our previous study [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013)] has been extended to infrared P and R lines. In these calculations, the main task is to derive diagonal and off-diagonal matrix elements of the Liouville operator iS{sub 1} ? S{sub 2} introduced in the formalism. When one considers the line coupling for isotropic Raman Q lines where their initial and final rotational quantum numbers are identical, the derivations of off-diagonal elements do not require extra correlation functions of the S-circumflex operator and their Fourier transforms except for those used in deriving diagonal elements. In contrast, the derivations for infrared P and R lines become more difficult because they require a lot of new correlation functions and their Fourier transforms. By introducing two dimensional correlation functions labeled by two tensor ranks and making variable changes to become even functions, the derivations only require the latters two dimensional Fourier transforms evaluated at two modulation frequencies characterizing the averaged energy gap and the frequency detuning between the two coupled transitions. With the coordinate representation, it is easy to accurately derive these two dimensional correlation functions. Meanwhile, by using the sampling theory one is able to effectively evaluate their two dimensional Fourier transforms. Thus, the obstacles in considering the line coupling for P and R lines have been overcome. Numerical calculations have been carried out for the half-widths of both the isotropic Raman Q lines and the infrared P and R lines of C{sub 2}H{sub 2} broadened by N{sub 2}. In comparison with values derived from the RB formalism, new calculated values are significantly reduced and become closer to measurements.

  5. Two Dimensional Symmetric Correlation Functions of the S Operator and Two Dimensional Fourier Transforms: Considering the Line Coupling for P and R Lines of Linear Molecules

    NASA Technical Reports Server (NTRS)

    Ma, Q.; Boulet, C.; Tipping, R. H.

    2014-01-01

    The refinement of the Robert-Bonamy (RB) formalism by considering the line coupling for isotropic Raman Q lines of linear molecules developed in our previous study [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013)] has been extended to infrared P and R lines. In these calculations, the main task is to derive diagonal and off-diagonal matrix elements of the Liouville operator iS1 - S2 introduced in the formalism. When one considers the line coupling for isotropic Raman Q lines where their initial and final rotational quantum numbers are identical, the derivations of off-diagonal elements do not require extra correlation functions of the ^S operator and their Fourier transforms except for those used in deriving diagonal elements. In contrast, the derivations for infrared P and R lines become more difficult because they require a lot of new correlation functions and their Fourier transforms. By introducing two dimensional correlation functions labeled by two tensor ranks and making variable changes to become even functions, the derivations only require the latters' two dimensional Fourier transforms evaluated at two modulation frequencies characterizing the averaged energy gap and the frequency detuning between the two coupled transitions. With the coordinate representation, it is easy to accurately derive these two dimensional correlation functions. Meanwhile, by using the sampling theory one is able to effectively evaluate their two dimensional Fourier transforms. Thus, the obstacles in considering the line coupling for P and R lines have been overcome. Numerical calculations have been carried out for the half-widths of both the isotropic Raman Q lines and the infrared P and R lines of C2H2 broadened by N2. In comparison with values derived from the RB formalism, new calculated values are significantly reduced and become closer to measurements.

  6. Birefringing arising from the reorientation of the polarizability anisotropy of molecules in collisionless gases

    NASA Technical Reports Server (NTRS)

    Lin, C. H.; Heritage, J. P.; Gustafson, T. K.; Chiao, R. Y.; Mctague, J. P.

    1974-01-01

    The refractive index change in a collisionless gas is evaluated from the Stark shifts of the rotational energy levels that arise from the polarizability anisotropy. For the limit of an extremely short-duration excitation, a multilevel coherent effect resulted in delayed refractive index bursts. Both stationary and transient responses of this birefringence to an optical field were considered for symmetric top molecules, with particular emphasis on the special case of linear molecules.

  7. Rigid rotators. [deriving the time-independent energy states associated with rotational motions of the molecule

    NASA Technical Reports Server (NTRS)

    1976-01-01

    The two-particle, steady-state Schroedinger equation is transformed to center of mass and internuclear distance vector coordinates, leading to the free particle wave equation for the kinetic energy motion of the molecule and a decoupled wave equation for a single particle of reduced mass moving in a spherical potential field. The latter describes the vibrational and rotational energy modes of the diatomic molecule. For fixed internuclear distance, this becomes the equation of rigid rotator motion. The classical partition function for the rotator is derived and compared with the quantum expression. Molecular symmetry effects are developed from the generalized Pauli principle that the steady-state wave function of any system of fundamental particles must be antisymmetric. Nuclear spin and spin quantum functions are introduced and ortho- and para-states of rotators, along with their degeneracies, are defined. Effects of nuclear spin on entropy are deduced. Next, rigid polyatomic rotators are considered and the partition function for this case is derived. The patterns of rotational energy levels for nonlinear molecules are discussed for the spherical symmetric top, for the prolate symmetric top, for the oblate symmetric top, and for the asymmetric top. Finally, the equilibrium energy and specific heat of rigid rotators are derived.

  8. Analytical Morse/long-Range model potential and predicted infrared and microwave spectra for a symmetric top-atom dimer: A case study of CH{sub 3}FHe

    SciTech Connect

    Ma, Yong-Tao; Li, Hui; Zeng, Tao

    2014-06-07

    Four-dimensional ab initio intermolecular potential energy surfaces (PESs) for CH{sub 3}FHe that explicitly incorporates dependence on the Q{sub 3} stretching normal mode of the CH{sub 3}F molecule and are parametrically dependent on the other averaged intramolecular coordinates have been calculated. Analytical three-dimensional PESs for v{sub 3}(CH{sub 3}F) = 0 and 1 are obtained by least-squares fitting the vibrationally averaged potentials to the Morse/Long-Range potential function form. With the 3D PESs, we employ Lanczos algorithm to calculate rovibrational levels of the dimer system. Following some re-assignments, the predicted transition frequencies are in good agreement with experimental microwave data for ortho-CH{sub 3}F, with the root-mean-square deviation of 0.042 cm{sup ?1}. We then provide the first prediction of the infrared and microwave spectra for the para-CH{sub 3}FHe dimer. The calculated infrared band origin shifts associated with the ?{sub 3} fundamental of CH{sub 3}F are 0.039 and 0.069 cm{sup ?1} for para-CH{sub 3}FHe and ortho-CH{sub 3}FHe, respectively.

  9. PT-symmetric strings

    SciTech Connect

    Amore, Paolo; Fernndez, Francisco M.; Garcia, Javier; Gutierrez, German

    2014-04-15

    We study both analytically and numerically the spectrum of inhomogeneous strings with PT-symmetric density. We discuss an exactly solvable model of PT-symmetric string which is isospectral to the uniform string; for more general strings, we calculate exactly the sum rules Z(p)??{sub n=1}{sup ?}1/E{sub n}{sup p}, with p=1,2, and find explicit expressions which can be used to obtain bounds on the lowest eigenvalue. A detailed numerical calculation is carried out for two non-solvable models depending on a parameter, obtaining precise estimates of the critical values where pair of real eigenvalues become complex. -- Highlights: PT-symmetric Hamiltonians exhibit real eigenvalues when PT symmetry is unbroken. We study PT-symmetric strings with complex density. They exhibit regions of unbroken PT symmetry. We calculate the critical parameters at the boundaries of those regions. There are exact real sum rules for some particular complex densities.

  10. Symmetric image registration.

    PubMed

    Rogelj, Peter; Kovacic, Stanislav

    2006-06-01

    This paper presents an original non-rigid image registration approach, which tends to improve the registration by establishing a symmetric image interdependence. In order to gather more information about the image transformation it measures the image similarity in both registration directions. The presented solution is based on the interaction between the images involved in the registration process. Images interact through forces, which according to Newton's action-reaction law form a symmetric relationship. These forces may transform both of the images, although in our implementation one of the images remains fixed. The experiments performed to demonstrate the advantages of the symmetric registration approach involve the registration of simple objects, the recovery of synthetic deformation, and the inter-patient registration of real images of the head. The results show that the symmetric approach improves both the registration consistency and the registration correctness. PMID:15896998

  11. Symmetrical gait descriptions

    NASA Astrophysics Data System (ADS)

    Dunajewski, Adam; Dusza, Jacek J.; Rosado Muoz, Alfredo

    2014-11-01

    The article presents a proposal for the description of human gait as a periodic and symmetric process. Firstly, the data for researches was obtained in the Laboratory of Group SATI in the School of Engineering of University of Valencia. Then, the periodical model - Mean Double Step (MDS) was made. Finally, on the basis of MDS, the symmetrical models - Left Mean Double Step and Right Mean Double Step (LMDS and RMDS) could be created. The method of various functional extensions was used. Symmetrical gait models can be used to calculate the coefficients of asymmetry at any time or phase of the gait. In this way it is possible to create asymmetry, function which better describes human gait dysfunction. The paper also describes an algorithm for calculating symmetric models, and shows exemplary results based on the experimental data.

  12. Top studies

    SciTech Connect

    T. Dorigo

    2003-01-02

    The top quark, discovered in 1994 at the Tevatron, has proven a very interesting particle. Its characteristics allow both to perform stringent tests of electroweak theory, and to search for new physics through a deviation from standard model predictions for several of its peculiar properties. I will review the status of top physics and briefly describe the potential of experiments of the near future.

  13. Symmetric continued fractions

    SciTech Connect

    Panprasitwech, Oranit; Laohakosol, Vichian; Chaichana, Tuangrat

    2010-11-11

    Explicit formulae for continued fractions with symmetric patterns in their partial quotients are constructed in the field of formal power series. Similar to the work of Cohn in 1996, which generalized the so-called folding lemma to {kappa}-fold symmetry, the notion of {kappa}-duplicating symmetric continued fractions is investigated using a modification of the 1995 technique due to Clemens, Merrill and Roeder.

  14. Braids, shuffles and symmetrizers

    NASA Astrophysics Data System (ADS)

    Isaev, A. P.; Ogievetsky, O. V.

    2009-07-01

    Multiplicative analogues of the shuffle elements of the braid group rings are introduced; in local representations they give rise to certain graded associative algebras (b-shuffle algebras). For the Hecke and BMW algebras, the (anti)-symmetrizers have simple expressions in terms of the multiplicative shuffles. The (anti)-symmetrizers can be expressed in terms of the highest multiplicative 1-shuffles (for the Hecke and BMW algebras) and in terms of the highest additive 1-shuffles (for the Hecke algebras). The spectra and multiplicities of eigenvalues of the operators of the multiplication by the multiplicative and additive 1-shuffles are examined. Dedicated to the memory of Aleosha Zamolodchikov.

  15. PT-symmetric kinks

    SciTech Connect

    Souza Dutra, A. de; Santos, V. G. C. S. dos; Amaro de Faria, A. C. Jr.

    2007-06-15

    Some kinks for non-Hermitian quantum field theories in 1+1 dimensions are constructed. A class of models where the soliton energies are stable and real are found. Although these kinks are not Hermitian, they are symmetric under PT transformations.

  16. Architectural Tops

    ERIC Educational Resources Information Center

    Mahoney, Ellen

    2010-01-01

    The development of the skyscraper is an American story that combines architectural history, economic power, and technological achievement. Each city in the United States can be identified by the profile of its buildings. The design of the tops of skyscrapers was the inspiration for the students in the author's high-school ceramic class to develop

  17. a Fitting Program for Molecules with Two Equivalent Tops and C_{2V} Point-Group Symmetry at Equilibrium: Application to Existing Microwave, Millimeter, and Sub-Millimeter Wave Measurements of Acetone

    NASA Astrophysics Data System (ADS)

    Ilyushin, Vadim V.; Hougen, Jon T.

    2013-06-01

    We will present a new theoretical tool, a program called PAM-C2v-2tops, for analysis of the high-resolution torsion-rotation spectra of molecules with two equivalent methyl rotors and C_{2V} symmetry at equilibrium. The new tool belongs to the broad class of effective Hamiltonians, is based on Longuet-Higgins' group theoretical ideas and uses G_{36} permutation-inversion group-theoretical considerations, the principal axis method and a two-step diagonalization procedure. The program was used to carry out a weighted least-squares fit of 1720 microwave, millimeter-wave, and sub-millimeter-wave line frequencies of acetone [(CH_3)_2CO] that are available in the literature. The weighted root-mean-square deviation of 0.93 obtained for a joint fit of the microwave lines belonging to the ground, the lower torsional fundamental, and the higher torsional fundamental states of acetone represents significant progress in comparison with previous fitting attempts, especially for the excited torsional states.

  18. Symmetric modular torsatron

    DOEpatents

    Rome, J.A.; Harris, J.H.

    1984-01-01

    A fusion reactor device is provided in which the magnetic fields for plasma confinement in a toroidal configuration is produced by a plurality of symmetrical modular coils arranged to form a symmetric modular torsatron referred to as a symmotron. Each of the identical modular coils is helically deformed and comprise one field period of the torsatron. Helical segments of each coil are connected by means of toroidally directed windbacks which may also provide part of the vertical field required for positioning the plasma. The stray fields of the windback segments may be compensated by toroidal coils. A variety of magnetic confinement flux surface configurations may be produced by proper modulation of the winding pitch of the helical segments of the coils, as in a conventional torsatron, winding the helix on a noncircular cross section and varying the poloidal and radial location of the windbacks and the compensating toroidal ring coils.

  19. Static cylindrically symmetric spacetimes

    NASA Astrophysics Data System (ADS)

    Fjllborg, Mikael

    2007-05-01

    We prove the existence of static solutions to the cylindrically symmetric Einstein Vlasov system, and we show that the matter cylinder has finite extension in two of the three spatial dimensions. The same results are also proved for a quite general class of equations of state for perfect fluids coupled to the Einstein equations, extending the class of equations of state considered by Bicak et al (2004 Class. Quantum Grav.21 1583). We also obtain this result for the Vlasov Poisson system.

  20. PT-symmetric electronics

    NASA Astrophysics Data System (ADS)

    Schindler, J.; Lin, Z.; Lee, J. M.; Ramezani, H.; Ellis, F. M.; Kottos, T.

    2012-11-01

    We show both theoretically and experimentally that a pair of inductively coupled active LRC circuits (dimer), one with amplification and another with an equivalent amount of attenuation, display all the features which characterize a wide class of non-Hermitian systems which commute with the joint parity-time PT operator: typical normal modes, temporal evolution, and scattering processes. Utilizing a Liouvilian formulation, we can define an underlying PT-symmetric Hamiltonian, which provides important insight for understanding the behavior of the system. When the PT-dimer is coupled to transmission lines, the resulting scattering signal reveals novel features which reflect the PT-symmetry of the scattering target. Specifically we show that the device can show two different behaviors simultaneously, an amplifier or an absorber, depending on the direction and phase relation of the interrogating waves. Having an exact theory, and due to its relative experimental simplicity, PT-symmetric electronics offers new insights into the properties of PT-symmetric systems which are at the forefront of the research in mathematical physics and related fields. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical devoted to Quantum physics with non-Hermitian operators.

  1. Wave Engine Topping Cycle Assessment

    NASA Technical Reports Server (NTRS)

    Welch, Gerard E.

    1996-01-01

    The performance benefits derived by topping a gas turbine engine with a wave engine are assessed. The wave engine is a wave rotor that produces shaft power by exploiting gas dynamic energy exchange and flow turning. The wave engine is added to the baseline turboshaft engine while keeping high-pressure-turbine inlet conditions, compressor pressure ratio, engine mass flow rate, and cooling flow fractions fixed. Related work has focused on topping with pressure-exchangers (i.e., wave rotors that provide pressure gain with zero net shaft power output); however, more energy can be added to a wave-engine-topped cycle leading to greater engine specific-power-enhancement The energy addition occurs at a lower pressure in the wave-engine-topped cycle; thus the specific-fuel-consumption-enhancement effected by ideal wave engine topping is slightly lower than that effected by ideal pressure-exchanger topping. At a component level, however, flow turning affords the wave engine a degree-of-freedom relative to the pressure-exchanger that enables a more efficient match with the baseline engine. In some cases, therefore, the SFC-enhancement by wave engine topping is greater than that by pressure-exchanger topping. An ideal wave-rotor-characteristic is used to identify key wave engine design parameters and to contrast the wave engine and pressure-exchanger topping approaches. An aerodynamic design procedure is described in which wave engine design-point performance levels are computed using a one-dimensional wave rotor model. Wave engines using various wave cycles are considered including two-port cycles with on-rotor combustion (valved-combustors) and reverse-flow and through-flow four-port cycles with heat addition in conventional burners. A through-flow wave cycle design with symmetric blading is used to assess engine performance benefits. The wave-engine-topped turboshaft engine produces 16% more power than does a pressure-exchanger-topped engine under the specified topping constraints. Positive and negative aspects of wave engine topping in gas turbine engines are identified.

  2. Aspects of Quantum Computing with Polar Paramagnetic Molecules

    NASA Astrophysics Data System (ADS)

    Karra, Mallikarjun; Friedrich, Bretislav

    2015-05-01

    Since the original proposal by DeMille, arrays of optically trapped ultracold polar molecules have been considered among the most promising prototype platforms for the implementation of a quantum computer. The qubit of a molecular array is realized by a single dipolar molecule entangled via its dipole-dipole interaction with the rest of the array's molecules. A superimposed inhomogeneous electric field precludes the quenching of the body-fixed dipole moments by rotation and a time dependent external field controls the qubits to perform gate operations. Much like our previous work in which we considered the simplest cases of a polar 1 ? and a symmetric top molecule, here we consider a X2?3 / 2 polar molecule (exemplified by the OH radical) which, by virtue of its nonzero electronic spin and orbital angular momenta, is, in addition, paramagnetic. We demonstrate entanglement tuning by evaluating the concurrence (and the requisite frequencies needed for gate operations) between two such molecules in the presence of varying electric and magnetic fields. Finally, we discuss the conditions required for achieving qubit addressability (transition frequency difference, ?? , as compared with the concomitant Stark and Zeeman broadening) and high fidelity. International Max Planck Research School - Functional Interfaces in Physics and Chemistry.

  3. Symmetrization for redundant channels

    NASA Technical Reports Server (NTRS)

    Tulplue, Bhalchandra R. (Inventor); Collins, Robert E. (Inventor)

    1988-01-01

    A plurality of redundant channels in a system each contain a global image of all the configuration data bases in each of the channels in the system. Each global image is updated periodically from each of the other channels via cross channel data links. The global images of the local configuration data bases in each channel are separately symmetrized using a voting process to generate a system signal configuration data base which is not written into by any other routine and is available for indicating the status of the system within each channel. Equalization may be imposed on a suspect signal and a number of chances for that signal to heal itself are provided before excluding it from future votes. Reconfiguration is accomplished upon detecting a channel which is deemed invalid. A reset function is provided which permits an externally generated reset signal to permit a previously excluded channel to be reincluded within the system. The updating of global images and/or the symmetrization process may be accomplished at substantially the same time within a synchronized time frame common to all channels.

  4. Top hypercharge

    NASA Astrophysics Data System (ADS)

    Chiang, Cheng-Wei; Jiang, Jing; Li, Tianjun; Wang, Yong-Rui

    2007-12-01

    We propose a top hypercharge model with gauge symmetry SU(3)C × SU(2)L × U(1)1 × U(1)2 where the first two families of the Standard Model (SM) fermions are charged under U(1)1 while the third family is charged under U(1)2. The U(1)1 × U(1)2 gauge symmetry is broken down to the U(1)Y gauge symmetry, when a SM singlet Higgs field acquires a vacuum expectation value. We consider the electroweak constraints, and compare the fit to experimental observables to that of the SM. We study the quark CKM mixing between the first two families and the third family, the neutrino masses and mixing, the flavour changing neutral current effects in meson mixing and decays, the Z' discovery potential at the Large Hadron Collider, the dark matter with a gauged Z2 symmetry, and the Higgs boson masses.

  5. Minimally symmetric Higgs boson

    NASA Astrophysics Data System (ADS)

    Low, Ian

    2015-06-01

    Models addressing the naturalness of a light Higgs boson typically employ symmetries, either bosonic or fermionic, to stabilize the Higgs mass. We consider a setup with the minimal amount of symmetries: four shift symmetries acting on the four components of the Higgs doublet, subject to the constraints of linearly realized S U (2 )LU (1 )Y electroweak symmetry. Up to terms that explicitly violate the shift symmetries, the effective Lagrangian can be derived, irrespective of the spontaneously broken group G in the ultraviolet, and is universal among all models where the Higgs arises as a pseudo-Nambu-Goldstone boson. Very high energy scatterings of vector bosons could provide smoking gun signals of a minimally symmetric Higgs boson.

  6. Optimal symmetric flight studies

    NASA Technical Reports Server (NTRS)

    Weston, A. R.; Menon, P. K. A.; Bilimoria, K. D.; Cliff, E. M.; Kelley, H. J.

    1985-01-01

    Several topics in optimal symmetric flight of airbreathing vehicles are examined. In one study, an approximation scheme designed for onboard real-time energy management of climb-dash is developed and calculations for a high-performance aircraft presented. In another, a vehicle model intermediate in complexity between energy and point-mass models is explored and some quirks in optimal flight characteristics peculiar to the model uncovered. In yet another study, energy-modelling procedures are re-examined with a view to stretching the range of validity of zeroth-order approximation by special choice of state variables. In a final study, time-fuel tradeoffs in cruise-dash are examined for the consequences of nonconvexities appearing in the classical steady cruise-dash model. Two appendices provide retrospective looks at two early publications on energy modelling and related optimal control theory.

  7. Tensor species and symmetric functions.

    PubMed Central

    Mndez, M

    1991-01-01

    An equivariant representation of the symmetric group Sn (equivariant representation from here on) is defined as a particular type of tensor species. For any tensor species R the characteristic generating function of R is defined in a way that generalizes the Frobenius characters of representations of the symmetric groups. If R is an equivariant representation, then the characteristic is a homogeneous symmetric function. The combinatorial operations on equivariant representations correspond to formal operations on the respective characteristic functions. In particular, substitution of equivariant representations corresponds to plethysm of symmetric functions. Equivariant representations are constructed that have as characteristic the elementary, complete, and Schur functions. Bijective proofs are given for the formulas that connect them with the monomial symmetric functions. PMID:11607233

  8. Conformally symmetric traversable wormholes

    SciTech Connect

    Boehmer, Christian G.; Harko, Tiberiu; Lobo, Francisco S. N.

    2007-10-15

    Exact solutions of traversable wormholes are found under the assumption of spherical symmetry and the existence of a nonstatic conformal symmetry, which presents a more systematic approach in searching for exact wormhole solutions. In this work, a wide variety of solutions are deduced by considering choices for the form function, a specific linear equation of state relating the energy density and the pressure anisotropy, and various phantom wormhole geometries are explored. A large class of solutions impose that the spatial distribution of the exotic matter is restricted to the throat neighborhood, with a cutoff of the stress-energy tensor at a finite junction interface, although asymptotically flat exact solutions are also found. Using the 'volume integral quantifier', it is found that the conformally symmetric phantom wormhole geometries may, in principle, be constructed by infinitesimally small amounts of averaged null energy condition violating matter. Considering the tidal acceleration traversability conditions for the phantom wormhole geometry, specific wormhole dimensions and the traversal velocity are also deduced.

  9. Some symmetric boundary value problems and non-symmetric solutions

    NASA Astrophysics Data System (ADS)

    Arioli, Gianni; Koch, Hans

    2015-07-01

    We consider the equation - ?u = wf? (u) on a symmetric bounded domain in Rn with Dirichlet boundary conditions. Here w is a positive function or measure that is invariant under the (Euclidean) symmetries of the domain. We focus on solutions u that are positive and/or have a low Morse index. Our results are concerned with the existence of non-symmetric solutions and the non-existence of symmetric solutions. In particular, we construct a solution u for the disk in R2 that has index 2 and whose modulus | u | has only one reflection symmetry. We also provide a corrected proof of [12, Theorem 1].

  10. Achromatic axially symmetric wave plate.

    PubMed

    Wakayama, Toshitaka; Komaki, Kazuki; Otani, Yukitoshi; Yoshizawa, Toru

    2012-12-31

    An achromatic axially symmetric wave plate (AAS-WP) is proposed that is based on Fresnel reflections. The wave plate does not introduce spatial dispersion. It provides retardation in the wavelength domain with an axially symmetric azimuthal angle. The optical configuration, a numerical simulation, and the optical properties of the AAS-WP are described. It is composed of PMMA. A pair of them is manufactured on a lathe. In the numerical simulation, the achromatic angle is estimated and is used to design the devices. They generate an axially symmetric polarized beam. The birefringence distribution is measured in order to evaluate the AAS-WPs. PMID:23388751

  11. Topological Analyses of Symmetric Eruptive Prominences

    NASA Astrophysics Data System (ADS)

    Panasenco, O.; Martin, S. F.

    Erupting prominences (filaments) that we have analyzed from H? Doppler data at Helio Research and from SOHO/EIT 304 , show strong coherency between their chirality, the direction of the vertical and lateral motions of the top of the prominences, and the directions of twisting of their legs. These coherent properties in erupting prominences occur in two patterns of opposite helicity; they constitute a form of dynamic chirality called the ``roll effect." Viewed from the positive network side as they erupt, many symmetrically-erupting dextral prominences develop rolling motion toward the observer along with right-hand helicity in the left leg and left-hand helicity in the right leg. Many symmetricaly-erupting sinistral prominences, also viewed from the positive network field side, have the opposite pattern: rolling motion at the top away from the observer, left-hand helical twist in the left leg, and right-hand twist in the right leg. We have analysed the motions seen in the famous movie of the ``Grand Daddy" erupting prominence and found that it has all the motions that define the roll effect. From our analyses of this and other symmetric erupting prominences, we show that the roll effect is an alternative to the popular hypothetical configuration of an eruptive prominence as a twisted flux rope or flux tube. Instead we find that a simple flat ribbon can be bent such that it reproduces nearly all of the observed forms. The flat ribbon is the most logical beginning topology because observed prominence spines already have this topology prior to eruption and an initial long magnetic ribbon with parallel, non-twisted threads, as a basic form, can be bent into many more and different geometrical forms than a flux rope.

  12. Buckets of tops

    NASA Astrophysics Data System (ADS)

    Buckley, Matthew R.; Plehn, Tilman; Takeuchi, Michihisa

    2013-08-01

    Reconstructing hadronically decaying top quarks is a key challenge at the LHC, affecting a long list of Higgs analyses and new physics searches. We propose a new method of collecting jets in buckets, corresponding to top quarks and initial state radiation. This method is particularly well suited for moderate transverse momenta of the top quark, closing the gap between top taggers and traditional top reconstruction. Applying it to searches for supersymmetric top squarks we illustrate the power of buckets.

  13. Top physics at CDF

    SciTech Connect

    Julia Thom

    2004-06-24

    Precision studies of top quark properties are a primary goal of the Run II physics program at the Fermilab Tevatron. Marking the first stages of this program, the CDF collaboration presents recent results on top pair production cross section, single top physics and top mass, using between 109 and 200 pb{sup -1} of Run II data.

  14. Polyatomic molecule vibrations

    NASA Technical Reports Server (NTRS)

    1976-01-01

    Polyatomic molecule vibrations are analyzed as harmonic vibrations along normal coordinates. The energy eigenvalues are found for linear and nonlinear symmetric triatomic molecules for valence bond models of the potential function with arbitrary coupling coefficients; such models can usually be fitted to observed energy levels with reasonably good accuracy. Approximate normal coordinates for the H2O molecule are discussed. Degenerate vibrational modes such as occur in CO2 are analyzed and expressions for Fermi resonance between close-lying states of the same symmetry are developed. The bending modes of linear triatomic molecules are expressed in terms of Laguerre polynomials in cylindrical coordinates as well as in terms of Hermite polynomials in Cartesian coordinates. The effects of large-amplitude bending such as occur in the C3 molecule are analyzed, along with anharmonic effects, which split the usually degenerate bending mode energy levels. Finally, the vibrational frequencies, degeneracies, and symmetry properties of XY3, X2Y2, and XY4 type molecules are discussed.

  15. Interpolation via symmetric exponential functions

    NASA Astrophysics Data System (ADS)

    Bezubik, Agata; Pota, Severin

    2013-11-01

    Complex valued functions on the Euclidean space Bbb Rn, symmetric or antisymmetric with respect to the permutation group Sn, are often dealt with in various branches of physics, such as quantum theory or theory of integrable systems. One often needs to approximate such functions with series consisting of various special functions which satisfy nice properties. Questions of uniform convergence of such approximations are crucial for applications. In this article a family of special functions called the symmetric exponential functions are used for such approximation and the uniform convergence of their sums is considered.

  16. Prior Distributions on Symmetric Groups

    ERIC Educational Resources Information Center

    Gupta, Jayanti; Damien, Paul

    2005-01-01

    Fully and partially ranked data arise in a variety of contexts. From a Bayesian perspective, attention has focused on distance-based models; in particular, the Mallows model and extensions thereof. In this paper, a class of prior distributions, the "Binary Tree," is developed on the symmetric group. The attractive features of the class are: it

  17. Top quark physics

    SciTech Connect

    Ahmadov, A.; Azuelos, G.; Bauer, U.; Belyaev, A.; Berger, E. L.; Sullivan, Z.; Tait, T. M. P.

    2000-03-24

    The top quark, when it was finally discovered at Fermilab in 1995 completed the three-generation structure of the Standard Model (SM) and opened up the new field of top quark physics. Viewed as just another SM quark, the top quark appears to be a rather uninteresting species. Produced predominantly, in hadron-hadron collisions, through strong interactions, it decays rapidly without forming hadrons, and almost exclusively through the single mode t {r_arrow} Wb. The relevant CKM coupling V{sub tb} is already determined by the (three-generation) unitarity of the CKM matrix. Rare decays and CP violation are unmeasurable small in the SM. Yet the top quark is distinguished by its large mass, about 35 times larger than the mass of the next heavy quark, and intriguingly close to the scale of electroweak (EW) symmetry breaking. This unique property raises a number of interesting questions. Is the top quark mass generated by the Higgs mechanism as the SM predicts and is its mass related to the top-Higgs-Yukawa coupling? Or does it play an even more fundamental role in the EW symmetry breaking mechanism? If there are new particles lighter than the top quark, does the top quark decay into them? Could non-SM physics first manifest itself in non-standard couplings of the top quark which show up as anomalies in top quark production and decays? Top quark physics tries to answer these questions. Several properties of the top quark have already been examined at the Tevatron. These include studies of the kinematical properties of top production, the measurements of the top mass, of the top production cross-section, the reconstruction of t{bar t}pairs in the fully hadronic final states, the study of {tau} decays of the top quark, the reconstruction of hadronic decays of the W boson from top decays, the search for flavor changing neutral current decays, the measurement of the W helicity in top decays, and bounds on t{bar t} spin correlations. Most of these measurements are limited by the small sample of top quarks collected at the Tevatron up to now. The LHC is, in comparison, a top factory, producing about 8 million t{bar t}pairs per experiment per year at low luminosity (10 fb{sup {minus}1}/year), and another few million (anti-)tops in EW single (anti-)top quark production. They therefore expect that top quark properties can be examined with significant precision at the LHC. Entirely new measurements can be contemplated on the basis of the large available statistics.

  18. Schwarz Methods: To Symmetrize or not to Symmetrize

    NASA Technical Reports Server (NTRS)

    Holst, Michael; Vandewalle, Stefan

    1996-01-01

    A preconditioning theory for Schwarz methods is presented. The theory establishes sufficient conditions for multiplicative and additive Schwarz algorithms to yield self-adjoint positive definite preconditioners. It allows for the analysis and use of non-variational and non-convergent linear methods as preconditioners for conjugate gradient methods, and it is applied to domain decomposition and multigrid. This paper illustrates why symmetrizing may be a bad idea for linear methods. Numerical examples are presented for a test problem.

  19. Dare We Teach Tops?

    ERIC Educational Resources Information Center

    Featonby, David

    2010-01-01

    "Tops" are mentioned in classical literature and references are even found in the ancient world. For many children a top is one of the first mechanical toys that they play with by themselves, yet a full appreciation of their motion is rare. My hope is that this article will stimulate the reader's interest in tops, will help with the first stages

  20. Spherical Tippe Tops

    ERIC Educational Resources Information Center

    Cross, Rod

    2013-01-01

    A tippe top (see Fig. 1) is usually constructed as a truncated sphere with a cylindrical peg on top, as indicated in Fig. 2(a). When spun rapidly on a horizontal surface, a tippe top spins about a vertical axis while rotating slowly about a horizontal axis until the peg touches the surface. At that point, weight is transferred to the peg, the

  1. Dare We Teach Tops?

    ERIC Educational Resources Information Center

    Featonby, David

    2010-01-01

    "Tops" are mentioned in classical literature and references are even found in the ancient world. For many children a top is one of the first mechanical toys that they play with by themselves, yet a full appreciation of their motion is rare. My hope is that this article will stimulate the reader's interest in tops, will help with the first stages…

  2. Spherical Tippe Tops

    ERIC Educational Resources Information Center

    Cross, Rod

    2013-01-01

    A tippe top (see Fig. 1) is usually constructed as a truncated sphere with a cylindrical peg on top, as indicated in Fig. 2(a). When spun rapidly on a horizontal surface, a tippe top spins about a vertical axis while rotating slowly about a horizontal axis until the peg touches the surface. At that point, weight is transferred to the peg, the…

  3. Spherical Tippe Tops

    NASA Astrophysics Data System (ADS)

    Cross, Rod

    2013-03-01

    A tippe top (see Fig. 1) is usually constructed as a truncated sphere with a cylindrical peg on top, as indicated in Fig. 2(a). When spun rapidly on a horizontal surface, a tippe top spins about a vertical axis while rotating slowly about a horizontal axis until the peg touches the surface. At that point, weight is transferred to the peg, the truncated sphere rises off the surface, and the top spins on the peg until it is upright. A feature of a tippe top is that its center of mass, labeled G in Fig. 2, is below the geometric center of the sphere, C, when the top is at rest. That is where it will return if the top is tilted sideways and released since that is the stable equilibrium position. The fact that a tippe top turns upside down when it spins is therefore astonishing. The behavior of a tippe top is quite unlike that of a regular top since the spin axis remains closely vertical the whole time. The center of mass of a regular top can also rise, but the spin axis tilts upward as the top rises and enters a "sleeping" position.

  4. Molecule nanoweaver

    DOEpatents

    Gerald, II; Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

    2009-03-10

    A method, apparatus, and system for constructing uniform macroscopic films with tailored geometric assemblies of molecules on the nanometer scale. The method, apparatus, and system include providing starting molecules of selected character, applying one or more force fields to the molecules to cause them to order and condense with NMR spectra and images being used to monitor progress in creating the desired geometrical assembly and functionality of molecules that comprise the films.

  5. Benign symmetric lipomatosis (Madelung's disease).

    PubMed

    Smith, P D; Stadelmann, W K; Wassermann, R J; Kearney, R E

    1998-12-01

    Benign symmetric lipomatosis, also known as Madelung's disease, is a rare condition characterized by massive fatty deposits arranged symmetrically around the neck, shoulders, and arms. These patients might present for liposuction and body contouring. Although infrequently encountered in the average plastic surgeon's practice, this condition should be considered when evaluating candidates for these procedures. The deformity is associated with chronic alcohol use and also with malignant tumors of the upper airways. The deformity is prone to recurrence and its surgical treatment often results in less than optimal aesthetic outcomes. Despite this fact, surgical removal via either direct excision or suction-assisted lipectomy provides the only real hope of palliation. This report describes a patient with this deformity and a review of the literature. PMID:9869144

  6. PT-symmetric phonon laser.

    PubMed

    Jing, Hui; zdemir, S K; L, Xin-You; Zhang, Jing; Yang, Lan; Nori, Franco

    2014-08-01

    By exploiting recent developments associated with coupled microcavities, we introduce the concept of the PT-symmetric phonon laser with balanced gain and loss. This is accomplished by introducing gain to one of the microcavities such that it balances the passive loss of the other. In the vicinity of the gain-loss balance, a strong nonlinear relation emerges between the intracavity-photon intensity and the input power. This then leads to a giant enhancement of both optical pressure and mechanical gain, resulting in a highly efficient phonon-lasing action. These results provide a promising approach for manipulating optomechanical systems through PT-symmetric concepts. Potential applications range from enhancing mechanical cooling to designing phonon-laser amplifiers. PMID:25126921

  7. R-symmetric gauge mediation

    NASA Astrophysics Data System (ADS)

    De Lope Amigo, Santiago; Blechman, Andrew E.; Fox, Patrick J.; Poppitz, Erich

    2009-01-01

    We present a version of Gauge Mediated Supersymmetry Breaking which preserves an R-symmetrythe gauginos are Dirac particles, the A-terms are zero, and there are four Higgs doublets. This offers an alternative way for gauginos to acquire mass in the supersymmetry-breaking models of Intriligator, Seiberg, and Shih. We investigate the possibility of using R-symmetric gauge mediation to realize the spectrum and large sfermion mixing of the model of Kribs, Poppitz, and Weiner.

  8. Top physics at CDF

    SciTech Connect

    Schwarz, Thomas A.; /UC, Davis

    2008-07-01

    Recent results in top physics at CDF presented at the Lake Louise Winter Institute 2008 are discussed, including updates to the top mass, single top search, a search for flavor changing neutral currents in top decay, and W-helicity measurements. Several newer measurements are also presented including the forward-backward asymmetry, the t{bar t} differential cross-section d{sigma}/dM{sub t{bar t}}, and a search for top pair production from massive gluons. Most of the discussed measurements utilize close to 2 fb{sup -1} of data collected at CDF.

  9. CDF Top Physics

    DOE R&D Accomplishments Database

    Tartarelli, G. F.; CDF Collaboration

    1996-05-01

    The authors present the latest results about top physics obtained by the CDF experiment at the Fermilab Tevatron collider. The data sample used for these analysis (about 110 pb{sup{minus}1}) represents almost the entire statistics collected by CDF during four years (1992--95) of data taking. This large data size has allowed detailed studies of top production and decay properties. The results discussed here include the determination of the top quark mass, the measurement of the production cross section, the study of the kinematics of the top events and a look at top decays.

  10. Top quark physics

    SciTech Connect

    Erbacher, Robin D.; /UC, Davis

    2005-10-01

    While the top quark was discovered in 1995 at the Fermilab Tevatron, a decade later they still have very little information about the top. As the heaviest particle yet discovered, the top quark is interesting in and of itself, but some speculate that it may play a special role in physics beyond the Standard Model. With Run 2 of the Tevatron well underway, they have the opportunity to study top quark properties with much better sensitivity, and to test whether top quarks behave as predicted by current theories. This article focuses on the basics of top quark physics at the Tevatron, highlighting only a sample of the many recent measurements, as new results are being released monthly, and constantly changing the landscape of our knowledge of top.

  11. Octupolar (C3 and S4) Symmetric Cyclized Indole Derivatives: Syntheses, Structures, and NLO Properties.

    PubMed

    Wang, Lei; Fang, Qi; Lu, Qing; Zhang, Shao-jun; Jin, Ying-ying; Liu, Zhi-qiang

    2015-09-01

    Several cyclized indole derivatives have been synthesized, and their structures been determined. The C3-symmetric single-chiral N-phenyltriindole (Tr-Ph3) crystallized in the P1 space group, and the S4-symmetric saddle-like tetraindole (TTr) crystallized in the I4? space group. The Tr-Ph3 and TTr crystals exhibit remarkable powder SHG intensities 5 and 11 times that of KH2PO4 (KDP), respectively. TTr is a useful octupolar core to build S4-symmetric molecules and crystals for second-NLO materials. PMID:26304016

  12. Strong orientational coordinates and orientational order parameters for symmetric objects

    NASA Astrophysics Data System (ADS)

    Haji-Akbari, Amir; Glotzer, Sharon C.

    2015-12-01

    Recent advancements in the synthesis of anisotropic macromolecules and nanoparticles have spurred an immense interest in theoretical and computational studies of self-assembly. The cornerstone of such studies is the role of shape in self-assembly and in inducing complex order. The problem of identifying different types of order that can emerge in such systems can, however, be challenging. Here, we revisit the problem of quantifying orientational order in systems of building blocks with non-trivial rotational symmetries. We first propose a systematic way of constructing orientational coordinates for such symmetric building blocks. We call the arising tensorial coordinates strong orientational coordinates (SOCs) as they fully and exclusively specify the orientation of a symmetric object. We then use SOCs to describe and quantify local and global orientational order, and spatiotemporal orientational correlations in systems of symmetric building blocks. The SOCs and the orientational order parameters developed in this work are not only useful in performing and analyzing computer simulations of symmetric molecules or particles, but can also be utilized for the efficient storage of rotational information in long trajectories of evolving many-body systems.

  13. HUBBLE'S TOP TEN GRAVITATIONAL LENSES

    NASA Technical Reports Server (NTRS)

    2002-01-01

    The NASA Hubble Space Telescope serendipitous survey of the sky has uncovered exotic patterns, rings, arcs and crosses that are all optical mirages produced by a gravitational lens, nature's equivalent of having giant magnifying glass in space. Shown are the top 10 lens candidates uncovered in the deepest 100 Hubble fields. Hubble's sensitivity and high resolution allow it to see faint and distant lenses that cannot be detected with ground-based telescopes whose images are blurred by Earth's atmosphere. [Top Left] - HST 01248+0351 is a lensed pair on either side of the edge-on disk lensing galaxy. [Top Center] - HST 01247+0352 is another pair of bluer lensed source images around the red spherical elliptical lensing galaxy. Two much fainter images can be seen near the detection limit which might make this a quadruple system. [Top Right] - HST 15433+5352 is a very good lens candidate with a bluer lensed source in the form of an extended arc about the redder elliptical lensing galaxy. [Middle Far Left] - HST 16302+8230 could be an 'Einstein ring' and the most intriguing lens candidate. It has been nicknamed the 'the London Underground' since it resembles that logo. [Middle Near Left] - HST 14176+5226 is the first, and brightest lens system discovered in 1995 with the Hubble telescope. This lens candidate has now been confirmed spectroscopically using large ground-based telescopes. The elliptical lensing galaxy is located 7 billion light-years away, and the lensed quasar is about 11 billion light-years distant. [Middle Near Right] - HST 12531-2914 is the second quadruple lens candidate discovered with Hubble. It is similar to the first, but appears smaller and fainter. [Middle Far Right] - HST 14164+5215 is a pair of bluish lensed images symmetrically placed around a brighter, redder galaxy. [Bottom Left] - HST 16309+8230 is an edge-on disk-like galaxy (blue arc) which has been significantly distorted by the redder lensing elliptical galaxy. [Bottom Center] - HST 12368+6212 is a blue arc in the Hubble Deep Field (HDF). [Bottom Right] - HST 18078+4600 is a blue arc caused by the gravitational potential of a small group of 4 galaxies. Credit: Kavan Ratnatunga (Carnegie Mellon Univ.) and NASA

  14. Spherically symmetric canonical quantum gravity

    NASA Astrophysics Data System (ADS)

    Brahma, Suddhasattwa

    2015-06-01

    Canonical quantization of spherically symmetric space-times is carried out, using real-valued densitized triads and extrinsic curvature components, with specific factor-ordering choices ensuring in an anomaly free quantum constraint algebra. Comparison with previous work [Nucl. Phys. B399, 211 (1993)] reveals that the resulting physical Hilbert space has the same form, although the basic canonical variables are different in the two approaches. As an extension, holonomy modifications from loop quantum gravity are shown to deform the Dirac space-time algebra, while going beyond "effective" calculations.

  15. Postural stability in symmetrical gaits.

    PubMed

    Zielińska, Teresa; Trojnacki, Maciej

    2009-01-01

    In this paper the method of stability analysis of dynamic symmetrical gaits is discussed. The problem of dynamic postural equilibrium, taking into account the role of compliant feet, is solved. The equilibrium conditions are split between the foot attachment points and the points within the foot-end area. The present method is useful for motion synthesis, taking into account robot parameters. It also helps in the robot foot design. As an illustrative example a four-legged diagonal gait is considered. The theoretical results were verified by implementing and observing the diagonal gait in four-legged machine with and without feet. PMID:19839558

  16. Top quark measurements

    SciTech Connect

    Juste, A.; /Fermilab

    2005-11-01

    Ten years after its discovery at the Tevatron collider, we still know little about the top quark. Its large mass suggests it may play a key role in the mechanism of Electroweak Symmetry Breaking (EWSB), or open a window of sensitivity to new physics related to EWSB and preferentially coupled to it. To determine whether this is the case, precision measurements of top quark properties are necessary. The high statistics samples being collected by the Tevatron experiments during Run II start to incisively probe the top quark sector. This report summarizes the experimental status of the top quark, focusing in particular on the recent measurements from the Tevatron Run II.

  17. Top Physics at CDF

    SciTech Connect

    Moon, Chang-Seong

    2011-06-01

    We present the recent results of top-quark physics using up to 6 fb{sup -1} of p{bar p} collisions at a center of mass energy of {radical}s = 1.96 TeV analyzed by the CDF collaboration. Thanks to this large data sample, precision top quark measurements are now a reality at the Tevatron. Further, several new physics signals could appear in this large dataset. We will present the latest measurements of top quark intrinsic properties as well as direct searches for new physics in the top sector.

  18. Nonstandard top substructure

    NASA Astrophysics Data System (ADS)

    Englert, Christoph; Gonalves, Dorival; Spannowsky, Michael

    2014-04-01

    The top quark, being the heaviest particle of the Standard Model (SM), is a prime candidate of where physics beyond the SM (BSM) might currently hide before our eyes. There are many natural extensions of the SM that rely on top compositeness, and the top quark could follow the paradigm of revealing a substructure when it is probed at high enough momentum transfers. Observing high pT top final states naturally drives us toward boosted hadronic analyses that can be tackled efficiently with jet substructure techniques. In this paper we analyze the prospects of constraining exemplary nonstandard QCD top interactions in this kinematical regime. We correctly include QCD modifications to additional gluon emission off the boosted top quark and keep track of the modified top tagging efficiencies. We conclude that nonstandard top QCD interactions can be formidably constrained at the LHC 14 TeV. Experimental systematic uncertainties are a major obstacle of the described measurement. Unless significantly improved for the 14 TeV run, they will saturate the direct sensitivity to nonresonant BSM top physics at luminosities of around 100/fb.

  19. Cycles in symmetric sequence processing

    NASA Astrophysics Data System (ADS)

    Metz, Fernando L.; Theumann, Walter K.

    2007-02-01

    The competition between pattern reconstruction and sequence processing is studied here in an exactly solvable feed-forward layered neural network model of binary units and patterns near saturation. We show results for both symmetric and asymmetric sequence processing, either one competing with pattern reconstruction represented by a Hebbian interaction, in order to compare these two kinds of sequence processing. Phase diagrams of stationary states are obtained and a new phase of cycles of period two is found for a weak Hebbian term in the case of symmetric sequence processing, independently of the number of condensed patterns c which have macroscopic overlaps with the states of the network. In contrast, the stability of these cycles depends strongly on c. These results are in contrast with those for the competition between a Hebbian interaction and an asymmetric sequence processing interaction, in which the period of the cycles is c and the stability of these solutions does not depend on c. The dynamics of the macroscopic overlaps in the stationary cyclic phase is analyzed in both models.

  20. STED microscopy based on axially symmetric polarized vortex beams

    NASA Astrophysics Data System (ADS)

    Zhehai, Zhou; Lianqing, Zhu

    2016-03-01

    A stimulated emission depletion (STED) microscopy scheme using axially symmetric polarized vortex beams is proposed based on unique focusing properties of such kinds of beams. The concept of axially symmetric polarized vortex beams is first introduced, and the basic principle about the scheme is described. Simulation results for several typical beams are then shown, including radially polarized vortex beams, azimuthally polarized vortex beams, and high-order axially symmetric polarized vortex beams. The results indicate that sharper doughnut spots and thus higher resolutions can be achieved, showing more flexibility than previous schemes based on flexible modulation of both phase and polarization for incident beams. Project supported by the National Natural Science Foundation of China (Grant Nos. 61108047 and 61475021), the Natural Science Foundation of Beijing, China (Grant No. 4152015), the Program for New Century Excellent Talents in Universities of China (Grant No. NCET-13-0667), and the Top Young Talents Support Program of Beijing, China (Grant No. CIT&TCD201404113).

  1. PELDOR in rotationally symmetric homo-oligomers

    PubMed Central

    Giannoulis, Angeliki; Ward, Richard; Branigan, Emma; Naismith, James H.; Bode, Bela E.

    2013-01-01

    Nanometre distance measurements by pulsed electronelectron double resonance (PELDOR) spectroscopy have become an increasingly important tool in structural biology. The theoretical underpinning of the experiment is well defined for systems containing two nitroxide spin-labels (spin pairs); however, recently experiments have been reported on homo-oligomeric membrane proteins consisting of up to eight spin-labelled monomers. We have explored the theory behind these systems by examining model systems based on multiple spins arranged in rotationally symmetric polygons. The results demonstrate that with a rising number of spins within the test molecule, increasingly strong distortions appear in distance distributions obtained from an analysis based on the simple spin pair approach. These distortions are significant over a range of system sizes and remain so even when random errors are introduced into the symmetry of the model. We present an alternative approach to the extraction of distances on such systems based on a minimisation that properly treats multi-spin correlations. We demonstrate the utility of this approach on a spin-labelled mutant of the heptameric Mechanosensitive Channel of Small Conductance of E. coli. PMID:24954956

  2. Training Top 125

    ERIC Educational Resources Information Center

    Training, 2012

    2012-01-01

    The best learning and development organizations support business initiatives tactically "and" help drive strategic change. Verizon did just that, earning it the No. 1 spot for the first time on the Training Top 125. Verizon and the other 2012 Top 125 winners continued to invest in training, collectively dedicating a mean of 4.52 percent of their…

  3. The Tippe Top Revisited

    ERIC Educational Resources Information Center

    Cohen, Richard J.

    1977-01-01

    Supports the contention that sliding friction explains the inversion of a tippe top when it is spun upon a flat surface. Provides a rigorous analysis of the top's mechanics, together with computer-generated solutions of its equations of motion. (MLH)

  4. Top search at CDF

    SciTech Connect

    Contreras, M. )

    1991-10-01

    We review top quark searches carried out at CDF with data collected during the 1988--1989 Collider Run. The latest analyses give a lower limit on the top quark mass of 91 GeV/c{sup 2} at the 95% confidence level, assuming Standard Model decays. 8 refs., 6 figs., 1 tab.

  5. Training Top 125

    ERIC Educational Resources Information Center

    Training, 2011

    2011-01-01

    Top companies realize how vital training is to their success and continue to invest in it, even in trying times. This article presents "Training" magazine's 11th annual ranking of the top companies with employee-sponsored workforce training and development. First-time No. 1 winner Farmers Insurance puts such a premium on learning that its new

  6. Training Top 125

    ERIC Educational Resources Information Center

    Training, 2012

    2012-01-01

    The best learning and development organizations support business initiatives tactically "and" help drive strategic change. Verizon did just that, earning it the No. 1 spot for the first time on the Training Top 125. Verizon and the other 2012 Top 125 winners continued to invest in training, collectively dedicating a mean of 4.52 percent of their

  7. Top physics at CDF

    SciTech Connect

    Hughes, R.E.

    1997-01-01

    We report on top physics results using a 100 pb{sup -1} data sample of p{bar p} collisions at {radical}s = 1.8 TeV collected with the Collider Detector at Fermilab (CDF). We have identified top signals in a variety of decay channels, and used these channels to extract a measurement of the top mass and production cross section. A subset of the data (67 pb{sup -1}) is used to determine M{sub top} = 176 {+-} 8(stat) {+-} 10(syst) and {sigma}(tt) = 7.6 {sub -2.0}{sup +2.4} pb. We present studies of the kinematics of t{bar t} events and extract the first direct measurement of V{sub tb}. Finally, we indicate prospects for future study of top physics at the Tevatron.

  8. Probabilistic cloning of three symmetric states

    SciTech Connect

    Jimenez, O.; Bergou, J.; Delgado, A.

    2010-12-15

    We study the probabilistic cloning of three symmetric states. These states are defined by a single complex quantity, the inner product among them. We show that three different probabilistic cloning machines are necessary to optimally clone all possible families of three symmetric states. We also show that the optimal cloning probability of generating M copies out of one original can be cast as the quotient between the success probability of unambiguously discriminating one and M copies of symmetric states.

  9. Nonlinear {PT}-symmetric plaquettes

    NASA Astrophysics Data System (ADS)

    Li, Kai; Kevrekidis, P. G.; Malomed, Boris A.; Gnther, Uwe

    2012-11-01

    We introduce four basic two-dimensional (2D) plaquette configurations with onsite cubic nonlinearities, which may be used as building blocks for 2D {PT}-symmetric lattices. For each configuration, we develop a dynamical model and examine its {P} {T}symmetry. The corresponding nonlinear modes are analyzed starting from the Hamiltonian limit, with zero value of the gain-loss coefficient, ?. Once the relevant waveforms have been identified (chiefly, in an analytical form), their stability is examined by means of linearization in the vicinity of stationary points. This reveals diverse and, occasionally, fairly complex bifurcations. The evolution of unstable modes is explored by means of direct simulations. In particular, stable localized modes are found in these systems, although the majority of identified solutions are unstable. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical devoted to Quantum physics with non-Hermitian operators.

  10. Symmetrical mixtures in external fields.

    PubMed

    Materniak, S; Patrykiejew, A

    2013-07-01

    We have studied the behavior of symmetrical binary mixtures of Lennard-Jones particles in contact with strongly adsorbing walls using Monte Carlo simulation methods in the grand canonical and semi-grand canonical ensembles. Two types of the surface potential have been applied. The first depends on the distance from the surface only, while the second involves periodic modulations in the directions parallel to the wall. In the latter case, it has been assumed that the solid substrate is a fcc crystal with the surface being the (100) face. We have considered the systems in which the surface potential is strong enough to induce the layer-by-layer adsorption at low temperatures and discussed the interplay between the demixing transition and the structure of thin films for several systems characterized by different parameters describing the interactions in the system. PMID:23822318

  11. Top Quark Properties

    SciTech Connect

    Peters, Yvonne

    2011-12-01

    Since its discovery in 1995 by the CDF and D0 collaborations at the Fermilab Tevatron collider, the top quark has undergone intensive studies. Besides the Tevatron experiments, with the start of the LHC in 2010 a top quark factory started its operation. It is now possible to measure top quark properties simultaneously at four different experiments, namely ATLAS and CMS at LHC and CDF and D0 at Tevatron. Having collected thousands of top quarks each, several top quark properties have been measured precisely, while others are being measured for the first time. In this article, recent measurements of top quark properties from ATLAS, CDF, CMS and D0 are presented, using up to 5.4 fb{sup -1} of integrated luminosity at the Tevatron and 1.1 fb{sup -1} at the LHC. In particular, measurements of the top quark mass, mass difference, foward backward charge asymmetry, t{bar t} spin correlations, the ratio of branching fractions, W helicity, anomalous couplings, color flow and the search for flavor changing neutral currents are discussed.

  12. Mobius Molecules

    ERIC Educational Resources Information Center

    Eckert, J. M.

    1973-01-01

    Discusses formation of chemical molecules via Mobius strip intermediates, and concludes that many special physics-chemical properties of the fully closed circular form (1) of polyoma DNA are explainable by this topological feature. (CC)

  13. Interstellar Molecules

    ERIC Educational Resources Information Center

    Solomon, Philip M.

    1973-01-01

    Radioastronomy reveals that clouds between the stars, once believed to consist of simple atoms, contain molecules as complex as seven atoms and may be the most massive objects in our Galaxy. (Author/DF)

  14. Rotation commensurate echo of asymmetric moleculesMolecular fingerprints in the time domain

    NASA Astrophysics Data System (ADS)

    Chesnokov, E. N.; Kubarev, V. V.; Koshlyakov, P. V.

    2014-12-01

    Using the pulses of terahertz free electron laser and ultra-fast Schottky diode detectors, we observed the coherent transients within a free induction decay of gaseous nitrogen dioxide NO2. The laser excited different sub-bands of rotation spectra of NO2 containing about 50-70 lines. The free induction signal continued more than 30 ns and consisted of many echo-like bursts duration about 0.2 ns. Unlike the similar effect observed previously for linear and symmetric top molecules, the sequence of echo bursts is not periodic. The values for delay of individual echo are stable, and the set of these delays can be considered as a "molecular fingerprint" in the time domain.

  15. Top physics at CDF

    SciTech Connect

    Palencia, Enrique; /Cantabria Inst. of Phys.

    2006-06-01

    The top quark is the most massive fundamental particle observed so far, and the study of its properties is interesting for several reasons ranging from its possible special role in electroweak symmetry breaking to its sensitivity to physics beyond the Standard Model (SM). This article focuses on the latest top physics results from CDF based on 320-750 pb{sup -1} of p{bar p} collision data at {radical}s = 1.96 TeV. The t{bar t} cross section and the top mass have been measured in different decay channels and using different methods. They have also searched for massive t{bar t} resonances.

  16. Dare we teach tops?

    NASA Astrophysics Data System (ADS)

    Featonby, David

    2010-07-01

    Tops are mentioned in classical literature and references are even found in the ancient world. For many children a top is one of the first mechanical toys that they play with by themselves, yet a full appreciation of their motion is rare. My hope is that this article will stimulate the reader's interest in tops, will help with the first stages of understanding, and will provide inspiration for looking into the subject further. As a result of this, teachers will be happy and have the confidence to discuss these wonderful toys with their pupils. The article discusses tops and spinning objects of various types, and relates them to some of the physical principles that they demonstrate.

  17. Top quark physics: Overview

    SciTech Connect

    Parke, S.

    1998-01-01

    In this presentation I will primarily focus on top quark physics but I will include a discussion of the W-boson mass and the possibility of discovering a light Higgs boson via associated production at the Tevatron.

  18. Top physics: CDF results

    SciTech Connect

    K. Bloom

    2004-06-23

    The top quark plays an important role in the grand scheme of particle physics, and is also interesting on its own merits. We present recent results from CDF on top-quark physics based on 100-200 pb{sup -1} of p{bar p} collision data. We have measured the t{bar t} cross section in different decay modes using several different techniques, and are beginning our studies of top-quark properties. New analyses for this conference include a measurement of {sigma}{sub t{bar t}} in the lepton-plus-jets channel using a neural net to distinguish signal and background events, and measurements of top-quark branching fractions.

  19. Top quark mass measurements

    SciTech Connect

    Hill, Christopher S.; /UC, Santa Barbara

    2004-12-01

    The top quark, with its extraordinarily large mass (nearly that of a gold atom), plays a significant role in the phenomenology of EWSB in the Standard Model. In particular, the top quark mass when combined with the W mass constrains the mass of the as yet unobserved Higgs boson. Thus, a precise determination of the mass of the top quark is a principal goal of the CDF and D0 experiments. With the data collected thus far in Runs 1 and 2 of the Tevatron, CDF and D0 have measured the top quark mass in both the lepton+jets and dilepton decay channels using a variety of complementary experimental techniques. The author presents an overview of the most recent of the measurements.

  20. D0 top physics

    SciTech Connect

    Pleier, M.-A.; /Rochester U.

    2005-11-01

    The Tevatron proton-antiproton collider at Fermilab operates at a center of mass energy of 1.96 TeV and is currently the only source for the production of top quarks. Recent D0 results on the top quark's production cross section and its properties such as mass, helicity of the W in its decay and branching fraction B(t {yields} Wb) are presented, and probe the validity of the Standard Model (SM).

  1. Continuity and Separation in Symmetric Topologies

    ERIC Educational Resources Information Center

    Harris, J.; Lynch, M.

    2007-01-01

    In this note, it is shown that in a symmetric topological space, the pairs of sets separated by the topology determine the topology itself. It is then shown that when the codomain is symmetric, functions which separate only those pairs of sets that are already separated are continuous, generalizing a result found by M. Lynch.

  2. Baryon symmetric big bang cosmology

    NASA Technical Reports Server (NTRS)

    Stecker, F. W.

    1978-01-01

    Both the quantum theory and Einsteins theory of special relativity lead to the supposition that matter and antimatter were produced in equal quantities during the big bang. It is noted that local matter/antimatter asymmetries may be reconciled with universal symmetry by assuming (1) a slight imbalance of matter over antimatter in the early universe, annihilation, and a subsequent remainder of matter; (2) localized regions of excess for one or the other type of matter as an initial condition; and (3) an extremely dense, high temperature state with zero net baryon number; i.e., matter/antimatter symmetry. Attention is given to the third assumption, which is the simplest and the most in keeping with current knowledge of the cosmos, especially as pertains the universality of 3 K background radiation. Mechanisms of galaxy formation are discussed, whereby matter and antimatter might have collided and annihilated each other, or have coexisted (and continue to coexist) at vast distances. It is pointed out that baryon symmetric big bang cosmology could probably be proved if an antinucleus could be detected in cosmic radiation.

  3. Small Molecule Inhibitors of Anthrax Lethal Factor Toxin

    PubMed Central

    Williams, John D.; Khan, Atiyya R.; Cardinale, Steven C.; Butler, Michelle M.; Bowlin, Terry L.; Peet, Norton P.

    2014-01-01

    This manuscript describes the preparation of new small molecule inhibitors of Bacillus anthracis lethal factor. Our starting point was the symmetrical, bis-quinolinyl compound 1 (NSC 12155). Optimization of one half of this molecule led to new LF inhibitors that were desymmetrized to afford more drug-like compounds. PMID:24290062

  4. PT-symmetric quantum mechanics

    SciTech Connect

    Bender, C.M.; Boettcher, S.; Meisinger, P.N.

    1999-05-01

    This paper proposes to broaden the canonical formulation of quantum mechanics. Ordinarily, one imposes the condition H{sup {dagger}}=H on the Hamiltonian, where {dagger} represents the mathematical operation of complex conjugation and matrix transposition. This conventional Hermiticity condition is sufficient to ensure that the Hamiltonian {ital H} has a real spectrum. However, replacing this mathematical condition by the weaker and more physical requirement H{sup {double_dagger}}=H, where {double_dagger} represents combined parity reflection and time reversal PT, one obtains new classes of complex Hamiltonians whose spectra are still real and positive. This generalization of Hermiticity is investigated using a complex deformation H=p{sup 2}+x{sup 2}(ix){sup {epsilon}} of the harmonic oscillator Hamiltonian, where {epsilon} is a real parameter. The system exhibits two phases: When {epsilon}{ge}0, the energy spectrum of {ital H} is real and positive as a consequence of PT symmetry. However, when {minus}1{lt}{epsilon}{lt}0, the spectrum contains an infinite number of complex eigenvalues and a finite number of real, positive eigenvalues because PT symmetry is spontaneously broken. The phase transition that occurs at {epsilon}=0 manifests itself in both the quantum-mechanical system and the underlying classical system. Similar qualitative features are exhibited by complex deformations of other standard real Hamiltonians H=p{sup 2}+x{sup 2N}(ix){sup {epsilon}} with {ital N} integer and {epsilon}{gt}{minus}N; each of these complex Hamiltonians exhibits a phase transition at {epsilon}=0. These PT-symmetric theories may be viewed as analytic continuations of conventional theories from real to complex phase space. {copyright} {ital 1999 American Institute of Physics.}

  5. Averaging in spherically symmetric cosmology

    SciTech Connect

    Coley, A. A.; Pelavas, N.

    2007-02-15

    The averaging problem in cosmology is of fundamental importance. When applied to study cosmological evolution, the theory of macroscopic gravity (MG) can be regarded as a long-distance modification of general relativity. In the MG approach to the averaging problem in cosmology, the Einstein field equations on cosmological scales are modified by appropriate gravitational correlation terms. We study the averaging problem within the class of spherically symmetric cosmological models. That is, we shall take the microscopic equations and effect the averaging procedure to determine the precise form of the correlation tensor in this case. In particular, by working in volume-preserving coordinates, we calculate the form of the correlation tensor under some reasonable assumptions on the form for the inhomogeneous gravitational field and matter distribution. We find that the correlation tensor in a Friedmann-Lemaitre-Robertson-Walker (FLRW) background must be of the form of a spatial curvature. Inhomogeneities and spatial averaging, through this spatial curvature correction term, can have a very significant dynamical effect on the dynamics of the Universe and cosmological observations; in particular, we discuss whether spatial averaging might lead to a more conservative explanation of the observed acceleration of the Universe (without the introduction of exotic dark matter fields). We also find that the correlation tensor for a non-FLRW background can be interpreted as the sum of a spatial curvature and an anisotropic fluid. This may lead to interesting effects of averaging on astrophysical scales. We also discuss the results of averaging an inhomogeneous Lemaitre-Tolman-Bondi solution as well as calculations of linear perturbations (that is, the backreaction) in an FLRW background, which support the main conclusions of the analysis.

  6. Top-ophilia

    SciTech Connect

    Quigg, Chris; /Fermilab

    2008-01-01

    Almost from the moment in June 1977 when the discovery of the Upsilon resonance revealed the existence of what we now call the bottom quark, physicists began searching for its partner. Through the years, as we established the electric charge and weak isospin of the b-quark, and detected the virtual influence of its mate, it became clear that the top quark must exist. Exactly at what mass, we couldn't say, but we knew just how top events would look. We also knew that top events would be rare--if the Tevatron could make them at all--and that picking out the events would pose a real challenge for the experimenters and their detectors.

  7. Dirac-Lorentz Equation in Symmetrized Electrodynamics

    NASA Astrophysics Data System (ADS)

    van Meter, J. R.; Hartemann, F. V.; Chen, P.

    1998-11-01

    Motivated by considerations regarding high field electrodynamics and the classical limit of QED(M. Zolotorev, private communication, AAC 1998), the fundamental equations of classical electrodynamics are symmetrized to include magnetic charges. A double 4-potential formalism is introduced, in terms of which the field tensor and its dual are employed to symmetrize Maxwell's equations and the Lorentz force equation in covariant form. Within this framework, the symmetrized Dirac-Lorentz force equation is derived, giving the radiation reaction (self-force) for a particle possessing both electric and magnetic charge.

  8. Nonlinear symmetric stability of planetary atmospheres

    SciTech Connect

    Bowman, J.C.; Shepherd, T.G.

    1994-11-01

    The energy-Casimir method is applied to the problem of symmetric stability in the context of a compressible, hydrostatic planetary atmosphere with a general equation of state. Linear stability criteria for symmetric disturbances to a zonally symmetric baroclinic flow are obtained. In the special case of a perfect gas the results of Stevens (1983) are recovered. Nonlinear stability conditions are also obtained that, in addition to implying linear stability, provide an upper bound on a certain positive-definite measure of disturbance amplitude.

  9. Top quark physics: Future measurements

    SciTech Connect

    Frey, R.; Vejcik, S.; Berger, E.L.

    1997-04-04

    The authors discuss the study of the top quark at future experiments and machines. Top`s large mass makes it a unique probe of physics at the natural electroweak scale. They emphasize measurements of the top quark`s mass, width, and couplings, as well as searches for rare or nonstandard decays, and discuss the complementary roles played by hadron and lepton colliders.

  10. Top quark physics with CDF

    SciTech Connect

    W. Wagner

    2002-12-13

    In this contributions to the proceedings of the HCP conference I will give a brief overview on the CDF upgrade for Run II relevant to top quark physics analyses. I will discuss the CDF top physics program, with particular emphasis to the search for single top quark production. This includes a review of single top quark analyses in Run I.

  11. Top quark production at CDF

    SciTech Connect

    Moed, Shulamit; /Harvard U.

    2010-01-01

    The large data samples of top quark candidate events collected at the Tevatron CDF II experiment allow for a variety of measurements to analyze the production of the top quark. This article discusses recent results of top quark production at CDF presented at the SUSY09 conference, including updates to the top pair production cross section, forward-backward asymmetry in t{bar t} production, single top search, search for top resonances and a search for heavy top. The discussed measurements utilize up to 3.2 fb{sup -1} of integrated luminosity collected at CDF.

  12. Ten Top Tech Trends

    ERIC Educational Resources Information Center

    McLester, Susan

    2008-01-01

    In this article, the author discusses the major technical issues, products, and practices of the day. The top ten tech trends are listed and discussed. These include: (1) data mining; (2) cyberbullying; (3) 21st century skills; (4) digital content; (5) learning at leisure; (6) personal responders; (7) mobile tools; (8) bandwidth; (9) open-source

  13. Top Hispanic Degree Producers

    ERIC Educational Resources Information Center

    Diverse: Issues in Higher Education, 2012

    2012-01-01

    This article presents a list of the top 100 producers of associate, bachelor's and graduate degrees awarded to minority students based on research conducted by Dr. Victor M.H. Borden, professor of educational leadership and policy students at the Indiana University Bloomington. For the year 2012, the listings focus on Hispanic students. Data for…

  14. Ten Top Tech Trends

    ERIC Educational Resources Information Center

    McLester, Susan

    2008-01-01

    In this article, the author discusses the major technical issues, products, and practices of the day. The top ten tech trends are listed and discussed. These include: (1) data mining; (2) cyberbullying; (3) 21st century skills; (4) digital content; (5) learning at leisure; (6) personal responders; (7) mobile tools; (8) bandwidth; (9) open-source…

  15. Choosing a Top Ten.

    ERIC Educational Resources Information Center

    IUCN Bulletin, 1984

    1984-01-01

    Presents an annotated list of 34 animals and 32 plants which are candidates for a list of the top 10 endangered species. Also presents the criteria used to formulate these lists. They include the conservation value (urgency prominance, biological value) and operational considerations (such as cost factors) for each species. (JN)

  16. Martingale Rosenthal inequalities in symmetric spaces

    SciTech Connect

    Astashkin, S V

    2014-12-31

    We establish inequalities similar to the classical Rosenthal inequalities for sequences of martingale differences in general symmetric spaces; a central role is played here by the predictable quadratic characteristic of a martingale. Bibliography: 26 titles.

  17. Boot top fractures.

    PubMed

    Höflin, F; van der Linden, W

    1976-01-01

    Low transverse fractures of the tibiofibular complex due to ski injuries were formerly virtually unknown but are now met in ever increasing numbers. A series of 126 such fractures occurring in patients 13 years or older was analyzed. The sex and age distributions of these patients were found to differ significantly from those in skiers with other tibial shaft fractures. Among boot top fractures cases, boys younger than 20 years predominated much more than among patients with other fractures of the tibial shaft. In the boot top fracture there is characteristically a backward angulation, which may be combined with a forward displacement of the distal fragment. A simple technique for reduction of this typical deformity is described. According to this technique the surgeon should take a steady grip on the foot held in extreme plantar flexion. By applying strong traction, disimpaction is achieved after which the distal fragment is forced back into position and the fracture is immobilized with the foot in full equinus. This technique was successfully applied in the majority of our cases (112 of 126). Patients with boot top fractures were hospitalized for shorter periods than were skiers with other tibial fractures, and they were able to resume their normal activities much sooner. This held true even when allowance was made for differences in age. During the last few years a new type of boot top fracture has been observed. In this type there is a forward instead of a backward angulation. Its occurrence is most probably related to the new "scoot foot" or "sitting back" technique in downhill skiing. The appearance of this new type of boot top fracture implies that successful prevention can be achieved only with safety bindings that release not only at rotation but also when the skier falls backward. PMID:1256788

  18. Complex symmetric matrices with strongly stable iterates

    NASA Technical Reports Server (NTRS)

    Tadmor, E.

    1985-01-01

    Complex-valued symmetric matrices are studied. A simple expression for the spectral norm of such matrices is obtained, by utilizing a unitarily congruent invariant form. A sharp criterion is provided for identifying those symmetric matrices whose spectral norm is not exceeding one: such strongly stable matrices are usually sought in connection with convergent difference approximations to partial differential equations. As an example, the derived criterion is applied to conclude the strong stability of a Lax-Wendroff scheme.

  19. Symmetric states: Their nonlocality and entanglement

    SciTech Connect

    Wang, Zizhu; Markham, Damian

    2014-12-04

    The nonlocality of permutation symmetric states of qubits is shown via an extension of the Hardy paradox and the extension of the associated inequality. This is achieved by using the Majorana representation, which is also a powerful tool in the study of entanglement properties of symmetric states. Through the Majorana representation, different nonlocal properties can be linked to different entanglement properties of a state, which is useful in determining the usefulness of different states in different quantum information processing tasks.

  20. Lax Operator for Macdonald Symmetric Functions

    NASA Astrophysics Data System (ADS)

    Nazarov, Maxim; Sklyanin, Evgeny

    2015-07-01

    Using the Lax operator formalism, we construct a family of pairwise commuting operators such that the Macdonald symmetric functions of infinitely many variables and of two parameters q, t are their eigenfunctions. We express our operators in terms of the Hall-Littlewood symmetric functions of the variables and of the parameter t corresponding to the partitions with one part only. Our expression is based on the notion of Baker-Akhiezer function.

  1. Top quark physics at CDF

    SciTech Connect

    J. Nielsen

    2004-06-01

    The existence of the top quark, discovered by CDF and D0 in 1995, has been re-established in the burgeoning dataset being collected in Run 2 of the Tevatron at Fermilab. Results from CDF on the top quark production cross section and top quark mass are consistent with the Standard Model expectations. The well-characterized top data samples will make it possible in the future to probe further for new physics in the top quark sector.

  2. Frontispiece: Concise Synthesis and Facile Nanotube Assembly of a Symmetrically Multifunctionalized Cycloparaphenylene.

    PubMed

    Miyauchi, Yuta; Johmoto, Kohei; Yasuda, Nobuhiro; Uekusa, Hidehiro; Fujii, Shintaro; Kiguchi, Manabu; Ito, Hideto; Itami, Kenichiro; Tanaka, Ken

    2015-12-21

    Cycloparaphenylene Organic molecules with a cyclic ?-conjugation, such as cycloparaphenylene (CPP), have attracted much attention because of their fascinating structures, unique properties, and potential applications in materials science. In their Communication on page?18900?ff., K. Tanaka and co-workers report the concise synthesis of C3 -symmetrical [12]CPP-hexacarboxylate by a rhodium-catalyzed macrocyclization. Further, a structurally uniform nanotube assembly was achieved in the crystalline state through multiple hydrogen-bonding interactions between C3 -symmetrical functionalization of CPP and highly polar alkoxycarbonyl groups. PMID:26767466

  3. The Design and Synthesis of Highly Branched and Spherically Symmetric Fluorinated Oils and Amphiles

    PubMed Central

    Jiang, Zhong-Xing; Yu, Y. Bruce

    2007-01-01

    A new emulsifier design principle, based on concepts borrowed from protein science, is proposed. Using this principle, a class of highly branched and spherically symmetric fluorinated oils and amphiles has been designed and synthesized, for potential applications in the construction of fluorocarbon nanoparticles. The Mitsunobu reaction was employed as the key step for introducing three perfluoro-tert-butoxyl groups into pentaerythritol derivatives with excellent yields and extremely simple isolation procedures. Due to the symmetric arrangement of the fluorine atoms, each fluorinated oil or amphile molecule gives one sharp singlet 19F NMR signal. PMID:18461118

  4. The Design and Synthesis of Highly Branched and Spherically Symmetric Fluorinated Oils and Amphiles.

    PubMed

    Jiang, Zhong-Xing; Yu, Y Bruce

    2007-05-01

    A new emulsifier design principle, based on concepts borrowed from protein science, is proposed. Using this principle, a class of highly branched and spherically symmetric fluorinated oils and amphiles has been designed and synthesized, for potential applications in the construction of fluorocarbon nanoparticles. The Mitsunobu reaction was employed as the key step for introducing three perfluoro-tert-butoxyl groups into pentaerythritol derivatives with excellent yields and extremely simple isolation procedures. Due to the symmetric arrangement of the fluorine atoms, each fluorinated oil or amphile molecule gives one sharp singlet (19)F NMR signal. PMID:18461118

  5. Symmetric tensor decomposition description of fermionic many-body wave functions.

    PubMed

    Uemura, Wataru; Sugino, Osamu

    2012-12-21

    The configuration interaction (CI) is a versatile wave function theory for interacting fermions, but it involves an extremely long CI series. Using a symmetric tensor decomposition method, we convert the CI series into a compact and numerically tractable form. The converted series encompasses the Hartree-Fock state in the first term and rapidly converges to the full-CI state, as numerically tested by using small molecules. Provided that the length of the symmetric tensor decomposition CI series grows only moderately with the increasing complexity of the system, the new method will serve as one of the alternative variational methods to achieve full CI with enhanced practicability. PMID:23368456

  6. The Similarity Relations Set on the Basis of Symmetrization of the Liquid-Vapor Phase Diagram.

    PubMed

    Apfelbaum, E M; Vorob'ev, V S

    2015-07-01

    An approach to symmetrize the liquid-vapor phase coexistence curve is proposed. It is based on the introduction of the lattice-like density x = ?1/(?1 + ?2), where ?1 and ?2 are the densities along the liquid-gas binodal. The global symmetrical phase diagram is created using experimental and simulation data for the real substances and models (noble gases, polyatomic molecules, organic substances and two metals, van der Waals system, Lennard-Jones system). The pressure and the temperature along the binodal are shown to satisfy some new similarity relations. PMID:26039358

  7. Edge charge asymmetry in top pair production at the LHC

    SciTech Connect

    Xiao Bo; Wang Youkai; Zhou Zhongqiu; Zhu Shouhua

    2011-03-01

    In this brief report, we propose a new definition of charge asymmetry in top pair production at the LHC, namely, the edge charge asymmetry (ECA). ECA utilizes the information of drifting direction only for single top (or antitop) with hadronic decay. Therefore, ECA can be free from the uncertainty arising from the missing neutrino in the tt event reconstruction. Moreover, rapidity Y of top (or antitop) is required to be greater than a critical value Y{sub C} in order to suppress the symmetric tt events mainly due to the gluon-gluon fusion process. In this paper, ECA is calculated up to next-to-leading order QCD in the standard model and the choice of the optimal Y{sub C} is investigated.

  8. Top of the hill.

    PubMed

    Lubell, Jennifer

    2009-08-24

    With healthcare reform the hottest topic in Washington (and at congressional town halls) this summer, it's no surprise President Barack Obama tops our 100 Most Powerful People in Healthcare ranking, joined by plenty of other power players on the Hill. "Clearly, the president is pushing hard on his goals to expand access to care, to reform health insurance and to control costs," says LifePoint's Bill Carpenter. PMID:19731430

  9. Symmetric Galerkin boundary formulations employing curved elements

    NASA Technical Reports Server (NTRS)

    Kane, J. H.; Balakrishna, C.

    1993-01-01

    Accounts of the symmetric Galerkin approach to boundary element analysis (BEA) have recently been published. This paper attempts to add to the understanding of this method by addressing a series of fundamental issues associated with its potential computational efficiency. A new symmetric Galerkin theoretical formulation for both the (harmonic) heat conduction and the (biharmonic) elasticity problem that employs regularized singular and hypersingular boundary integral equations (BIEs) is presented. The novel use of regularized BIEs in the Galerkin context is shown to allow straightforward incorporation of curved, isoparametric elements. A symmetric reusable intrinsic sample point (RISP) numerical integration algorithm is shown to produce a Galerkin (i.e., double) integration strategy that is competitive with its counterpart (i.e., singular) integration procedure in the collocation BEA approach when the time saved in the symmetric equation solution phase is also taken into account. This new formulation is shown to be capable of employing hypersingular BIEs while obviating the requirement of C 1 continuity, a fact that allows the employment of the popular continuous element technology. The behavior of the symmetric Galerkin BEA method with regard to both direct and iterative equation solution operations is also addressed. A series of example problems are presented to quantify the performance of this symmetric approach, relative to the more conventional unsymmetric BEA, in terms of both accuracy and efficiency. It is concluded that appropriate implementations of the symmetric Galerkin approach to BEA indeed have the potential to be competitive with, if not superior to, collocation-based BEA, for large-scale problems.

  10. Symmetry-Based Techniques for Qualitative Understanding of Rovibrational Effects in Spherical-Top Molecular Spectra and Dynamics

    NASA Astrophysics Data System (ADS)

    Mitchell, Justin Chadwick

    2011-12-01

    Using light to probe the structure of matter is as natural as opening our eyes. Modern physics and chemistry have turned this art into a rich science, measuring the delicate interactions possible at the molecular level. Perhaps the most commonly used tool in computational spectroscopy is that of matrix diagonalization. While this is invaluable for calculating everything from molecular structure and energy levels to dipole moments and dynamics, the process of numerical diagonalization is an opaque one. This work applies symmetry and semi-classical techniques to elucidate numerical spectral analysis for high-symmetry molecules. Semi-classical techniques, such as the Potential Energy Surfaces, have long been used to help understand molecular vibronic and rovibronic spectra and dynamics. This investigation focuses on newer semi-classical techniques that apply Rotational Energy Surfaces (RES) to rotational energy level clustering effects in high-symmetry molecules. Such clusters exist in rigid rotor molecules as well as deformable spherical tops. This study begins by using the simplicity of rigid symmetric top molecules to clarify the classical-quantum correspondence of RES semi-classical analysis and then extends it to a more precise and complete theory of modern high-resolution spectra. RES analysis is extended to molecules having more complex and higher rank tensorial rotational and rovibrational Hamiltonians than were possible to understand before. Such molecules are shown to produce an extraordinary range of rotational level clusters, corresponding to a panoply of symmetries ranging from C4v to C2 and C1 (no symmetry) with a corresponding range of new angular momentum localization and J-tunneling effects. Using RES topography analysis and the commutation duality relations between symmetry group operators in the lab-frame to those in the body-frame, it is shown how to better describe and catalog complex splittings found in rotational level clusters. Symmetry character analysis is generalized to give analytic eigensolutions. An appendix provides vibrational analogies. For the first time, interactions between molecular vibrations (polyads) are described semi-classically by multiple RES. This is done for the nu 3/2nu4 dyad of CF4. The nine-surface RES topology of the U(9)-dyad agrees with both computational and experimental work. A connection between this and a simpler U(2) example is detailed in an Appendix.

  11. 7. DETAIL VIEW OF TOP CHORD AND TOP CHORD CONNECTION ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    7. DETAIL VIEW OF TOP CHORD AND TOP CHORD CONNECTION - Springfield-Des Arc Bridge, Spanning North Branch of Cadron Creek at Old Springfield-Des Arc Road (County Road 222), Springfield, Conway County, AR

  12. 22. Top Lateral Bracing & Top Chord, Vertical Tension Member ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    22. Top Lateral Bracing & Top Chord, Vertical Tension Member 6, end Vertical Compression Members 5 & 4; South Swing Span; looking N. - Pacific Shortline Bridge, U.S. Route 20,spanning Missouri River, Sioux City, Woodbury County, IA

  13. Cloud top entrainment instability and cloud top distributions

    NASA Technical Reports Server (NTRS)

    Boers, Reinout; Spinhirne, James D.

    1990-01-01

    Classical cloud-top entrainment instability condition formulation is discussed. A saturation point diagram is used to investigate the details of mixing in cases where the cloud-top entrainment instability criterion is satisfied.

  14. Top quark physics at CDF

    SciTech Connect

    Nielsen, Jason

    2004-04-30

    The existence of the top quark, discovered by CDF and D0 in 1995, has been re-established in the burgeoning dataset being collected in Run 2 of the Tevatron at Fermilab. Results from CDF on the top quark production cross section and top quark mass are consistent with the Standard Model expectations. The well-characterized top data samples will make it possible in the future to probe further for new physics in the top quark sector. This report summarizes recent CDF top quark physics results.

  15. Methyl isothiocyanate as a quasi-symmetric top. A reinterpretation of the microwave spectrum

    NASA Astrophysics Data System (ADS)

    Kr?glewski, Marek

    1984-12-01

    The skeletal bendinginternal rotation potential function for CH 3NCS has been determined from the microwave spectrum which gives the height of the barrier to linearity at 209 cm -1 and the CNC equilibrium angle at 27.5. An accidental near-resonance between the 2 0 and 3 3 skeletal bending states is found.

  16. Dynamic magnetic resonance line shapes in a symmetric threefold potential

    NASA Astrophysics Data System (ADS)

    Zamir, S.; Poupko, R.; Luz, Z.; Alexander, S.

    1991-05-01

    A method for calculation of dynamic nuclear magnetic resonance (NMR) line shapes of molecules undergoing reorientation diffusion about a single rotation axis in a symmetric threefold potential is developed using the general theory of Freed. The method is used to calculate deuterium NMR spectra of molecules undergoing reorientational diffusion in a model potential of the form V(?)=-V0 cos 3?, as a function of the diffusion constant DR, and the potential strength V0. It is found that for V0 smaller than kT the resulting line shapes are very similar to those obtained in a potential-free diffusion. When V0>kT the uneven distribution of the molecules and the hindering effect of the potential barrier have significant effects on the line shape. In this region two distinct motional effects of the diffusion process are observed: (i) At low DR values molecular diffusion within the potential wells results in averaging of the local distribution and consequently to line narrowing. (ii) At sufficiently high DR values diffusion between the potential wells results in lifetime broadening effects similar to those observed in jump processes. Relations between the diffusion constants and the discrete jump rates are discussed.

  17. Electronic transport through single molecules: effects of strain and contacts

    NASA Astrophysics Data System (ADS)

    Chacham, Helio; Batista, Ronaldo; Mazzoni, Mario; Garzon, Ignacio; Beltran, Marcela; Ordejon, Pablo; Artacho, Emilio

    2007-03-01

    We will present theoretical investigations on single-molecule electron transport. We will focus on the following systems: a) Connected Au nanoparticles: we performed a first principles study [1] of the electronic properties of lattices of Au nanoparticles functionalized by the conjugated molecules BDMT and BDCT. Distinct behaviors of the electron hopping matrix elements between particles as a function of compression are predicted for functionalized lattices. b) Current rectification with symmetric molecules: In an interesting experiment, Reichet et al. [2] measured the current through symmetric organic molecules and obtained asymmetric IV curves when the Au contacts are pulled apart. We show, by means of first-principles calculations, that this effect can originate from the formation of small Au chains between the molecule and the Au surfaces in an asymmetric way. [1] R. J. C. Batista et al, Phys. Rev. Lett. 96, 116802 (2006). [2] J. Reichet et al., Phys. Rev. Lett. 88, 176804 (2002).

  18. Synthesis and physical properties of symmetrical and non-symmetrical triacylglycerols containing two palmitic fatty acids

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Both the amounts of and specific structures of the triacylglycerols (TAG) present in the oil phase of a margarine or spread are considered responsible for such properties as its spreadability, resistance to water/oil loss, and melting characteristics. A series of symmetrical and non-symmetrical TAG...

  19. Symmetric and anti-symmetric LS hyperon potentials from lattice QCD

    NASA Astrophysics Data System (ADS)

    Ishii, Noriyoshi; Murano, Keiko; Nemura, Hidekatsu; Sasaki, Kenji; Inoue, Takashi; HAL QCD Collaboration

    2014-09-01

    We present recent results of odd-parity hyperon-hyperon potentials from lattice QCD. By using HAL QCD method, we generate hyperon-hyperon potentials from Nambu-Bethe-Salpeter (NBS) wave functions generated by lattice QCD simulation in the flavor SU(3) limit. Potentials in the irreducible flavor SU(3) representations are combined to make a Lambda-N potential which has a strong symmetric LS potential and a weak anti-symmetric LS potential. We discuss a possible cancellation between symmetric and anti-symmetric LS (Lambda-N) potentials after the coupled Sigma-N sector is integrated out. We present recent results of odd-parity hyperon-hyperon potentials from lattice QCD. By using HAL QCD method, we generate hyperon-hyperon potentials from Nambu-Bethe-Salpeter (NBS) wave functions generated by lattice QCD simulation in the flavor SU(3) limit. Potentials in the irreducible flavor SU(3) representations are combined to make a Lambda-N potential which has a strong symmetric LS potential and a weak anti-symmetric LS potential. We discuss a possible cancellation between symmetric and anti-symmetric LS (Lambda-N) potentials after the coupled Sigma-N sector is integrated out. This work is supported by JSPS KAKENHI Grant Number 25400244.

  20. Symmetrical and unsymmetrical ?,?-nucleobase amide-conjugated systems

    PubMed Central

    Boncel, S?awomir; M?czka, Maciej; Koziol, Krzysztof K K; Motyka, Rados?aw

    2010-01-01

    Summary We present the synthesis and selected physicochemical properties of several novel symmetrical and unsymmetrical ?,?-nucleobase mono- and bis-amide conjugated systems containing aliphatic, aromatic or saccharidic linkages. The final stage of the synthesis involves condensation of a subunit bearing carboxylic group with an amine subunit. 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride (DMT-MM) was found to be a particularly effective condensing agent. The subunits containing carboxylic groups were obtained by acidic hydrolysis of N-1 Michael adducts of uracils or N-9 Michael adducts of 6-chloropurine with methyl acrylate. The amines used were aliphatic/aromatic diamines, adenine, 5-substituted 1-(?-aminoalkyl)uracils and 5?-amino-2?,5?-dideoxythymidine. The title compounds may find application as antiprotozoal agents. Moreover, preliminary microscopy TEM studies of supramolecular behaviour showed that target molecules with bolaamphiphilic structures were capable of forming highly ordered assemblies, mainly nanofibres. PMID:20502605

  1. CAST: Contraction Algorithm for Symmetric Tensors

    SciTech Connect

    Rajbhandari, Samyam; NIkam, Akshay; Lai, Pai-Wei; Stock, Kevin; Krishnamoorthy, Sriram; Sadayappan, Ponnuswamy

    2014-09-22

    Tensor contractions represent the most compute-intensive core kernels in ab initio computational quantum chemistry and nuclear physics. Symmetries in these tensor contractions makes them difficult to load balance and scale to large distributed systems. In this paper, we develop an efficient and scalable algorithm to contract symmetric tensors. We introduce a novel approach that avoids data redistribution in contracting symmetric tensors while also avoiding redundant storage and maintaining load balance. We present experimental results on two parallel supercomputers for several symmetric contractions that appear in the CCSD quantum chemistry method. We also present a novel approach to tensor redistribution that can take advantage of parallel hyperplanes when the initial distribution has replicated dimensions, and use collective broadcast when the final distribution has replicated dimensions, making the algorithm very efficient.

  2. Communication-avoiding symmetric-indefinite factorization

    DOE PAGESBeta

    Ballard, Grey Malone; Becker, Dulcenia; Demmel, James; Dongarra, Jack; Druinsky, Alex; Peled, Inon; Schwartz, Oded; Toledo, Sivan; Yamazaki, Ichitaro

    2014-11-13

    We describe and analyze a novel symmetric triangular factorization algorithm. The algorithm is essentially a block version of Aasen's triangular tridiagonalization. It factors a dense symmetric matrix A as the product A=PLTLTPT where P is a permutation matrix, L is lower triangular, and T is block tridiagonal and banded. The algorithm is the first symmetric-indefinite communication-avoiding factorization: it performs an asymptotically optimal amount of communication in a two-level memory hierarchy for almost any cache-line size. Adaptations of the algorithm to parallel computers are likely to be communication efficient as well; one such adaptation has been recently published. As a result,more » the current paper describes the algorithm, proves that it is numerically stable, and proves that it is communication optimal.« less

  3. On symmetric and upwind TVD schemes

    NASA Technical Reports Server (NTRS)

    Yee, H. C.

    1985-01-01

    A class of explicit and implicit total variation diminishing (TVD) schemes for the compressible Euler and Navier-Stokes equations was developed. They do not generate spurious oscillations across shocks and contact discontinuities. In general, shocks can be captured within 1 to 2 grid points. For the inviscid case, these schemes are divided into upwind TVD schemes and symmetric (nonupwind) TVD schemes. The upwind TVD scheme is based on the second-order TVD scheme. The symmetric TVD scheme is a generalization of Roe's and Davis' TVD Lax-Wendroff scheme. The performance of these schemes on some viscous and inviscid airfoil steady-state calculations is investigated. The symmetric and upwind TVD schemes are compared.

  4. Communication-avoiding symmetric-indefinite factorization

    SciTech Connect

    Ballard, Grey Malone; Becker, Dulcenia; Demmel, James; Dongarra, Jack; Druinsky, Alex; Peled, Inon; Schwartz, Oded; Toledo, Sivan; Yamazaki, Ichitaro

    2014-11-13

    We describe and analyze a novel symmetric triangular factorization algorithm. The algorithm is essentially a block version of Aasen's triangular tridiagonalization. It factors a dense symmetric matrix A as the product A=PLTLTPT where P is a permutation matrix, L is lower triangular, and T is block tridiagonal and banded. The algorithm is the first symmetric-indefinite communication-avoiding factorization: it performs an asymptotically optimal amount of communication in a two-level memory hierarchy for almost any cache-line size. Adaptations of the algorithm to parallel computers are likely to be communication efficient as well; one such adaptation has been recently published. As a result, the current paper describes the algorithm, proves that it is numerically stable, and proves that it is communication optimal.

  5. Top physics results at CDF

    SciTech Connect

    Vickey, Trevor; /Illinois U., Urbana

    2005-05-01

    The most recent results on top quark physics at CDF are reported. Measurements of cross-section and mass are presented, and the status of single top quark production searches are discussed. The results obtained from probing various top quark properties are also presented.

  6. Top quark physics: Future Measurements

    SciTech Connect

    Frey, Raymond; Gerdes, David; Jaros, John; Vejcik, Steve; Berger, Edmond L.; Chivukula, R. Sekhar; Cuypers, Frank; Drell, Persis S.; Fero, Michael; Hadley, Nicholas; Han, Tao; Heinson, Ann P.; Knuteson, Bruce; Larios, Francisco; Miettinen, Hannu; Orr, Lynne H.; Peskin, Michael E.; Rizzo, Thomas; Sarid, Uri; Schmidt, Carl; Stelzer, Tim; Sullivan, Zack

    1996-12-31

    We discuss the study of the top quark at future experiments and machines. Top's large mass makes it a unique probe of physics at the natural electroweak scale. We emphasize measurements of the top quark's mass, width, and couplings, as well as searches for rare or nonstandard decays, and discuss the complementary roles played by hadron and lepton colliders.

  7. All-optical symmetric ternary logic gate

    NASA Astrophysics Data System (ADS)

    Chattopadhyay, Tanay

    2010-09-01

    Symmetric ternary number (radix=3) has three logical states (1, 0, 1). It is very much useful in carry free arithmetical operation. Beside this, the logical operation using this type of number system is also effective in high speed computation and communication in multi-valued logic. In this literature all-optical circuits for three basic symmetrical ternary logical operations (inversion, MIN and MAX) are proposed and described. Numerical simulation verifies the theoretical model. In this present scheme the different ternary logical states are represented by different polarized state of light. Terahertz optical asymmetric demultiplexer (TOAD) based interferometric switch has been used categorically in this manuscript.

  8. Symmetric and irregular aromatic silicon nanoclusters

    NASA Astrophysics Data System (ADS)

    Vach, Holger

    2014-10-01

    Based on first-principles calculations, we predict the existence of two classes of aromatic hydrogenated silicon nanoclusters. Despite their completely different structure, they both exhibit quite comparable physical and chemical properties due to the common presence of overcoordinated silicon atoms inducing extensive electron delocalization. Due to a complex interplay between strain relaxation and aromatic stabilization, apparently ill-defined nanoclusters might sometimes turn out to be more stable than their symmetric counterparts. Both symmetric and irregular aromatic silicon nanoclusters are extremely stable at ambient conditions and might readily find applications in future nano-technological devices.

  9. On symmetric and upwind TVD schemes

    NASA Technical Reports Server (NTRS)

    Yee, H. C.

    1986-01-01

    The performance of the upwind and symmetric total variation diminishing (TVD) schemes in viscous and inviscid airfoil steady-state calculations is considered, and the extension of the implicit second-order-accurate TVD scheme for hyperbolic systems of conservative laws in curvilinear coordinates is discussed. For two-dimensional steady-state applications, schemes are implemented in a conservative noniterative alternating direction implicit form, and results illustrate that the algorithm produces a fairly good solution for an RAE2822 airfoil calculation. The study demonstrates that the symmetric TVD scheme is as accurate as the upwind TVD scheme, while requiring less computational effort than it.

  10. Self-bending symmetric cusp beams

    NASA Astrophysics Data System (ADS)

    Gong, Lei; Liu, Wei-Wei; Ren, Yu-Xuan; Lu, Yao; Li, Yin-Mei

    2015-12-01

    A type of self-bending symmetric cusp beams with four accelerating intensity maxima is theoretically and experimentally presented. Distinguished from the reported regular polygon beams, the symmetric cusp beams simultaneously exhibit peculiar features of natural autofocusing and self-acceleration during propagation. Further, such beams take the shape of a fine longitudinal needle-like structure at the focal region and possess the strong ability of self-healing over obstacles. All these intriguing properties were verified experimentally. Particularly, the spatial profile of the reconstructed beam exhibits spatially sculpted optical structure with four siamesed curved arms. Thus, we anticipate that the structured beam will benefit optical guiding and optofluidics in surprising ways.

  11. Observational tests of Baryon symmetric cosmology

    NASA Technical Reports Server (NTRS)

    Stecker, F. W.

    1982-01-01

    Observational evidence for Baryon symmetric (matter/antimatter) cosmology and future observational tests are reviewed. The most significant consequences of Baryon symmetric cosmology lie in the prediction of an observable cosmic background of gamma radiation from the decay of pi(0)-mesons produced in nucleon-antinucleon annihilations. Equations for the prediction of the amma ray background spectrum for the case of high redshifts are presented. The theoretical and observational plots of the background spectrum are shown to be in good agreement. Measurement of cosmic ray antiprotons and the use of high energy neutrino astronomy to look for antimatter elsewhere in the universe are also addressed.

  12. PT-symmetric scatterers (Presentation Recording)

    NASA Astrophysics Data System (ADS)

    Miri, Mohammad-Ali; Nye, Nicholas; Khajavikhan, Mercedeh; Christodoulides, Demetrios N.

    2015-09-01

    Parity-time (PT) symmetric complex structures can exhibit peculiar properties which are otherwise unattainable in traditional Hermitian systems. This is achieved by judiciously involving balanced regions of gain and loss. Here we investigate the scattering properties of PT-symmetric diffraction gratings. The presence of the imaginary potential can modify the light transport properties in their far field. This is an outcome of a local power flow taking place between the gain and loss regions in the near field. We show that for a certain gain/loss contrast, all the negative diffraction orders can be eliminated while the positive diffraction orders can be amplified.

  13. Multipartite maximally entangled states in symmetric scenarios

    NASA Astrophysics Data System (ADS)

    Gonzlez-Guilln, Carlos E.

    2012-08-01

    We consider the class of (N+1)-partite states suitable for protocols where there is a powerful party, the authority, and the other N parties play the same role, namely, the state of their system lies in the symmetric Hilbert space. We show that, within this scenario, there is a maximally entangled state that can be transform by a local operations and classical communication protocol into any other state. In addition, we show how to use the protocol efficiently, including the construction of the state, and discuss security issues for possible applications to cryptographic protocols. As an immediate consequence we recover a sequential protocol that implements the 1-to-N symmetric cloning.

  14. Mind Molecules

    PubMed Central

    Snyder, Solomon H.

    2011-01-01

    Scientific styles vary tremendously. For me, research is largely about the unfettered pursuit of novel ideas and experiments that can test multiple ideas in a day, not a year, an approach that I learned from my mentor Julius Julie Axelrod. This focus on creative conceptualizations has been my mtier since working in the summers during medical school at the National Institutes of Health, during my two years in the Axelrod laboratory, and throughout my forty-five years at Johns Hopkins University School of Medicine. Equally important has been the high that emerges from brainstorming with my students. Nothing can compare with the eureka moments when, together, we sense new insights and, better yet, when high-risk, high-payoff experiments succeed. Although I have studied many different questions over the years, a common theme emerges: simple biochemical approaches to understanding molecular messengers, usually small molecules. Equally important has been identifying, purifying, and cloning the messengers' relevant biosynthetic, degradative, or target proteins, at all times seeking potential therapeutic relevance in the form of drugs. In the interests of brevity, this Reflections article is highly selective, and, with a few exceptions, literature citations are only of findings of our laboratory that illustrate notable themes. PMID:21543333

  15. Top quark mass measurements

    SciTech Connect

    L. Cerrito

    2004-07-16

    Preliminary results on the measurement of the top quark mass at the Tevatron Collider are presented. In the dilepton decay channel, the CDF Collaboration measures m{sub t} = 175.0{sub -16.9}{sup +17.4}(stat.){+-}8.4(syst.) GeV/c{sup 2}, using a sample of {approx} 126 pb{sup -1} of proton-antiproton collision data at {radical}s = 1.96 TeV (Run II). In the lepton plus jets channel, the CDF Collaboration measures 177.5{sub -9.4}{sup +12.7}(stat.) {+-} 7.1(syst.) GeV/c{sup 2}, using a sample of {approx} 102 pb{sup -1} at {radical}s = 1.96 TeV. The D0 Collaboration has newly applied a likelihood technique to improve the analysis of {approx} 125 pb{sup -1} of proton-antiproton collisions at {radical}s = 1.8 TeV (Run I), with the result: m{sub t} = 180.1 {+-} 3.6(stat.) {+-}3.9(syst.) GeV/c{sup 2}. The latter is combined with all the measurements based on the data collected in Run I to yield the most recent and comprehensive experimental determination of the top quark mass: m{sub t} = 178.0 {+-} 2.7(stat.) {+-} 3.3(syst.) GeV/c{sup 2}.

  16. Staircase patterns of nuclear fluxes during coherent tunneling in excited doublets of symmetric double well potentials.

    PubMed

    Liu, ChunMei; Manz, Jrn; Yang, Yonggang

    2016-02-01

    Tunneling isomerization of molecules with symmetric double well potentials are associated with periodic nuclear fluxes, from the reactant R to the product P and back to R. Halfway between R and P the fluxes achieve their maximum values at the potential barrier. For molecules in the lowest tunneling doublet (v = 0) the rises and falls to and from the maximum values are approximately bell-shaped. Upon excitation to higher tunneling doublets v = 1, 2, etc., however, this shape is replaced by symmetric "staircase patterns" of the fluxes, with v + 1 stepping up and down in the domains of R and P, respectively. The quantum derivation of the phenomenon is universal. It is demonstrated here for a simple model of nuclear fluxes during tunneling isomerization of ammonia along the umbrella inversion mode, with application to separation of isotopomers. PMID:26811961

  17. Top quark physics at CDF

    SciTech Connect

    Potamianos, Karolos

    2011-12-01

    We present the recent results of top-quark physics using up to 6 fb{sup -1} of p{bar p} collisions analyzed by the CDF collaboration. The large number of top quark events analyzed, of the order of several thousands, allows stringent checks of the standard model predictions. Also, the top quark is widely believed to be a window to new physics. We present the latest measurements of top quark intrinsic properties as well as direct searches for new physics in the top sector.

  18. Molecular theory for self assembling mixtures of patchy colloids and colloids with spherically symmetric attractions: The single patch case

    NASA Astrophysics Data System (ADS)

    Marshall, Bennett D.; Chapman, Walter G.

    2013-09-01

    In this work we develop a new theory to model self assembling mixtures of single patch colloids and colloids with spherically symmetric attractions. In the development of the theory we restrict the interactions such that there are short ranged attractions between patchy and spherically symmetric colloids, but patchy colloids do not attract patchy colloids and spherically symmetric colloids do not attract spherically symmetric colloids. This results in the temperature, density, and composition dependent reversible self assembly of the mixture into colloidal star molecules. This type of mixture has been recently synthesized by grafting of complimentary single stranded DNA [L. Feng, R. Dreyfus, R. Sha, N. C. Seeman, and P. M. Chaikin, Adv. Mater. 25(20), 2779-2783 (2013)], 10.1002/adma.201204864. As a quantitative test of the theory, we perform new monte carlo simulations to study the self assembly of these mixtures; theory and simulation are found to be in excellent agreement.

  19. Designing new symmetrical facial oligothiophene amphiphiles.

    PubMed

    Janeliunas, Dainius; Eelkema, Rienk; Nieto-Ortega, Beln; Ramrez Aguilar, Francisco J; Lpez Navarrete, Juan T; van der Mee, Lars; Stuart, Marc C A; Casado, Juan; van Esch, Jan H

    2013-12-28

    In this study we designed a new class of symmetrical facial oligothiophene amphiphiles, which could be obtained in fewer steps than for previously reported analogues, but still possess the specific substituent sequence to control their backbone curvature. This novel design allows the late-stage introduction of hydrophilic groups, aiding both purification and ease of structure variation. Following the new synthetic scheme, symmetrical ter- and sexi-thiophenes were synthesized, analysed and their properties were compared to their non-symmetrical analogues. Surprisingly, the self-assembly behaviour in water, aggregate morphologies and photo-physical properties turned out to be significantly different despite the same ratio of hydrophilic and hydrophobic substituents. The new substitution pattern resulted in a drastic decrease of the critical aggregation concentration and an increase of the aggregate size. The symmetrical positioning of the substituents also heavily influenced the photo-physical properties. The changes were observed as large blue shifts in the absorption and emission spectra in water when compared to similar regio-regular oligothiophene amphiphiles. PMID:24196136

  20. Super-symmetric informationally complete measurements

    NASA Astrophysics Data System (ADS)

    Zhu, Huangjun

    2015-11-01

    Symmetric informationally complete measurements (SICs in short) are highly symmetric structures in the Hilbert space. They possess many nice properties which render them an ideal candidate for fiducial measurements. The symmetry of SICs is intimately connected with the geometry of the quantum state space and also has profound implications for foundational studies. Here we explore those SICs that are most symmetric according to a natural criterion and show that all of them are covariant with respect to the Heisenberg-Weyl groups, which are characterized by the discrete analog of the canonical commutation relation. Moreover, their symmetry groups are subgroups of the Clifford groups. In particular, we prove that the SIC in dimension 2, the Hesse SIC in dimension 3, and the set of Hoggar lines in dimension 8 are the only three SICs up to unitary equivalence whose symmetry groups act transitively on pairs of SIC projectors. Our work not only provides valuable insight about SICs, Heisenberg-Weyl groups, and Clifford groups, but also offers a new approach and perspective for studying many other discrete symmetric structures behind finite state quantum mechanics, such as mutually unbiased bases and discrete Wigner functions.

  1. Cylindrically symmetric solutions in conformal gravity

    SciTech Connect

    Brihaye, Y.; Verbin, Y.

    2010-06-15

    Cylindrically symmetric solutions in conformal gravity are investigated and several new solutions are presented and discussed, among them a family of vacuum solutions, generalizations of the Melvin solution, and cosmic strings of the Abelian Higgs model. The Melvin-like solutions have finite energy per unit length, while the stringlike solutions do not.

  2. Symmetric irrotational water waves are traveling waves

    NASA Astrophysics Data System (ADS)

    Kogelbauer, Florian

    2015-11-01

    We show that a spatially periodic solution to the irrotational two-dimensional gravity water wave problem, with the property that the horizontal velocity component at the surface, as well as the wave profile is symmetric, necessarily defines a traveling wave. The proof makes use of maximum principles for harmonic functions and structural properties of the governing equations for nonlinear water waves.

  3. Symmetrical parametrizations of the lepton mixing matrix

    SciTech Connect

    Rodejohann, W.; Valle, J. W. F.

    2011-10-01

    Advantages of the original symmetrical form of the parametrization of the lepton mixing matrix are discussed. It provides a conceptually more transparent description of neutrino oscillations and lepton number violating processes like neutrinoless double beta decay, clarifying the significance of Dirac and Majorana phases. It is also ideal for parametrizing scenarios with light sterile neutrinos.

  4. Massive NGT and spherically symmetric systems

    NASA Astrophysics Data System (ADS)

    Clayton, M. A.

    1996-01-01

    The arguments leading to the introduction of the massive Nonsymmetric Gravitational action are reviewed [J. W. Moffat, J. Math. Phys. 36, 3722 (1995), Phys. Lett. B 355, 447 (1995)], leading to an action that gives asymptotically well-behaved perturbations on General Relativity (GR) backgrounds. Through the analysis of spherically symmetric perturbations about GR (Schwarzschild) and Nonsymmetric Gravitational Theory (NGT) (Wyman-type) static backgrounds, it is shown that spherically symmetric systems are not guaranteed to be static, and hence Birkhoff's theorem is not valid in NGT. This implies that in general one must consider time dependent exteriors when looking at spherically symmetric systems in NGT. For the surviving monopole mode considered here there is no energy flux as it is short ranged by construction. Further work on the spherically symmetric case will be motivated through a discussion of the possibility that there remain additional modes that do not show up in weak field situations, but nonetheless exist in the full theory and may again result in bad global asymptotics. A presentation of the action and field equations in a general frame is given in the course of the paper, providing an alternative approach to dealing with the algebraic complications inherent in NGT, as well as offering a more general framework for discussing the physics of the antisymmetric sector.

  5. The deuterium puzzle in the symmetric universe

    NASA Technical Reports Server (NTRS)

    Leroy, B.; Nicolle, J. P.; Schatzman, E.

    1973-01-01

    An attempt was made to use deuterium abundance in the symmetric universe to prove that no nucleosynthesis takes place during annihilation and therefore neutrons were loss before nucleosynthesis. Data cover nucleosynthesis during the radiative era, cross section estimates, maximum abundance of He-4 at the end of nucleosynthesis area, and loss rate.

  6. On integrability of strings on symmetric spaces

    NASA Astrophysics Data System (ADS)

    Wulff, Linus

    2015-09-01

    In the absence of NSNS three-form flux the bosonic string on a symmetric space is described by a symmetric space coset sigma-model. Such models are known to be classically integrable. We show that the integrability extends also to cases with non-zero NSNS flux (respecting the isometries) provided that the flux satisfies a condition of the form H abc H cde R abde . We then turn our attention to the type II Green-Schwarz superstring on a symmetric space. We prove that if the space preserves some supersymmetry there exists a truncation of the full superspace to a supercoset space and derive the general form of the superisometry algebra. In the case of vanishing NSNS flux the corresponding supercoset sigma-model for the string is known to be integrable. We prove that the integrability extends to the full string by augmenting the supercoset Lax connection with terms involving the fermions which are not captured by the supercoset model. The construction is carried out to quadratic order in these fermions. This proves the integrability of strings on symmetric spaces supported by RR flux which preserve any non-zero amount of supersymmetry. Finally we also construct Lax connections for some supercoset models with non-zero NSNS flux describing strings in AdS 2,3 S 2,3 S 2,3 T 2,3,4 backgrounds preserving eight supersymmetries.

  7. Conformal cylindrically symmetric spacetimes in modified gravity

    NASA Astrophysics Data System (ADS)

    Trkoglu, Murat Metehan; Dogru, Melis Ulu

    2015-11-01

    We investigate cylindrically symmetric spacetimes in the context of f(R) gravity. We firstly attain conformal symmetry of the cylindrically symmetric spacetime. We obtain solutions to use features of the conformal symmetry, field equations and their solutions for cylindrically symmetric spacetime filled with various cosmic matters such as vacuum state, perfect fluid, anisotropic fluid, massive scalar field and their combinations. With the vacuum state solutions, we show that source of the spacetime curvature is considered as Casimir effect. Casimir force for given spacetime is found using Walds axiomatic analysis. We expose that the Casimir force for Boulware, Hartle-Hawking and Unruh vacuum states could have attractive, repulsive and ineffective features. In the perfect fluid state, we show that matter form of the perfect fluid in given spacetime must only be dark energy. Also, we offer that potential of massive and massless scalar field are developed as an exact solution from the modified field equations. All solutions of field equations for vacuum case, perfect fluid and scalar field give a special f(R) function convenient to ?-CDM model. In addition to these solutions, we introduce conformal cylindrical symmetric solutions in the cases of different f(R) models. Finally, geometrical and physical results of the solutions are discussed.

  8. Complex PT-symmetric nonlinear Schrdinger equation and Burgers equation.

    PubMed

    Yan, Zhenya

    2013-04-28

    The complex -symmetric nonlinear wave models have drawn much attention in recent years since the complex -symmetric extensions of the Korteweg-de Vries (KdV) equation were presented in 2007. In this review, we focus on the study of the complex -symmetric nonlinear Schrdinger equation and Burgers equation. First of all, we briefly introduce the basic property of complex symmetry. We then report on exact solutions of one- and two-dimensional nonlinear Schrdinger equations (known as the Gross-Pitaevskii equation in Bose-Einstein condensates) with several complex -symmetric potentials. Finally, some complex -symmetric extension principles are used to generate some complex -symmetric nonlinear wave equations starting from both -symmetric (e.g. the KdV equation) and non- -symmetric (e.g. the Burgers equation) nonlinear wave equations. In particular, we discuss exact solutions of some representative ones of the complex -symmetric Burgers equation in detail. PMID:23509385

  9. "Super"--Dilatation Symmetry of the Top-Higgs System

    NASA Astrophysics Data System (ADS)

    Hill, Christopher T.

    The top-Higgs system, consisting of top quark (LH doublet, RH singlet) and Higgs boson kinetic terms, with gauge fields set to zero, has an exact symmetry where both fermion and Higgs fields are shifted and mixed in a supersymmetric fashion. The full Higgs-Yukawa interaction and Higgs-potential, including additional 1/?2 NJL-like interactions, also has this symmetry to \\ {O} (1/{? ^4}), up to null-operators. Thus the interaction Lagrangian can be viewed as a power series in 1/?2. The symmetry involves interplay of the Higgs quartic interaction with the Higgs-Yukawa interaction and implies the relationship, ? = {1 over 2}{g^2} between the top-Yukawa coupling, g, and Higgs quartic coupling, ?, at a high energy scale ? few TeV. We interpret this to be a new physics scale. The top quark is massless in the symmetric phase, satisfying the Nambu-Goldstone theorem. The fermionic shift part of the current is ?(1-HH/v2), owing to the interplay of ? and g, and vanishes in the broken phase. Hence the Nambu-Goldstone theorem is trivially evaded in the broken phase and the top quark becomes heavy (it is not a Goldstino). We have mt = mh, subject to radiative corrections that can in principle pull the Higgs into concordance with experiment.

  10. Top quark physics

    SciTech Connect

    Menzione, A.

    1995-10-01

    Most of the material presented in this report, comes from contributions to the parallel session PL20 of this conference. We summarise the experimental results of direct production of Top quarks, coming from the CDF and C0 Collaborations at Fermilab, and compare these results to what one expects within current theoretical understanding. Particular attention is given to new results such as all hadronic modes of t{bar t} decay. As far as the mass is concerned, a comparison is made with precision measurements of related quantities, coming from LEP and other experiments. An attempt is made to look at the medium-term future and understand which variables and with what accuracy one can measure them with increased integrated luminosity.

  11. Are vacuum-filtrated reduced graphene oxide membranes symmetric?

    NASA Astrophysics Data System (ADS)

    Tang, Bo; Zhang, Lianbin; Li, Renyuan; Wu, Jinbo; Hedhili, Mohamed Neijib; Wang, Peng

    2015-12-01

    Graphene or reduced graphene oxide (rGO) membrane-based materials are promising for many advanced applications due to their exceptional properties. One of the most widely used synthesis methods for rGO membranes is vacuum filtration of graphene oxide (GO) on a filter membrane, followed by reduction, which shows great advantages such as operational convenience and good controllability. Despite vacuum-filtrated rGO membranes being widely used in many applications, a fundamental question is overlooked: are the top and bottom surfaces of the membranes formed at the interfaces with air and with the filter membrane respectively symmetric or asymmetric? This work, for the first time, reports the asymmetry of the vacuum-filtrated rGO membranes and discloses the filter membranes' physical imprint on the bottom surface of the rGO membrane, which takes place when the filter membrane surface pores have similar dimension to GO sheets. This result points out that the asymmetric surface properties should be cautiously taken into consideration while designing the surface-related applications for GO and rGO membranes.Graphene or reduced graphene oxide (rGO) membrane-based materials are promising for many advanced applications due to their exceptional properties. One of the most widely used synthesis methods for rGO membranes is vacuum filtration of graphene oxide (GO) on a filter membrane, followed by reduction, which shows great advantages such as operational convenience and good controllability. Despite vacuum-filtrated rGO membranes being widely used in many applications, a fundamental question is overlooked: are the top and bottom surfaces of the membranes formed at the interfaces with air and with the filter membrane respectively symmetric or asymmetric? This work, for the first time, reports the asymmetry of the vacuum-filtrated rGO membranes and discloses the filter membranes' physical imprint on the bottom surface of the rGO membrane, which takes place when the filter membrane surface pores have similar dimension to GO sheets. This result points out that the asymmetric surface properties should be cautiously taken into consideration while designing the surface-related applications for GO and rGO membranes. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06797a

  12. Hunting Mixed Top Squark Decays

    NASA Astrophysics Data System (ADS)

    Graesser, Michael L.; Shelton, Jessie

    2013-09-01

    We point out that, in the irreducible natural supersymmetric spectrum, top squarks have comparable branching fractions to chargino-bottom and neutralino-top final states in the vast bulk of parameter space, provided only that both decay modes are kinematically accessible. The total top squark pair branching fractions into tt¯+MET (MET=missingtransverseenergy) can therefore be reduced to O(50%), whereas bb¯+X branching fractions are typically much smaller, O(10%), thus limiting the reach of traditional top squark searches. We propose a new top squark search targeting the asymmetric final state t˜t˜*→tχ0b¯χ-+H.c., which can restore sensitivity to natural top squarks in the 7 and 8 TeV LHC runs. In addition, we present a new variable, topness, which efficiently suppresses the dominant top backgrounds to semileptonic top partner searches. We demonstrate the utility of topness in both our asymmetric search channel and traditional t˜t˜*→tt¯+MET searches and show that it matches or outperforms existing variables.

  13. Symmetric Key Structural Residues in Symmetric Proteins with Beta-Trefoil Fold

    PubMed Central

    Huang, Yanzhao; Xiao, Yi

    2010-01-01

    To understand how symmetric structures of many proteins are formed from asymmetric sequences, the proteins with two repeated beta-trefoil domains in Plant Cytotoxin B-chain family and all presently known beta-trefoil proteins are analyzed by structure-based multi-sequence alignments. The results show that all these proteins have similar key structural residues that are distributed symmetrically in their structures. These symmetric key structural residues are further analyzed in terms of inter-residues interaction numbers and B-factors. It is found that they can be distinguished from other residues and have significant propensities for structural framework. This indicates that these key structural residues may conduct the formation of symmetric structures although the sequences are asymmetric. PMID:21152439

  14. Symmetric curvature descriptors for label-free analysis of DNA

    NASA Astrophysics Data System (ADS)

    Buzio, Renato; Repetto, Luca; Giacopelli, Francesca; Ravazzolo, Roberto; Valbusa, Ugo

    2014-09-01

    High-resolution microscopy techniques such as electron microscopy, scanning tunnelling microscopy and atomic force microscopy represent well-established, powerful tools for the structural characterization of adsorbed DNA molecules at the nanoscale. Notably, the analysis of DNA contours allows mapping intrinsic curvature and flexibility along the molecular backbone. This is particularly suited to address the impact of the base-pairs sequence on the local conformation of the strands and plays a pivotal role for investigations relating the inherent DNA shape and flexibility to other functional properties. Here, we introduce novel chain descriptors aimed to characterize the local intrinsic curvature and flexibility of adsorbed DNA molecules with unknown orientation. They consist of stochastic functions that couple the curvatures of two nanosized segments, symmetrically placed on the DNA contour. We show that the fine mapping of the ensemble-averaged functions along the molecular backbone generates characteristic patterns of variation that highlight all pairs of tracts with large intrinsic curvature or enhanced flexibility. We demonstrate the practical applicability of the method for DNA chains imaged by atomic force microscopy. Our approach paves the way for the label-free comparative analysis of duplexes, aimed to detect nanoscale conformational changes of physical or biological relevance in large sample numbers.

  15. Top physics results from CDF

    SciTech Connect

    Gomez, Gervasio; /Cantabria Inst. of Phys.

    2005-05-01

    The top quark is by far the most massive fundamental particle observed so far, and the study of its properties is interesting for several reasons ranging from its possible special role in electroweak symmetry breaking to its sensitivity to physics beyond the Standard Model. They present recent top physics results from CDF based on 160-320 pb{sup -1} of p{bar p} collision data at {radical}s = 1.96 TeV. The t{bar t} cross section and the top mass have been measured in different decay channels and using different methods. they have searched for evidence of single top production, setting upper limits on its production rate. Other results shown in this conference include studies of the polarization of W bosons from top decays, a search for charged Higgs decaying from top, and a search for additional heavy t' quarks.

  16. Differential Targeting of Human Topoisomerase II Isoforms with Small Molecules.

    PubMed

    Mariani, Angelica; Bartoli, Alexandra; Atwal, Mandeep; Lee, Ka C; Austin, Caroline A; Rodriguez, Raphal

    2015-06-11

    The TOP2 poison etoposide has been implicated in the generation of secondary malignancies during cancer treatment. Structural similarities between TOP2 isoforms challenge the rational design of isoform-specific poisons to further delineate these processes. Herein, we describe the synthesis and biological evaluation of a focused library of etoposide analogues, with the identification of two novel small molecules exhibiting TOP2B-dependent toxicity. Our findings pave the way toward studying isoform-specific cellular processes by means of small molecule intervention. PMID:25945730

  17. 4. DETAIL VIEW OF TOP CHORD AND TOP CHORD CONNECTIONS ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    4. DETAIL VIEW OF TOP CHORD AND TOP CHORD CONNECTIONS NEAR NORTH CORNER OF BRIDGE, LOOKING WEST - Springfield-Des Arc Bridge, Spanning North Branch of Cadron Creek at Old Springfield-Des Arc Road (County Road 222), Springfield, Conway County, AR

  18. Dark matter on top

    SciTech Connect

    Gmez, M.A.; Jackson, C.B.; Shaughnessy, G. E-mail: chris@uta.edu

    2014-12-01

    We consider a simplified model of fermionic dark matter which couples exclusively to the right-handed top quark via a renormalizable interaction with a color-charged scalar. We first compute the relic abundance of this type of dark matter and investigate constraints placed on the model parameter space by the latest direct detection data. We also perform a detailed analysis for the production of dark matter at the LHC for this model. We find several kinematic variables that allow for a clean signal extraction and we show that the parameter space of this model will be well probed during LHC Run-II. Finally, we investigate the possibility of detecting this type of dark matter via its annihilations into gamma rays. We compute the continuum and the line emission (which includes a possible ''Higgs in Space!'' line) and its possible discovery by future gamma-ray telescopes. We find that the annihilation spectrum has distinctive features which may distinguish it from other models.

  19. Integrability of PT-symmetric dimers

    NASA Astrophysics Data System (ADS)

    Pickton, J.; Susanto, H.

    2013-12-01

    The coupled discrete linear and Kerr nonlinear Schrödinger equations with gain and loss describing transport on dimers with parity-time (PT)-symmetric potentials are considered. The model is relevant among others to experiments in optical couplers and proposals on Bose-Einstein condensates in PT-symmetric double-well potentials. It is known that the models are integrable. Here, the integrability is exploited further to construct the phase portraits of the system. A pendulum equation with a linear potential and a constant force for the phase difference between the fields is obtained, which explains the presence of unbounded solutions above a critical threshold parameter. The behavior of all solutions of the system, including changes in the topological structure of the phase plane, is then discussed.

  20. YoungCapelli symmetrizers in superalgebras

    PubMed Central

    Brini, Andrea; Teolis, Antonio G. B.

    1989-01-01

    Let Supern[U [unk] V] be the nth homogeneous subspace of the supersymmetric algebra of U [unk] V, where U and V are Z2-graded vector spaces over a field K of characteristic zero. The actions of the general linear Lie superalgebras pl(U) and pl(V) span two finite-dimensional K-subalgebras B and [unk] of EndK(Supern[U [unk] V]) that are the centralizers of each other. YoungCapelli symmetrizers and YoungCapelli *-symmetrizers give rise to K-linear bases of B and [unk] containing orthogonal systems of idempotents; thus they yield complete decompositions of B and [unk] into minimal left and right ideals, respectively. PMID:16594014

  1. Spherically symmetric random walks in noninteger dimension

    SciTech Connect

    Bender, C.M. ); Boettcher, S. ); Moshe, M. )

    1994-09-01

    A previous article proposed a new kind of random walk on a spherically symmetric lattice in arbitrary noninteger dimension [ital D]. Such a lattice avoids the problems associated with a hypercubic lattice in noninteger dimension. This article examines the nature of spherically symmetric random walks in detail. A large-time asymptotic analysis of these random walks is performed and the results are used to determine the Hausdorff dimension of the process. Exact results are obtained in terms of Hurwitz functions (incomplete zeta functions) for the probability of a walker going from one region of the spherical lattice to another. Finally, it is shown that the probability that the paths of [ital K] independent random walkers will intersect vanishes in the continuum limit if [ital D][gt]2[ital K]/([ital K][minus]1).

  2. Symmetrical Peripheral Gangrene Following Snake Bite

    PubMed Central

    Shastri, Minal; Parikh, Mital; Patel, Dwijal; Chudasma, Ketan

    2014-01-01

    SPG (Symmetrical peripheral gangrene) is defined as symmetrical distal ischemic damage at two or more sites in the absence of large vessels obstruction. It has been ascribed to a number of infectious and non infectious conditions including connective tissue, cardiovascular, neoplastic and iatrogenic causes. We report a unique case of SPG in a 35-year-old Indian female who developed spontaneous gangrene of the distal phalanges of the right and left index, middle, ring and little fingers and the distal phalanges of all toes of the right and left foot following a snake bite. There have been very few cases of peripheral gangrene and acute renal failure associated with snake bite in literature. PMID:25386476

  3. Parity-time-symmetric plasmonic metamaterials

    NASA Astrophysics Data System (ADS)

    Alaeian, Hadiseh; Dionne, Jennifer A.

    2014-03-01

    We theoretically investigate the optical properties of parity-time (PT)-symmetric three-dimensional metamaterials composed of strongly coupled planar plasmonic waveguides. By tuning the loss-gain balance, we show how the initially isotropic material becomes both asymmetric and unidirectional. Investigation of the band structure near the material's exceptional point reveals several interesting optical properties, including double negative refraction, Bloch power oscillations, unidirectional invisibility, and reflection and transmission coefficients that are simultaneously equal to or greater than unity. The highly tunable optical dispersion of PT-symmetric metamaterials provides a foundation for designing an unconventional class of three-dimensional bulk synthetic media, with applications ranging from lossless subdiffraction-limited optical lenses to nonreciprocal nanophotonic devices.

  4. Symmetry calculation for molecules and transition states.

    PubMed

    Vandewiele, Nick M; Van de Vijver, Ruben; Van Geem, Kevin M; Reyniers, Marie-Franoise; Marin, Guy B

    2015-01-30

    The symmetry of molecules and transition states of elementary reactions is an essential property with important implications for computational chemistry. The automated identification of symmetry by computers is a very useful tool for many applications, but often relies on the availability of three-dimensional coordinates of the atoms in the molecule and hence becomes less useful when these coordinates are a priori unavailable. This article presents a new algorithm that identifies symmetry of molecules and transition states based on an augmented graph representation of the corresponding structures, in which both topology and the presence of stereocenters are accounted for. The automorphism group order of the graph associated with the molecule or transition state is used as a starting point. A novel concept of label-stereoisomers, that is, stereoisomers that arise after labeling homomorph substituents in the original molecule so that they become distinguishable, is introduced and used to obtain the symmetry number. The algorithm is characterized by its generic nature and avoids the use of heuristic rules that would limit the applicability. The calculated symmetry numbers are in agreement with expected values for a large and diverse set of structures, ranging from asymmetric, small molecules such as fluorochlorobromomethane to highly symmetric structures found in drug discovery assays. The new algorithm opens up new possibilities for the fast screening of the degree of symmetry of large sets of molecules. PMID:25421576

  5. PT symmetric Aubry-Andre model

    NASA Astrophysics Data System (ADS)

    Yuce, C.

    2014-06-01

    PT symmetric Aubry-Andre model describes an array of N coupled optical waveguides with position-dependent gain and loss. We show that the reality of the spectrum depends sensitively on the degree of quasi-periodicity for small number of lattice sites. We obtain the Hofstadter butterfly spectrum and discuss the existence of the phase transition from extended to localized states. We show that rapidly changing periodical gain/loss materials almost conserve the total intensity.

  6. Wave equation on spherically symmetric Lorentzian metrics

    SciTech Connect

    Bokhari, Ashfaque H.; Al-Dweik, Ahmad Y.; Zaman, F. D.; Kara, A. H.; Karim, M.

    2011-06-15

    Wave equation on a general spherically symmetric spacetime metric is constructed. Noether symmetries of the equation in terms of explicit functions of {theta} and {phi} are derived subject to certain differential constraints. By restricting the metric to flat Friedman case the Noether symmetries of the wave equation are presented. Invertible transformations are constructed from a specific subalgebra of these Noether symmetries to convert the wave equation with variable coefficients to the one with constant coefficients.

  7. Symmetric space description of carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Caselle, Michele; Magnea, Ulrika

    2006-01-01

    Using an innovative technique arising from the theory of symmetric spaces, we obtain an approximate analytic solution of the Dorokhov-Mello-Pereyra-Kumar (DMPK) equation in the insulating regime of a metallic carbon nanotube with symplectic symmetry and an odd number of conducting channels. This symmetry class is characterized by the presence of a perfectly conducting channel in the limit of infinite length of the nanotube. The derivation of the DMPK equation for this system has recently been performed by Takane, who also obtained the average conductance both analytically and numerically. Using the Jacobian corresponding to the transformation to radial coordinates and the parametrization of the transfer matrix given by Takane, we identify the ensemble of transfer matrices as the symmetric space of negative curvature SO*(4m + 2)/[SU(2m + 1) × U(1)] belonging to the DIII-odd Cartan class. We rederive the leading-order correction to the conductance of the perfectly conducting channel \\langle \\ln \\delta g \\rangle and its variance Var(ln δg). Our results are in complete agreement with Takane's. In addition, our approach based on the mapping to a symmetric space enables us to obtain new universal quantities: a universal group theoretical expression for the ratio \\mathrm {Var}(\\ln \\delta g)/\\langle \\ln \\delta g\\rangle , and as a by-product a novel expression for the localization length for the most general case of a symmetric space with BCm root system, in which all three types of roots are present.

  8. Active tokamak limiters; symmetrizing the edge plasma

    SciTech Connect

    Motley, R.W.

    1981-02-01

    The surface layers of tokamak plasmas are strongly unstable to low frequency oscillations. The limiter, by imposing a non-axisymmetric state in the plasma scrape-off layer, may be the source of the free energy driving the instabilities. An active, two-faced sandwich limiter is proposed to symmetrize the scrape-off layer, thereby minimizing the mismatch between the inner and outer tokamak states.

  9. Compensator configurations for load currents' symmetrization

    NASA Astrophysics Data System (ADS)

    Rusinaru, D.; Manescu, L. G.; Dinu, R. C.

    2016-02-01

    This paper approaches aspects regarding the mitigation effects of asymmetries in 3-phase 3-wire networks. The measure consisting in connecting of load current symmetrization devices at the load coupling point is presented. A time-variation of compensators parameters is determined as a function of the time-recorded electrical values. The general sizing principle of the load current symmetrization reactive components is based on a simple equivalent model of the unbalanced 3-phase loads. By using these compensators a certain control of the power components transits is ensured in the network. The control is based on the variations laws of the compensators parameters as functions of the recorded electrical values: [B] = [T]·[M]. The link between compensator parameters and measured values is ensured by a transformation matrix [T] for each operation conditions of the supply network. Additional conditions for improving of energy and efficiency performance of the compensator are considered: i.e. reactive power compensation. The compensator sizing algorithm was implemented into a MATLAB environment software, which generate the time-evolution of the parameters of load current symmetrization device. The input data of application takes into account time-recording of the electrical values. By using the compensator sizing software, some results were achieved for the case of a consumer connected at 20 kV busbar of a distribution substation, during 24 hours measurement session. Even the sizing of the compensators aimed some additional network operation aspects (power factor correction) correlated with the total or major load symmetrizations, the harmonics aspects of the network values were neglected.

  10. Pinning down top dipole moments with ultraboosted tops

    NASA Astrophysics Data System (ADS)

    Aguilar-Saavedra, Juan A.; Fuks, Benjamin; Mangano, Michelangelo L.

    2015-05-01

    We investigate existing and future hadron-collider constraints on the top dipole chromomagnetic and chromoelectric moments, two quantities that are expected to be modified in the presence of new physics. We focus first on recent measurements of the inclusive top pair production cross section at the Tevatron and at the Large Hadron Collider. We then analyze the role of top-antitop events produced at very large invariant masses, in the context of the forthcoming 13-14 TeV runs of the LHC, and at a future 100 TeV proton-proton collider. In this latter case, the selection of semileptonic decays to hard muons allows to tag top quarks boosted to the multi-TeV regime, strongly reducing the QCD backgrounds and leading to a significant improvement in the sensitivity to anomalous top couplings.

  11. Are vacuum-filtrated reduced graphene oxide membranes symmetric?

    PubMed

    Tang, Bo; Zhang, Lianbin; Li, Renyuan; Wu, Jinbo; Hedhili, Mohamed Neijib; Wang, Peng

    2015-12-23

    Graphene or reduced graphene oxide (rGO) membrane-based materials are promising for many advanced applications due to their exceptional properties. One of the most widely used synthesis methods for rGO membranes is vacuum filtration of graphene oxide (GO) on a filter membrane, followed by reduction, which shows great advantages such as operational convenience and good controllability. Despite vacuum-filtrated rGO membranes being widely used in many applications, a fundamental question is overlooked: are the top and bottom surfaces of the membranes formed at the interfaces with air and with the filter membrane respectively symmetric or asymmetric? This work, for the first time, reports the asymmetry of the vacuum-filtrated rGO membranes and discloses the filter membranes' physical imprint on the bottom surface of the rGO membrane, which takes place when the filter membrane surface pores have similar dimension to GO sheets. This result points out that the asymmetric surface properties should be cautiously taken into consideration while designing the surface-related applications for GO and rGO membranes. PMID:26667828

  12. 14 CFR 23.331 - Symmetrical flight conditions.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Symmetrical flight conditions. 23.331... Flight Loads § 23.331 Symmetrical flight conditions. (a) The appropriate balancing horizontal tail load... inertia loads corresponding to any of the symmetrical flight conditions specified in §§ 23.333 through...

  13. 14 CFR 23.331 - Symmetrical flight conditions.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Symmetrical flight conditions. 23.331... Flight Loads § 23.331 Symmetrical flight conditions. (a) The appropriate balancing horizontal tail load... inertia loads corresponding to any of the symmetrical flight conditions specified in §§ 23.333 through...

  14. 14 CFR 23.331 - Symmetrical flight conditions.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Symmetrical flight conditions. 23.331... Flight Loads § 23.331 Symmetrical flight conditions. (a) The appropriate balancing horizontal tail load... inertia loads corresponding to any of the symmetrical flight conditions specified in §§ 23.333 through...

  15. Interacting fermionic atoms in optical lattices diffuse symmetrically upwards and downwards in a gravitational potential.

    PubMed

    Mandt, Stephan; Rapp, Akos; Rosch, Achim

    2011-06-24

    We consider a cloud of fermionic atoms in an optical lattice described by a Hubbard model with an additional linear potential. While homogeneous interacting systems mainly show damped Bloch oscillations and heating, a finite cloud behaves differently: It expands symmetrically such that gains of potential energy at the top are compensated by losses at the bottom. Interactions stabilize the necessary heat currents by inducing gradients of the inverse temperature 1/T, with T<0 at the bottom of the cloud. An analytic solution of hydrodynamic equations shows that the width of the cloud increases with t^{1/3} for long times consistent with results from our Boltzmann simulations. PMID:21770621

  16. Role of 2-D periodic symmetrical nanostructures in improving efficiency of thin film solar cells

    NASA Astrophysics Data System (ADS)

    Zhang, Wei; Jiang, Liyong; Li, Xiangyin

    2016-01-01

    We systematically investigated several different nanostructures in crystalline silicon (c-Si) thin film solar cells and then proposed a brand-new structure with two dimensional (2-D) periodic dielectric cylinders on the top and annular metal columns on bottom surface to enhance the optical harvesting. The periodic symmetrical nanostructures affect the solar cell efficiency due to the grating diffraction effect of dielectric columns and surface plasmon polaritons (SPPs) effect induced by metal nanostructures at the dielectric-metal interface. About 52.1% more optical absorption and 33.3% more power conversion efficiency are obtained, and the maximum short current reaches to 33.24 mA/cm2.

  17. Top results from the Tevatron

    SciTech Connect

    E. Barberis

    2002-01-18

    This paper summarizes the latest measurements of the properties of the top quark as determined by the CDF and D0 collaborations during the first run of the Fermilab Tevatron p{bar p} collider (1992-1996). Prospects for future measurements of the top quark at the upgraded Tevatron collider are also presented.

  18. Decelerating and Trapping Larger Polar Molecules

    NASA Astrophysics Data System (ADS)

    Patterson, David

    2015-05-01

    Manipulating the motion of larger polyatomic molecules presents significant challenges compared to manipulation of diatomic molecules. In particular, extending Stark deceleration and electrostatic trapping to such species remains challenging. Although molecules as large as CH3F have been trapped and cooled, no general technique for trapping such molecules has been demonstrated, and cold molecules larger than 5 atoms have not been trapped. The combination of recently demonstrated continuous, high flux, slow, cold, buffer gas cooled beams of closed-shell volatile molecules, and a novel ``asymmetric stretched state'' Stark decelerator (proposed here), promise to realize a general system for decelerating and trapping samples of a broad range of volatile neutral polar prolate asymmetric top molecules; the technique is applicable to most stable molecules in the 100-500 AMU range. The trapped samples would initially be in a single rotational state, at a motional temperature of 100s of mK. Such samples would immediately allow for spectroscopy of unprecedented resolution, and straightforward extensions would allow for further cooling, direct observation of slow intra-molecular processes such as vibrational relaxation and Hz-level tunneling dynamics. Further applications include high precision tests of fundamental symmetries, such as searches for nuclear or electronic permanent electric dipole moments and predicted but not yet observed CP violation in spectra of chiral molecules. A proposed experimental design to realize trapped samples of Benzonitrile and Aminobenzonitrile is presented

  19. Nonthermal and geometric effects on the symmetric and anti-symmetric surface waves in a Lorentzian dusty plasma slab

    SciTech Connect

    Lee, Myoung-Jae; Jung, Young-Dae

    2015-02-15

    The nonthermal and geometric effects on the propagation of the surface dust acoustic waves are investigated in a Lorentzian dusty plasma slab. The symmetric and anti-symmetric dispersion modes of the dust acoustic waves are obtained by the plasma dielectric function with the spectral reflection conditions the slab geometry. The variation of the nonthermal and geometric effects on the symmetric and the anti-symmetric modes of the surface plasma waves is also discussed.

  20. Electrochemical and structural analysis of a novel symmetrical bis-Schiff base with herringbone packing motif

    NASA Astrophysics Data System (ADS)

    Bali?, Tomislav; Markovi?, Berislav; Medvidovi?-Kosanovi?, Martina

    2015-03-01

    A novel symmetrical bis-Schiff base was synthesized and characterized by means of single crystal X-ray diffraction, FT-IR and NMR spectroscopy, elemental, TG/DSC and electrochemical analysis. The synthesized molecule represents a rare example of symmetrical bis-Schiff base with uncondensed primary amino group as the final reaction product. The molecule is planar, with largest deviation of aminophenyl benzene ring from the plane calculated through the aliphatic chain in the amount of 4.93(1). In the crystal, the molecules are primarily linked by hydrogen bonds involving primary amino groups and weak Csbnd H⋯? interactions. Consequently, these interactions are arranging molecules into herringbone packing motif. The FT-IR and NMR spectra indicated presence of both imino and amino groups in dissolved and solid state, therefore confirming consistency of the studied material and also molecular structure determined by X-ray diffraction. Electrochemical study has shown that the oxidation of the investigated Schiff base is irreversible, diffusion controlled process and that the oxidation products are adsorbed on the glassy carbon electrode surface.

  1. Status of the top quark: Top production cross section and top properties

    SciTech Connect

    Boisvert, V.; /Rochester U.

    2006-08-01

    This report describes the latest cross section and property measurements associated with the top quark at the Tevatron Run II. The largest data sample used is 760 pb{sup -1} of integrated luminosity. Due to its large mass, the top quark might be involved in the process of electroweak symmetry breaking, making it a useful probe for signs of new physics.

  2. Collision-induced light scattering by fluids of optically isotropic molecules: Comparison of results of two model studies

    NASA Astrophysics Data System (ADS)

    Ladanyi, Branka M.; Barreau, A.; Chave, A.; Dumon, B.; Thibeau, M.

    1986-11-01

    We report results of theoretical and computer-simulation studies of collision-induced light-scattering (CILS) intensities in fluids of optically isotropic molecules. Depolarized Rayleigh scattering in monatomic and spherical-top polyatomic fluids and depolarized Raman scattering at the completely symmetric vibrational mode of spherical-top molecular fluids are considered. Lennard-Jones potential is used to model intermolecular interactions. The collective polarizability is described by the first-order dipole-induced-dipole (DID) interaction model. CILS intensities for this model are evaluated by molecular-dynamics (MD) simulation at two temperatures and a set of densities. These results and those of earlier MD simulations are compared to the lattice-gas approximation to the same model. Results for the lattice-gas model (LGM) are obtained by Monte Carlo simulation on a face-centered-cubic lattice with Lennard-Jones and DID interactions between occupied nearest-neighbor sites. We find that the MD results for CILS intensities are weakly temperature dependent and that they agree well with the high-temperature version of the LGM. We also find that the LGM predicts a strong temperature dependence of these quantities, in disagreement with the MD results. Reasons for the inaccuracy of the LGM predictions and possible improvements of this model are discussed.

  3. Symmetrical band-pass loudspeaker systems

    NASA Astrophysics Data System (ADS)

    Matusiak, Grzegorz Piotr

    2001-12-01

    Loudspeaker systems are analyzed in a doctoral dissertation. The dissertation concerns loudspeaker systems, which are known as subwoofers or band-pass loudspeaker systems. Their advantages include: high- quality sound reproduction in the low-frequency range, small dimensions, small nonlinear distortions and the fact that they can be placed anywhere in a room or car. Band-pass loudspeaker systems are used widely in the so- called Home Theatre as well as to provide sound in cinema, theatre, concert, discotheque, opera, operetta, philharmonic and amphitheater halls, at open-air concerts, and so on. Various designs are mass-produced by a large number of manufacturers. The study covers an analysis of band-pass loudspeaker systems to which the frequency transformation, i.e. the reactance transformation, has been applied. Since this is a symmetrical transformation, amplitude frequency responses of the studied band-pass systems are also symmetrical (logarithmic scale of a frequency). As a result, the high-pass loudspeaker system design method, known as the Thiele-Small, Benson analysis, can be employed. The investigations include the formulation of band-pass system equations (fourth, sixth and eighth-order polynomials) and the subsequent derivation of relations for the calculation of system parameters. The obtained results enable the calculation of optimum designs for prescribed alignments, e.g. (Chebyshev) equal-ripple, (Butterworth) maximally flat, or quasi-maximally flat (QB). The analysis covers fourth, sixth and eighth-order symmetrical systems. Eighth-order systems have been divided into three kinds according to three ways of physical realization. The doctoral dissertation includes band-pass loudspeaker systems, which can be designed with active or passive filters or without the filter. Designed systems consist of a loudspeaker whose front of a diaphragm is loaded with a Helmholtz resonator, i.e. an enclosure with a vent, which radiates sound outwards. The back is loaded with a closed-box or the Helmholtz resonator.

  4. 2d PDE Linear Symmetric Matrix Solver

    Energy Science and Technology Software Center (ESTSC)

    1983-10-01

    ICCG2 (Incomplete Cholesky factorized Conjugate Gradient algorithm for 2d symmetric problems) was developed to solve a linear symmetric matrix system arising from a 9-point discretization of two-dimensional elliptic and parabolic partial differential equations found in plasma physics applications, such as resistive MHD, spatial diffusive transport, and phase space transport (Fokker-Planck equation) problems. These problems share the common feature of being stiff and requiring implicit solution techniques. When these parabolic or elliptic PDE''s are discretized withmore » finite-difference or finite-element methods,the resulting matrix system is frequently of block-tridiagonal form. To use ICCG2, the discretization of the two-dimensional partial differential equation and its boundary conditions must result in a block-tridiagonal supermatrix composed of elementary tridiagonal matrices. The incomplete Cholesky conjugate gradient algorithm is used to solve the linear symmetric matrix equation. Loops are arranged to vectorize on the Cray1 with the CFT compiler, wherever possible. Recursive loops, which cannot be vectorized, are written for optimum scalar speed. For matrices lacking symmetry, ILUCG2 should be used. Similar methods in three dimensions are available in ICCG3 and ILUCG3. A general source containing extensions and macros, which must be processed by a pre-compiler to obtain the standard FORTRAN source, is provided along with the standard FORTRAN source because it is believed to be more readable. The pre-compiler is not included, but pre-compilation may be performed by a text editor as described in the UCRL-88746 Preprint.« less

  5. A synthetic method to access symmetric and non-symmetric 2-(N,N'-disubstituted)guanidinebenzothiazoles.

    PubMed

    Cruz, Alejandro; Padilla-Martnez, Itzia I; Garca-Bez, Efrn V

    2012-01-01

    Symmetric and non-symmetric 2-(N-H, N-methyl, N-ethylenyl and N-aryl)guanidinebenzothiazoles were synthesized from the reaction of ammonia, methylamine, pyrrolidine and aniline with dimethyl benzo[d]thiazol-2-yl-carbonodithioimidate as intermediate. The products were characterized by H-, C-NMR spectroscopy and three of them by X-ray diffraction analysis. HN-phenyl protons formed intramolecular hydrogen bonds that assist the stereochemistry of the second substituent, whereas the HN-alkyl protons were involved in intermolecular hydrogen bonding. PMID:22922286

  6. Symmetrical and anti-symmetrical coherent perfect absorption for acoustic waves

    SciTech Connect

    Wei, Pengjiang; Croënne, Charles; Tak Chu, Sai; Li, Jensen

    2014-03-24

    We investigate tunable acoustic absorption enabled by the coherent control of input waves. It relies on coherent perfect absorption originally proposed in optics. By designing appropriate acoustic metamaterial structures with resonating effective bulk modulus or density, we show that complete absorption of incident waves impinging on the metamaterial can be achieved for either symmetrical or anti-symmetrical inputs in the forward and backward directions. By adjusting the relative phase between the two incident beams, absorption can be tuned effectively from unity to zero, making coherent control useful in applications like acoustic modulators, noise controllers, transducers, and switches.

  7. Symmetric functions and the Vandermonde matrix

    NASA Astrophysics Data System (ADS)

    Oruc, Halil; Akmaz, Hakan K.

    2004-11-01

    This work deduces the lower and the upper triangular factors of the inverse of the Vandermonde matrix using symmetric functions and combinatorial identities. The L and U matrices are in turn factored as bidiagonal matrices. The elements of the upper triangular matrices in both the Vandermonde matrix and its inverse are obtained recursively. The particular value xi=1+q+...+qi-1 in the indeterminates of the Vandermonde matrix is investigated and it leads to q-binomial and q-Stirling matrices. It is also shown that q-Stirling matrices may be obtained from the Pascal matrix.

  8. Stability analysis of axial reflection symmetric spacetime

    NASA Astrophysics Data System (ADS)

    Sharif, M.; Bhatti, M. Zaeem Ul Haq

    2016-01-01

    In this paper, we explore instability regions of non-static axial reflection symmetric spacetime with anisotropic source in the interior. We impose linear perturbation on the Einstein field equations and dynamical equations to establish the collapse equation. The effects of different physical factors like energy density and anisotropic stresses on the instability regions are studied under Newtonian and post-Newtonian limits. We conclude that stiffness parameter has a significant role in this analysis while the reflection terms increase instability ranges of non-static axial collapse.

  9. Note on free symmetric rigid body motion

    NASA Astrophysics Data System (ADS)

    Dragović, Vladimir; Gajić, Borislav; Jovanović, Božidar

    2015-05-01

    We consider the Euler equations of motion of a free symmetric rigid body around a fixed point, restricted to the invariant subspace given by the zero values of the corresponding linear Noether integrals. In the case of the SO( n - 2)-symmetry, we show that almost all trajectories are periodic and that the motion can be expressed in terms of elliptic functions. In the case of the SO( n - 3)-symmetry, we prove the solvability of the problem by using a recent Kozlov's result on the Euler-Jacobi-Lie theorem.

  10. Symmetric Toeplitz-Structured Compressed Sensing Matrices

    NASA Astrophysics Data System (ADS)

    Huang, Tao; Fan, Yi-Zheng; Zhu, Ming

    2015-11-01

    How to construct a suitable measurement matrix is an important topic in compressed sensing. A significant part of the recent work is that the measurement matrices are not completely random on the entries but exhibit some considerable structures. In this paper, we proved that a symmetric Toeplitz matrix and its variant can be used as measurement matrices and recovery signal with high probability. Compared with random matrices (e.g. Gaussian and Bernoulli matrices) and some structured matrices (e.g. Toeplitz and circulant matrices), we need to generate fewer independent entries to obtain the measurement matrix while the effectiveness of the recovery keeps good.

  11. Single mode PT symmetric large area lasers

    NASA Astrophysics Data System (ADS)

    Hodaei, Hossein; Miri, Mohammad-Ali; Heinrich, Matthias; Christodoulides, Demetrios N.; Khajavikhan, Mercedeh

    2014-09-01

    We experimentally demonstrate single longitudinal mode operation in microring laser using the concept of PT symmetry. A PT-symmetric coupled resonator arrangement can considerably enhance the maximum achievable gain of single mode microring cavity. The method is broadband thus work well for inhomogenously broadened gain mediums. It doesn't rely on any additional component to ensure its mode selective performance, and it is robust with respect to fabrication inaccuracies. This result may pave the way for a novel way of designing integrated laser sources based on PT symmetry.

  12. Free Vibration of Symmetrically Laminated Skew Plates

    NASA Astrophysics Data System (ADS)

    Han, W.; Dickinson, S. M.

    1997-12-01

    A Ritz approach, developed for the analysis of the vibration of thin, laminated, rectangular plates, is extended to apply to symmetrically laminated, composite, skew plates. There is relatively little information available on the vibration of such skew plates, despite their increasing use in the aerospace industry. A convergence study and comparisons with results available from the literature indicate that the approach presented is reliable and accurate. A fairly extensive set of numerical results is given in graphical form, illustrating the influence of different lamination lay-ups, skew angles and edge conditions on the natural frequencies and nodal patterns of a selection of plates.

  13. Hoop conjecture in spherically symmetric spacetimes

    NASA Astrophysics Data System (ADS)

    Khuri, Marcus A.

    2009-12-01

    We give general sufficient conditions for the existence of trapped surfaces due to concentration of matter in spherically symmetric initial data sets satisfying the dominant energy condition. These results are novel in that they apply and are meaningful for arbitrary spacelike slices, that is, they do not require any auxiliary assumptions such as maximality, time symmetry, or special extrinsic foliations, and most importantly they can easily be generalized to the nonspherical case once an existence theory for a modified version of the Jang equation is developed. Moreover, our methods also yield positivity and monotonicity properties of the Misner-Sharp energy.

  14. Dual frame symmetric wavelets with limited redundancy

    NASA Astrophysics Data System (ADS)

    Abdelnour, Farras

    2009-08-01

    In this paper we explore the design of 5-band dual frame (overcomplete) wavelets with a dilation factor M = 4. The resulting limit functions are significantly smoother than their orthogonal counterparts at the same dilation factor. An advantage of the proposed filters over the dyadic filterbanks (M = 2) is that the proposed filterbanks result in a reduced redundancy when compared with dyadic frames, while maintaining smoothness. The proposed filterbanks are symmetric and generate four wavelets and a scaling function for each the synthesis and analysis limit functions. All wavelets are equipped with at least one vanishing moment each.

  15. Physics of Molecules

    NASA Astrophysics Data System (ADS)

    Williams, D.; Murdin, P.

    2000-11-01

    Many varieties of molecule have been detected in the Milky Way and in other galaxies. The processes by which these molecules are formed and destroyed are now broadly understood (see INTERSTELLAR CHEMISTRY). These molecules are important components of galaxies in two ways. Firstly, radiation emitted by molecules enables us to trace the presence of diffuse gas, to infer its physical properties and ...

  16. Training Top 10 Hall of Fame

    ERIC Educational Resources Information Center

    Training, 2012

    2012-01-01

    Microsoft Corporation and SCC Soft Computer are the newest inductees into the Training Top 10 Hall of Fame, joining the ranks of the 11 companies named to the hall since its inception in 2008 (Wyeth Pharmaceuticals subsequently was acquired by Pfizer Inc. in 2009). These 11 companies held Top 10 spots in the Training Top 50, Top 100, and now Top

  17. Forum outlines top emerging technologies

    NASA Astrophysics Data System (ADS)

    Extance, Andy

    2015-04-01

    Additive manufacturing, next-generation robotics, "sense and avoid" drones that fly themselves, artificial intelligence and "neuromorphic" computing have all made it into the World Economic Forum's top 10 emerging technologies for 2015.

  18. Trajectory correction propulsion for TOPS

    NASA Technical Reports Server (NTRS)

    Long, H. R.; Bjorklund, R. A.

    1972-01-01

    A blowdown-pressurized hydrazine propulsion system was selected to provide trajectory correction impulse for outer planet flyby spacecraft as the result of cost/mass/reliability tradeoff analyses. Present hydrazine component and system technology and component designs were evaluated for application to the Thermoelectric Outer Planet Spacecraft (TOPS); while general hydrazine technology was adequate, component design changes were deemed necessary for TOPS-type missions. A prototype hydrazine propulsion system was fabricated and fired nine times for a total of 1600 s to demonstrate the operation and performance of the TOPS propulsion configuration. A flight-weight trajectory correction propulsion subsystem (TCPS) was designed for the TOPS based on actual and estimated advanced components.

  19. Top BSM at D0

    SciTech Connect

    Wicke, Daniel; /Wuppertal U.

    2008-07-01

    The D0 experiment has searched for phenomena beyond the standard model in top quark events. The methods and results of four analyses covering various possible deviations from the standard model behavior are discussed.

  20. Optical design with rotationally symmetric NURBS

    NASA Astrophysics Data System (ADS)

    Chase, Holden

    2002-12-01

    The standard aspheric surface, a conic surface figured with a polynomial expansion, provides excellent correction in many optical design problems. But there are problems where this set of basis functions does not provide the best solution. This paper discusses a parametric curve alternative called Non-Uniform Rational B-Splines (NURBS). NURBS are used extensively in the computer aided geometric design industry (CAGD) because they offer a rational segmented polynomial curve with the flexibility of setting both the order of the B-spline segments and the locations of the knots, or joints, between the B-spline segments providing local curve control. In addition, they are numerically stable and they have geometric intuitive control points for manipulating the curve. The advantages and disadvantages of using NURBS in optical design applications are discussed. Brief explanations of NURBS curve mathematics, properties, and design techniques are presented. The paper concludes with an optical design example comparing the optical performance between rotationally symmetric NURBS surfaces and standard aspheric surface. Note that all of the aspheric surfaces discussed in this paper are rotationally symmetric.

  1. Electroweak Baryogenesis in R-symmetric Supersymmetry

    SciTech Connect

    Fok, R.; Kribs, Graham D.; Martin, Adam; Tsai, Yuhsin

    2013-03-01

    We demonstrate that electroweak baryogenesis can occur in a supersymmetric model with an exact R-symmetry. The minimal R-symmetric supersymmetric model contains chiral superfields in the adjoint representation, giving Dirac gaugino masses, and an additional set of "R-partner" Higgs superfields, giving R-symmetric \\mu-terms. New superpotential couplings between the adjoints and the Higgs fields can simultaneously increase the strength of the electroweak phase transition and provide additional tree-level contributions to the lightest Higgs mass. Notably, no light stop is present in this framework, and in fact, we require both stops to be above a few TeV to provide sufficient radiative corrections to the lightest Higgs mass to bring it up to 125 GeV. Large CP-violating phases in the gaugino/higgsino sector allow us to match the baryon asymmetry of the Universe with no constraints from electric dipole moments due to R-symmetry. We briefly discuss some of the more interesting phenomenology, particularly of the of the lightest CP-odd scalar.

  2. {PT}-symmetrically deformed shock waves

    NASA Astrophysics Data System (ADS)

    Cavaglia, Andrea; Fring, Andreas

    2012-11-01

    We investigate for a large class of nonlinear wave equations, which allow for shock wave formations, how these solutions behave when they are {PT}-symmetrically deformed. For real solutions we find that they are transformed into peaked solutions with a discontinuity in the first derivative instead. The systems we investigate include the {PT}-symmetrically deformed inviscid Burgers equation recently studied by Bender and Feinberg, for which we show that it does not develop any shocks, but peaks instead. In this case we exploit the rare fact that the {PT}-deformation can be provided by an explicit map found by Curtright and Fairlie together with the property that the undeformed equation can be solved by the method of characteristics. We generalise the map and observe this type of behaviour for all integer values of the deformation parameter ?. The peaks are formed as a result of mapping the multi-valued self-avoiding shock profile to a multi-valued self-crossing function by means of the {PT}-deformation. For some deformation parameters we also investigate the deformation of complex solutions and demonstrate that in this case the deformation mechanism leads to discontinuities. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical devoted to Quantum physics with non-Hermitian operators.

  3. Cyclicity of some symmetric nilpotent centers

    NASA Astrophysics Data System (ADS)

    García, Isaac A.

    2016-03-01

    In this work we present techniques for bounding the cyclicity of a wide class of monodromic nilpotent singularities of symmetric polynomial planar vector fields. The starting point is identifying a broad family of nilpotent symmetric fields for which existence of a center is equivalent to existence of a local analytic first integral, which, unlike the degenerate case, is not true in general for nilpotent singularities. We are able to relate so-called "focus quantities" to the "Poincaré-Lyapunov quantities" arising from the Poincaré first return map. When we apply the method to concrete examples, we show in some cases that the upper bound is sharp. Our approach is based on computational algebra methods for determining a minimal basis (constructed by focus quantities instead of by Poincaré-Lyapunov quantities because of the easier computability of the former) of the associated polynomial Bautin ideal in the parameter space of the family. The case in which the Bautin ideal is not radical is also treated.

  4. Spherically Symmetric Solutions of Light Galileon

    NASA Astrophysics Data System (ADS)

    Momeni, D.; Houndjo, M. J. S.; Güdekli, E.; Rodrigues, M. E.; Alvarenga, F. G.; Myrzakulov, R.

    2016-02-01

    We have been studied the model of light Galileon with translational shift symmetry ϕ → ϕ + c. The matter Lagrangian is presented in the form {L}_{φ }= -η (partial φ )2+β G^{μ ν }partial _{μ }φ partial _{ν }φ . We have been addressed two issues: the first is that, we have been proven that, this type of Galileons belong to the modified matter-curvature models of gravity in type of f(R,R^{μ ν }T_{μ ν }m). Secondly, we have been investigated exact solution for spherically symmetric geometries in this model. We have been found an exact solution with singularity at r = 0 in null coordinates. We have been proven that the solution has also a non-divergence current vector norm. This solution can be considered as an special solution which has been investigated in literature before, in which the Galileon's field is non-static (time dependence). Our scalar-shift symmetrized Galileon has the simple form of ϕ = t, which it is remembered by us dilaton field.

  5. Fast numerical determination of symmetric sparsity patterns

    SciTech Connect

    Carter, R.G.

    1994-08-01

    The author considers a function g: {Re}{sup n} {yields} {Re}{sup n} for which the Jacobian is symmetric and sparse. Such functions often arise, for instance, in numerical optimization, where g is the gradient of some objective function f so that the Jacobian of g is the Hessian of f. In many such applications one can generate extremely efficient algorithms by taking advantage of the sparsity structure of the problem if this pattern is known a priori. Unfortunately, determining such sparsity structures by hand is often difficult and prone to error. If one suspects a mistake has been made, or if g is a {open_quotes}black box{close_quotes} so that the true structure is completely unknown, one often has no alternative but to compute the entire matrix by finite differences - a prohibitively expensive task for large problems. The author shows that it is possible to numerically determine symmetric sparsity patterns using a relatively small number of g evaluations. Numerical results are shown for n up to 100,000 in which all nonzeros in the Jacobian are correctly identified in about one-hundredth of the time required to estimate the sparsity structure by a full finite difference calculation. When a good initial guess for the sparsity structure is available, numerical results are presented for n up to 500,000, in which all missing nonzeros are correctly located almost five-thousand times faster than would be possible with a full finite difference calculation.

  6. Matrix isolation ESR spectroscopy and magnetic anisotropy of D3h symmetric septet trinitrenes

    NASA Astrophysics Data System (ADS)

    Misochko, Eugenii Ya.; Akimov, Alexander V.; Masitov, Artem A.; Korchagin, Denis V.; Aldoshin, Sergei M.; Chapyshev, Sergei V.

    2013-05-01

    The fine-structure (FS) parameters D of a series of D3h symmetric septet trinitrenes were analyzed theoretically using density functional theory (DFT) calculations and compared with the experimental D values derived from ESR spectra. ESR studies show that D3h symmetric septet 1,3,5-trichloro-2,4,6-trinitrenobenzene with D = -0.0957 cm-1 and E = 0 cm-1 is the major paramagnetic product of the photolysis of 1,3,5-triazido-2,4,6-trichlorobenzene in solid argon matrices at 15 K. Trinitrenes of this type display in the powder X-band ESR spectra intense Z1-transition at very low magnetic fields, the position of which allows one to precisely calculate the parameter D of such molecules. Thus, our revision of the FS parameters of well-known 1,3,5-tricyano-2,4,6-trinitrenobenzene [E. Wasserman, K. Schueller, and W. A. Yager, Chem. Phys. Lett. 2, 259 (1968), 10.1016/0009-2614(68)85019-5] shows that this trinitrene has |D| = 0.092 cm-1 and E = 0 cm-1. DFT calculations reveal that, unlike C2v symmetric septet trinitrenes, D3h symmetric trinitrenes have the same orientations of the spin-spin coupling tensor hat D_{SS} and the spin-orbit coupling tensor hat D_{SOC} and, as a result, have negative signs for both the DSS and DSOC values. The negative magnetic anisotropy of septet 2,4,6-trinitrenobenzenes is considerably strengthened on introduction of heavy atoms in the molecules, owing to an increase in contributions of various excitation states to the DSOC term.

  7. Matrix isolation ESR spectroscopy and magnetic anisotropy of D{sub 3h} symmetric septet trinitrenes

    SciTech Connect

    Misochko, Eugenii Ya.; Akimov, Alexander V.; Masitov, Artem A.; Korchagin, Denis V.; Aldoshin, Sergei M.; Chapyshev, Sergei V.

    2013-05-28

    The fine-structure (FS) parameters D of a series of D{sub 3h} symmetric septet trinitrenes were analyzed theoretically using density functional theory (DFT) calculations and compared with the experimental D values derived from ESR spectra. ESR studies show that D{sub 3h} symmetric septet 1,3,5-trichloro-2,4,6-trinitrenobenzene with D=-0.0957 cm{sup -1} and E= 0 cm{sup -1} is the major paramagnetic product of the photolysis of 1,3,5-triazido-2,4,6-trichlorobenzene in solid argon matrices at 15 K. Trinitrenes of this type display in the powder X-band ESR spectra intense Z{sub 1}-transition at very low magnetic fields, the position of which allows one to precisely calculate the parameter D of such molecules. Thus, our revision of the FS parameters of well-known 1,3,5-tricyano-2,4,6-trinitrenobenzene [E. Wasserman, K. Schueller, and W. A. Yager, Chem. Phys. Lett. 2, 259 (1968)] shows that this trinitrene has Double-Vertical-Line D Double-Vertical-Line = 0.092 cm{sup -1} and E= 0 cm{sup -1}. DFT calculations reveal that, unlike C{sub 2v} symmetric septet trinitrenes, D{sub 3h} symmetric trinitrenes have the same orientations of the spin-spin coupling tensor D-caret{sub SS} and the spin-orbit coupling tensor D-caret{sub SOC} and, as a result, have negative signs for both the D{sub SS} and D{sub SOC} values. The negative magnetic anisotropy of septet 2,4,6-trinitrenobenzenes is considerably strengthened on introduction of heavy atoms in the molecules, owing to an increase in contributions of various excitation states to the D{sub SOC} term.

  8. Top 10 Products of 2011

    ERIC Educational Resources Information Center

    American School & University, 2011

    2011-01-01

    In 2011, American School & University (AS&U) showcased some of the hottest products in the industry. This article presents the top ten most requested products as determined by readers. The top one on the list is the Bulb crusher which can cut recycling costs by 50%, can hold 1,350 4-foot lamps in a single 55-gallon drum, can crush a 4-foot lamp in…

  9. Top 10 Products of 2011

    ERIC Educational Resources Information Center

    American School & University, 2011

    2011-01-01

    In 2011, American School & University (AS&U) showcased some of the hottest products in the industry. This article presents the top ten most requested products as determined by readers. The top one on the list is the Bulb crusher which can cut recycling costs by 50%, can hold 1,350 4-foot lamps in a single 55-gallon drum, can crush a 4-foot lamp in

  10. Decay Structure for Symmetric Hyperbolic Systems with Non-Symmetric Relaxation and its Application

    NASA Astrophysics Data System (ADS)

    Ueda, Yoshihiro; Duan, Renjun; Kawashima, Shuichi

    2012-07-01

    This paper is concerned with the decay structure for linear symmetric hyperbolic systems with relaxation. When the relaxation matrix is symmetric, the dissipative structure of the systems is completely characterized by the Kawashima-Shizuta stability condition formulated in Umeda et al. (Jpn J Appl Math 1:435-457, 1984) and Shizuta and Kawashima (Hokkaido Math J 14:249-275, 1985) and we obtain the asymptotic stability result together with the explicit time-decay rate under that stability condition. However, some physical models which satisfy the stability condition have non-symmetric relaxation term (for example, the Timoshenko system and the Euler-Maxwell system). Moreover, it had been already known that the dissipative structure of such systems is weaker than the standard type and is of the regularity-loss type (see Duan in J Hyperbolic Differ Equ 8:375-413, 2011; Ide et al. in Math Models Meth Appl Sci 18:647-667, 2008; Ide and Kawashima in Math Models Meth Appl Sci 18:1001-1025, 2008; Ueda et al. in SIAM J Math Anal 2012; Ueda and Kawashima in Methods Appl Anal 2012). Therefore our purpose in this paper is to formulate a new structural condition which includes the Kawashima-Shizuta condition, and to analyze the weak dissipative structure for general systems with non-symmetric relaxation.

  11. Uncovering the single top: observation of electroweak top quark production

    SciTech Connect

    Benitez, Jorge Armando; /Michigan State U.

    2009-08-01

    The top quark is generally produced in quark and anti-quark pairs. However, the Standard Model also predicts the production of only one top quark which is mediated by the electroweak interaction, known as 'Single Top'. Single Top quark production is important because it provides a unique and direct way to measure the CKM matrix element V{sub tb}, and can be used to explore physics possibilities beyond the Standard Model predictions. This dissertation presents the results of the observation of Single Top using 2.3 fb{sup -1} of Data collected with the D0 detector at the Fermilab Tevatron collider. The analysis includes the Single Top muon+jets and electron+jets final states and employs Boosted Decision Tress as a method to separate the signal from the background. The resulting Single Top cross section measurement is: (1) {sigma}(p{bar p} {yields} tb + X, tqb + X) = 3.74{sub -0.74}{sup +0.95} pb, where the errors include both statistical and systematic uncertainties. The probability to measure a cross section at this value or higher in the absence of signal is p = 1.9 x 10{sup -6}. This corresponds to a standard deviation Gaussian equivalence of 4.6. When combining this result with two other analysis methods, the resulting cross section measurement is: (2) {sigma}(p{bar p} {yields} tb + X, tqb + X) = 3.94 {+-} 0.88 pb, and the corresponding measurement significance is 5.0 standard deviations.

  12. SW New Mexico Oil Well Formation Tops

    SciTech Connect

    Shari Kelley

    2015-10-21

    Rock formation top picks from oil wells from southwestern New Mexico from scout cards and other sources. There are differing formation tops interpretations for some wells, so for those wells duplicate formation top data are presented in this file.

  13. Force Field Calculation with a Top Desk Calculator

    NASA Astrophysics Data System (ADS)

    Ali, Jafar H.; Shanshal, Muthanna

    1981-04-01

    A modified "Consistent Force Field " method is described in which the energy minimization is carried out according to the Murtagh-Sargent method rather than the Newton-Raphson method and the number of non-bonded interactions is reduced to interactions between atoms separated by three bonds at the most. The smaller number of interaction terms allowed the programming of the method for a desk top calculator (HP-9810). Calculations are reported for a number of aliphatic molecules

  14. Theory of the acoustical properties of symmetric multilayer structures

    NASA Astrophysics Data System (ADS)

    Martin, B. G.

    1989-09-01

    A theoretical investigation has been made of the acoustical properties of symmetrical multilayer structures. Acoustic symmetric multilayers (ASMs) exhibit behavior analogous to that of optical symmetric multilayers. For a three-layer ASM, a range of effective acoustic impedances is possible merely by varying the thickness of the middle layer for a given frequency. This has the advantage that one can design an antireflection coating for virtually any substrate impedance. Some illustrative examples are given.

  15. Uplift of symmetrical anchor plates by using grid-fixed reinforced reinforcement in cohesionless soil

    NASA Astrophysics Data System (ADS)

    Niroumand, Hamed; Kassim, Khairul Anuar

    2014-03-01

    Uplift response of symmetrical anchor plates with and without grid fixed reinforced (GFR) reinforcement was evaluated in model tests and numerical simulations by Plaxis. Many variations of reinforcement layers were used to reinforce the sandy soil over symmetrical anchor plates. In the current research, different factors such as relative density of sand, embedment ratios, and various GFR parameters including size, number of layers, and the proximity of the layer to the symmetrical anchor plate were investigated in a scale model. The failure mechanism and the associated rupture surface were observed and evaluated. GFR, a tied up system made of fiber reinforcement polymer (FRP) strips and end balls, was connected to the geosynthetic material and anchored into the soil. Test results showed that using GFR reinforcement significantly improved the uplift capacity of anchor plates. It was found that the inclusion of one layer of GFR, which rested directly on the top of the anchor plate, was more effective in enhancing the anchor capacity itself than other methods. It was found that by including GFR the uplift response was improved by 29%. Multi layers of GFR proved more effective in enhancing the uplift capacity than a single GFR reinforcement. This is due to the additional anchorage provided by the GFR at each level of reinforcement. In general, the results show that the uplift capacity of symmetrical anchor plates in loose and dense sand can be significantly increased by the inclusion of GFR. It was also observed that the inclusion of GFR reduced the requirement for a large L/D ratio to achieve the required uplift capacity. The laboratory and numerical analysis results are found to be in agreement in terms of breakout factor and failure mechanism pattern.

  16. Parametric separation of symmetric pure quantum states

    NASA Astrophysics Data System (ADS)

    Solís-Prosser, M. A.; Delgado, A.; Jiménez, O.; Neves, L.

    2016-01-01

    Quantum state separation is a probabilistic map that transforms a given set of pure states into another set of more distinguishable ones. Here we investigate such a map acting onto uniparametric families of symmetric linearly dependent or independent quantum states. We obtained analytical solutions for the success probability of the maps—which is shown to be optimal—as well as explicit constructions in terms of positive operator valued measures. Our results can be used for state discrimination strategies interpolating continuously between minimum-error and unambiguous (or maximum-confidence) discrimination, which, in turn, have many applications in quantum information protocols. As an example, we show that quantum teleportation through a nonmaximally entangled quantum channel can be accomplished with higher probability than the one provided by unambiguous (or maximum-confidence) discrimination and with higher fidelity than the one achievable by minimum-error discrimination. Finally, an optical network is proposed for implementing parametric state separation.

  17. Highly symmetric POVMs and their informational power

    NASA Astrophysics Data System (ADS)

    S?omczy?ski, Wojciech; Szymusiak, Anna

    2015-11-01

    We discuss the dependence of the Shannon entropy of normalized finite rank-1 POVMs on the choice of the input state, looking for the states that minimize this quantity. To distinguish the class of measurements where the problem can be solved analytically, we introduce the notion of highly symmetric POVMs and classify them in dimension 2 (for qubits). In this case, we prove that the entropy is minimal, and hence, the relative entropy (informational power) is maximal, if and only if the input state is orthogonal to one of the states constituting a POVM. The method used in the proof, employing the Michel theory of critical points for group action, the Hermite interpolation, and the structure of invariant polynomials for unitary-antiunitary groups, can also be applied in higher dimensions and for other entropy-like functions. The links between entropy minimization and entropic uncertainty relations, the Wehrl entropy, and the quantum dynamical entropy are described.

  18. Consistency of PT-symmetric quantum mechanics

    NASA Astrophysics Data System (ADS)

    Brody, Dorje C.

    2016-03-01

    In recent reports, suggestions have been put forward to the effect that parity and time-reversal (PT) symmetry in quantum mechanics is incompatible with causality. It is shown here, in contrast, that PT-symmetric quantum mechanics is fully consistent with standard quantum mechanics. This follows from the surprising fact that the much-discussed metric operator on Hilbert space is not physically observable. In particular, for closed quantum systems in finite dimensions there is no statistical test that one can perform on the outcomes of measurements to determine whether the Hamiltonian is Hermitian in the conventional sense, or PT-symmetric—the two theories are indistinguishable. Nontrivial physical effects arising as a consequence of PT symmetry are expected to be observed, nevertheless, for open quantum systems with balanced gain and loss.

  19. Minimal Left-Right Symmetric Dark Matter.

    PubMed

    Heeck, Julian; Patra, Sudhanwa

    2015-09-18

    We show that left-right symmetric models can easily accommodate stable TeV-scale dark matter particles without the need for an ad hoc stabilizing symmetry. The stability of a newly introduced multiplet either arises accidentally as in the minimal dark matter framework or comes courtesy of the remaining unbroken Z_{2} subgroup of B-L. Only one new parameter is introduced: the mass of the new multiplet. As minimal examples, we study left-right fermion triplets and quintuplets and show that they can form viable two-component dark matter. This approach is, in particular, valid for SU(2)SU(2)U(1) models that explain the recent diboson excess at ATLAS in terms of a new charged gauge boson of mass 2 TeV. PMID:26430988

  20. Minimal Left-Right Symmetric Dark Matter

    NASA Astrophysics Data System (ADS)

    Heeck, Julian; Patra, Sudhanwa

    2015-09-01

    We show that left-right symmetric models can easily accommodate stable TeV-scale dark matter particles without the need for an ad hoc stabilizing symmetry. The stability of a newly introduced multiplet either arises accidentally as in the minimal dark matter framework or comes courtesy of the remaining unbroken Z2 subgroup of B -L . Only one new parameter is introduced: the mass of the new multiplet. As minimal examples, we study left-right fermion triplets and quintuplets and show that they can form viable two-component dark matter. This approach is, in particular, valid for S U (2 )×S U (2 )×U (1 ) models that explain the recent diboson excess at ATLAS in terms of a new charged gauge boson of mass 2 TeV.

  1. Pseudo-Z symmetric space-times

    SciTech Connect

    Mantica, Carlo Alberto; Suh, Young Jin

    2014-04-15

    In this paper, we investigate Pseudo-Z symmetric space-time manifolds. First, we deal with elementary properties showing that the associated form A{sub k} is closed: in the case the Ricci tensor results to be Weyl compatible. This notion was recently introduced by one of the present authors. The consequences of the Weyl compatibility on the magnetic part of the Weyl tensor are pointed out. This determines the Petrov types of such space times. Finally, we investigate some interesting properties of (PZS){sub 4} space-time; in particular, we take into consideration perfect fluid and scalar field space-time, and interesting properties are pointed out, including the Petrov classification. In the case of scalar field space-time, it is shown that the scalar field satisfies a generalized eikonal equation. Further, it is shown that the integral curves of the gradient field are geodesics. A classical method to find a general integral is presented.

  2. Quasiaxially symmetric stellarators with three field periods

    SciTech Connect

    Garabedian, P.; Ku, L.

    1999-03-01

    Compact hybrid configurations with two field periods have been studied recently as candidates for a proof of principle experiment at the Princeton Plasma Physics Laboratory. This project has led us to the discovery of a family of quasiaxially symmetric stellarators with three field periods that have significant advantages, although their aspect ratios are a little larger. They have reversed shear and perform better in a local analysis of ballooning modes. Nonlinear equilibrium and stability calculations predict that the average beta limit will be at least as high as 4{percent} if the bootstrap current turns out to be as big as that expected in comparable tokamaks. The concept relies on a combination of helical fields and bootstrap current to achieve adequate rotational transform at low aspect ratio. {copyright} {ital 1999 American Institute of Physics.}

  3. Symmetric Satellite Swarms and Choreographic Crystals.

    PubMed

    Boyle, Latham; Khoo, Jun Yong; Smith, Kendrick

    2016-01-01

    In this Letter, we introduce a natural dynamical analogue of crystalline order, which we call choreographic order. In an ordinary (static) crystal, a high degree of symmetry may be achieved through a careful arrangement of the fundamental repeated elements. In the dynamical analogue, a high degree of symmetry may be achieved by having the fundamental elements perform a carefully choreographed dance. For starters, we show how to construct and classify all symmetric satellite constellations. Then we explain how to generalize these ideas to construct and classify choreographic crystals more broadly. We introduce a quantity, called the "choreography" of a given configuration. We discuss the possibility that some (naturally occurring or artificial) many-body or condensed-matter systems may exhibit choreographic order, and suggest natural experimental signatures that could be used to identify and characterize such systems. PMID:26799028

  4. Cosmic ray antimatter and baryon symmetric cosmology

    NASA Technical Reports Server (NTRS)

    Stecker, F. W.; Protheroe, R. J.; Kazanas, D.

    1982-01-01

    The relative merits and difficulties of the primary and secondary origin hypotheses for the observed cosmic-ray antiprotons, including the new low-energy measurement of Buffington, et al. We conclude that the cosmic-ray antiproton data may be evidence for antimatter galaxies and baryon symmetric cosmology. The present bar P data are consistent with a primary extragalactic component having /p=/equiv 1+/- 3.2/0.7x10 = to the -4 independent of energy. We propose that the primary extragalactic cosmic ray antiprotons are most likely from active galaxies and that expected disintegration of bar alpha/alpha ban alpha/alpha. We further predict a value for ban alpha/alpha =/equiv 10 to the -5, within range of future cosmic ray detectors.

  5. Cracked shells under skew-symmetric loading

    NASA Technical Reports Server (NTRS)

    Lelale, F.

    1982-01-01

    A shell containing a through crack in one of the principal planes of curvature and under general skew-symmetric loading is considered. By employing a Reissner type shell theory which takes into account the effect of transverse shear strains, all boundary conditions on the crack surfaces are satisfied separately. Consequently, unlike those obtained from the classical shell theory, the angular distributions of the stress components around the crack tips are shown to be identical to the distributions obtained from the plane and antiplane elasticity solutions. Extensive results are given for axially and circumferentially cracked cylindrical shells, spherical shells, and toroidal shells under uniform inplane shearing, out of plane shearing, and torsion. The effect of orthotropy on the results is also studied.

  6. VACUUM calculation in azimuthally symmetric geometry

    SciTech Connect

    Chance, M.S.

    1996-11-01

    A robustly accurate and effective method is presented to solve Laplace`s equation in general azimuthally symmetric geometry for the magnetic scalar potential in the region surrounding a plasma discharge which may or may not contain external conducting shells. These shells can be topologically toroidal or spherical, and may have toroidal gaps in them. The solution is incorporated into the various MHD stability codes either through the volume integrated perturbed magnetic energy in the vacuum region or through the continuity requirements for the normal component of the perturbed magnetic field and the total perturbed pressure across the unperturbed plasma-vacuum boundary. The method is based upon using Green`s second identity and the method of collocation. As useful byproducts, the eddy currents and the simulation of Mirnov loop measurements are calculated.

  7. Highly symmetric POVMs and their informational power

    NASA Astrophysics Data System (ADS)

    Słomczyński, Wojciech; Szymusiak, Anna

    2016-01-01

    We discuss the dependence of the Shannon entropy of normalized finite rank-1 POVMs on the choice of the input state, looking for the states that minimize this quantity. To distinguish the class of measurements where the problem can be solved analytically, we introduce the notion of highly symmetric POVMs and classify them in dimension 2 (for qubits). In this case, we prove that the entropy is minimal, and hence, the relative entropy (informational power) is maximal, if and only if the input state is orthogonal to one of the states constituting a POVM. The method used in the proof, employing the Michel theory of critical points for group action, the Hermite interpolation, and the structure of invariant polynomials for unitary-antiunitary groups, can also be applied in higher dimensions and for other entropy-like functions. The links between entropy minimization and entropic uncertainty relations, the Wehrl entropy, and the quantum dynamical entropy are described.

  8. Symmetric Satellite Swarms and Choreographic Crystals

    NASA Astrophysics Data System (ADS)

    Boyle, Latham; Khoo, Jun Yong; Smith, Kendrick

    2016-01-01

    In this Letter, we introduce a natural dynamical analogue of crystalline order, which we call choreographic order. In an ordinary (static) crystal, a high degree of symmetry may be achieved through a careful arrangement of the fundamental repeated elements. In the dynamical analogue, a high degree of symmetry may be achieved by having the fundamental elements perform a carefully choreographed dance. For starters, we show how to construct and classify all symmetric satellite constellations. Then we explain how to generalize these ideas to construct and classify choreographic crystals more broadly. We introduce a quantity, called the "choreography" of a given configuration. We discuss the possibility that some (naturally occurring or artificial) many-body or condensed-matter systems may exhibit choreographic order, and suggest natural experimental signatures that could be used to identify and characterize such systems.

  9. Decomposition of separable and symmetric convex templates

    NASA Astrophysics Data System (ADS)

    Li, Dong; Ritter, Gerhard X.

    1990-11-01

    Convolutions are a fundamental tool in image processing. Classical examples of 2-dimensional linear convolutions include image correlation the mean filter the discrete Fourier transform and a multitude of edge mask filers. Nonlinear convolutions are used in such operations as the median filter the medial axis transform and erosions and dilations as defined in mathematical morphology. For large convolution mask the computation cost resulting from implementation can be prohibitive. However in many instances this cost can be significantly reduced by decomposing the masks or templates into a sequence of smaller templates. In addition such decompositions can often be made architecture specific and thus resulting in optimal transform performance. In this paper the issues of template decomposition are discussed in the context of the image algebra. Necessary and sufficient conditions as well as some efficient methods for decomposing rectangular symmetric convex and spherical templates are presented.

  10. Magnetic control of a meta-molecule.

    PubMed

    Stenning, Gavin B G; Bowden, Graham J; Maple, Lewis C; Gregory, Simon A; Sposito, Alberto; Eason, Robert W; Zheludev, Nikolay I; de Groot, Peter A J

    2013-01-28

    Metamaterials offer the prospect of new science and applications. They have been designed by shaping or changing the material of the individual meta-molecules to achieve properties not naturally attainable. Composite meta-molecules incorporating a magnetic component offer new opportunities. In this work we report on the interaction between a non-magnetic split ring resonator (SRR) and a thin film of yttrium iron garnet (YIG). Strong hybridized resonances are observed. While the SRR is characterized by a magnetic and electric resonance, in practice, it is found that the YIG couples strongly to this symmetric (electric) mode of the SRR. It is also demonstrated that the anti-crossing region provides fertile ground for the creation of elementary excitations such as backward volume magnetostatic waves. PMID:23389127

  11. Nonlinear dynamic analysis of quasi-symmetric anisotropic structures

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K.; Peters, Jeanne M.

    1987-01-01

    An efficient computational method for the nonlinear dynamic analysis of quasi-symmetric anisotropic structures is proposed. The application of mixed models simplifies the analytical development and improves the accuracy of the response predictions, and operator splitting allows the reduction of the analysis model of the quasi-symmetric structure to that of the corresponding symmetric structure. The preconditoned conjugate gradient provides a stable and effective technique for generating the unsymmetric response of the structure as the sum of a symmetrized response plus correction modes. The effectiveness of the strategy is demonstrated with the example of a laminated anisotropic shallow shell of quadrilateral planform subjected to uniform normal loading.

  12. Passive PT -symmetric couplers without complex optical potentials

    NASA Astrophysics Data System (ADS)

    Lee, Yi-Chan; Liu, Jibing; Chuang, You-Lin; Hsieh, Min-Hsiu; Lee, Ray-Kuang

    2015-11-01

    In addition to the implementation of parity-time-(PT -) symmetric optical systems by carefully and actively controlling the gain and loss, we show that a 2 ×2 PT -symmetric Hamiltonian has a unitarily equivalent representation without complex optical potentials in the resulting optical coupler. Through the Naimark dilation in operator algebra, passive PT -symmetric couplers can thus be implemented with a refractive index of real values and asymmetric coupling coefficients. This opens up the possibility to implement general PT -symmetric systems with state-of-the-art asymmetric slab waveguides, dissimilar optical fibers, or cavities with chiral mirrors.

  13. Entanglement equivalence of N-qubit symmetric states

    SciTech Connect

    Mathonet, P.; Krins, S.; Bastin, T.; Godefroid, M.; Solano, E.

    2010-05-15

    We study the interconversion of multipartite symmetric N-qubit states under stochastic local operations and classical communication (SLOCC). We demonstrate that if two symmetric states can be connected with a nonsymmetric invertible local operation (ILO), then they belong necessarily to the separable, W, or Greenberger-Horne-Zeilinger (GHZ) entanglement class, establishing a practical method of discriminating subsets of entanglement classes. Furthermore, we prove that there always exists a symmetric ILO connecting any pair of symmetric N-qubit states equivalent under SLOCC, simplifying the requirements for experimental implementations of local interconversion of those states.

  14. Covariant approach for perturbations of rotationally symmetric spacetimes

    SciTech Connect

    Clarkson, Chris

    2007-11-15

    We present a covariant decomposition of Einstein's field equations which is particularly suitable for perturbations of spherically symmetric - and general locally rotationally symmetric - spacetimes. Based upon the utility of the 1+3 covariant approach to perturbation theory in cosmology, the semi-tetrad, 1+1+2 approach presented here should be useful for analyzing perturbations of a variety of systems in a covariant and gauge-invariant manner. Such applications range from stellar objects to cosmological models such as the spherically symmetric Lemaitre-Tolman-Bondi solutions or the class of locally rotationally symmetric Bianchi models.

  15. Symmetric Resonance Charge Exchange Cross Section Based on Impact Parameter Treatment

    NASA Technical Reports Server (NTRS)

    Omidvar, Kazem; Murphy, Kendrah; Atlas, Robert (Technical Monitor)

    2002-01-01

    Using a two-state impact parameter approximation, a calculation has been carried out to obtain symmetric resonance charge transfer cross sections between nine ions and their parent atoms or molecules. Calculation is based on a two-dimensional numerical integration. The method is mostly suited for hydrogenic and some closed shell atoms. Good agreement has been obtained with the results of laboratory measurements for the ion-atom pairs H+-H, He+-He, and Ar+-Ar. Several approximations in a similar published calculation have been eliminated.

  16. Top-of-barrier electrons

    NASA Astrophysics Data System (ADS)

    Macek, J. H.

    1997-04-01

    The energy and angular distribution of electrons ejected from one-electron species by fast ion impact show two noticable features, namely, the binary encounter ridge and the continuum capture cusp. No other features have been conclusively identified although there has been some contradictory evidence for a third feature, namely, saddle point or top-of-barrier electrons. For electrons ejected from atoms by ions with velocities below the mean electron velocity in the initial state, both the binary encounter ridge and the continuum capture cusp are suppressed. In this region the top-of-barrier mechanism is predicted to contribute strongly to ionization. Theoretical and experimental evidence for the associated top-of-barrier electrons is reviewed.

  17. Resolution by Unassisted Top3 Points to Template Switch Recombination Intermediates during DNA Replication*

    PubMed Central

    Glineburg, M. Rebecca; Chavez, Alejandro; Agrawal, Vishesh; Brill, Steven J.; Johnson, F. Brad

    2013-01-01

    The evolutionarily conserved Sgs1/Top3/Rmi1 (STR) complex plays vital roles in DNA replication and repair. One crucial activity of the complex is dissolution of toxic X-shaped recombination intermediates that accumulate during replication of damaged DNA. However, despite several years of study the nature of these X-shaped molecules remains debated. Here we use genetic approaches and two-dimensional gel electrophoresis of genomic DNA to show that Top3, unassisted by Sgs1 and Rmi1, has modest capacities to provide resistance to MMS and to resolve recombination-dependent X-shaped molecules. The X-shaped molecules have structural properties consistent with hemicatenane-related template switch recombination intermediates (Rec-Xs) but not Holliday junction (HJ) intermediates. Consistent with these findings, we demonstrate that purified Top3 can resolve a synthetic Rec-X but not a synthetic double HJ in vitro. We also find that unassisted Top3 does not affect crossing over during double strand break repair, which is known to involve double HJ intermediates, confirming that unassisted Top3 activities are restricted to substrates that are distinct from HJs. These data help illuminate the nature of the X-shaped molecules that accumulate during replication of damaged DNA templates, and also clarify the roles played by Top3 and the STR complex as a whole during the resolution of replication-associated recombination intermediates. PMID:24100144

  18. High-Resolution Infrared Spectroscopy Slit-Jet Cooled Hydroxymethyl Radical (CH_2OH): CH Symmetric Stretching Mode

    NASA Astrophysics Data System (ADS)

    Wang, Fang; Chang, Chih-Hsuan; Nesbitt, David

    2014-06-01

    Hydroxymethyl radical (CH_2OH) plays an important role in combustion and environmental chemistry as a reactive intermediate. Reisler's group published the first rotationally resolved spectroscopy of CH_2OH with determined band origins for fundamental CH symmetric stretch state, CH asymmetric stretch state and OH stretch state, respectively. Here CH_2OH was first studied via sub-Doppler infrared spectroscopy in a slit-jet supersonic discharge expansion source. Rotationally resolved direct absorption spectra in the CH symmetric stretching mode were recorded. As a result of the low rotational temperature and sub-Doppler linewidths, the tunneling splittings due to the large amplitude of COH torsion slightly complicate the spectra. Each of the ground vibration state and the CH symmetric stretch state includes two levels. One level, with a 3:1 nuclear spin statistic ratio for Ka=0+/Ka=1+, is labeled as ``+". The other tunneling level, labeled as ``-", has Ka=0-/Ka=1- states with 1:3 nuclear spin statistics. Except for the Ka=0+ ? 0+ band published before, more bands (Ka=1+ ? 1+, Ka=0- ? 0- and Ka=1- ? 1-) were identified. The assigned transitions were fit to a Watson A-reduced symmetric top Hamiltonian to improve the accuracy of the band origin of CH symmetric state. The rotational parameters for both ground and CH symmetric stretch state were well determined. L. Feng, J. Wei and H. Reisler, J. Phys. Chem. A, Vol. 108. M. A. Roberts, E. N. Sharp-Williams and D. J. Nesbitt, J. Phys. Chem. A 2013, 117, 7042-7049

  19. Simultaneous Evaluation of Multiple Rotationally Excited States of Floppy Molecules Using Diffusion Monte Carlo

    NASA Astrophysics Data System (ADS)

    McCoy, Anne B.; Ford, Jason E.; Marlett, Melanie L.; Petit, Andrew S.

    2014-06-01

    In this work, an extension to diffusion Monte Carlo (DMC) is proposed, allowing for the simultaneous calculation of the energy and wave function of multiple rotationally excited states of floppy molecules. The total wave function is expanded into a set of Dirac ?-functions called walkers, while the rotational portion of the wave function is expanded in a symmetric top basis set. Each walker is given a rotational state vector containing coefficients for all states of interest. The positions of the atoms and the coefficients in the state vector evolve according to the split operator approximation of the quantum propagator. The method was benchmarked by comparing calculated rotation-vibration energies for H_3^+, H_2D^+, and H_3O^+ to experimental values. For low to moderate values of J, the resulting energies are within the statistical uncertainty of the calculation. Rotation-vibration coupling is captured through flexibility introduced in the form of the vibrational wave function. This coupling is found to increase with increasing J-values. Based on the success achieved through these systems, the method was applied to CH_5^+ and its deuterated isotopologues for v = 0, J ? 10. Based on these calculations, the energy level structure of CH_5^+ is found to resemble that for a of a spherical top, and excitations up to J = 10 displayed insignificant rotation-vibration coupling. Extensions of this approach that explicitly account for vibrations will also be discussed. ` A. S. Petit, J. E. Ford and A. B. McCoy, J. Phys. Chem. A, in press, K. D. Jordan Festschrift, DOI: 10.1021/jp408821a

  20. Exploring Rotation-Vibration Coupling in Highly Fluxional Molecules Using Surface Hopping Diffusion Monte Carlo

    NASA Astrophysics Data System (ADS)

    Petit, Andrew S.; McCoy, Anne B.

    2012-06-01

    Diffusion Monte Carlo (DMC) has widely been shown to be a powerful technique for studying ro-vibrational states of highly fluxional molecules and clusters. An extension of DMC to multiple potential energy surfaces (PESs) based on the Tully surface hopping approach has previously been developed by our group. Here, we report an application of this approach to the calculation of rotationally excited states of systems with pronounced rotation-vibration coupling and large-amplitude, zero-point vibrational motion. More specifically, for a chosen value of J, each walker in the DMC ensemble is expanded in a symmetric top basis. The expansion coefficients are updated each time-step based on the action of the rigid-rotor asymmetric top Hamiltonian. This Hamiltonian is constructed using the inverse moment of inertia tensor evaluated in the Eckart frame at the walker's position in configuration space. Each walker is then localized onto a single, K-dependent effective PES, and the effective potential energy associated with the walker's position on that surface determines the evolution of its weight in the DMC ensemble. Preliminary results of the application of this methodology to model systems such as H_3^+ and H_2D^+ will be discussed as well as its prospect for accurately evaluating ro-vibrational states of systems like CH_5^+. Finally, a comparison of this technique with our previously developed fixed-node DMC approach for the evaluation of ro-vibrational energies and wave functions will be presented. J. C. Tully, J. Chem. Phys. 93, 1061 (1990). A.B. McCoy, Chem. Phys. Lett. 321, 71 (2000). A. S. Petit, B. A. Wellen, and A. B. McCoy, J. Chem. Phys. 136, 074101 (2012).

  1. Structural tailoring effects on the magnetic behavior of symmetric and asymmetric cubane-type Ni complexes.

    PubMed

    Ponomaryov, Alexey N; Kim, Namseok; Hwang, Jaewon; Nojiri, Hiroyuki; van Tol, Johan; Ozarowski, Andrew; Park, Jena; Jang, Zeehoon; Suh, Byoungjin; Yoon, Sungho; Choi, Kwang-Yong

    2013-06-01

    Using two kinds of carboxylate ligands with small but significant differences in steric size, symmetric and asymmetric Fe(II) and Ni(II) cubanes have been synthesized in a controlled fashion. Fast sweeping pulsed field measurements showed magnetization hysteresis loops for two cubane-type molecular complexes, [Ni4(?-OMe)4(O2CAr(4F-Ph))4(HOMe)8] and [Ni4(?-OMe)4(O2CAr(Tol))4(HOMe)6], thus suggesting single-molecule magnet behavior. To differentiate the magnetic properties between the symmetric and asymmetric cubanes, detailed electron paramagnetic resonance (EPR) measurements were performed. From the EPR data, taken at various frequencies and temperatures, zero-field splitting parameters D, E, and other higher-order parameters for both cubane samples were extracted. Compared to the symmetric Ni-cubane, the asymmetric one shows an increase in the D and E values by about 20%, thereby suggesting structural engineering effects on the magnetic properties. By using the magnetic parameters determined by EPR, a static magnetization curve at 2?K and a temperature dependence of the magnetic susceptibility were simulated. A good agreement between theoretical and experimental data confirms the validity of the values obtained from EPR measurements. PMID:23509044

  2. Training Top 10 Hall of Fame

    ERIC Educational Resources Information Center

    Training, 2012

    2012-01-01

    Microsoft Corporation and SCC Soft Computer are the newest inductees into the Training Top 10 Hall of Fame, joining the ranks of the 11 companies named to the hall since its inception in 2008 (Wyeth Pharmaceuticals subsequently was acquired by Pfizer Inc. in 2009). These 11 companies held Top 10 spots in the Training Top 50, Top 100, and now Top…

  3. A natural symmetrization for the plummer potential

    NASA Astrophysics Data System (ADS)

    Saitoh, Takayuki R.; Makino, Junichiro

    2012-02-01

    We propose a symmetrized form of the softened gravitational potential which is a natural extension of the Plummer potential. The gravitational potential at the position of particle i( xi, yi, zi), induced by particle j at ( xj, yj, zj), is given by: ϕij=-{Gmj}/{|rij2+ɛi2+ɛj2|}, where G is the gravitational constant, mj is the mass of particle j, rij = ∣( xi - xj) 2 + ( yi - yj) 2 + ( zi - zj) 2∣ 1/2 and ɛi and ɛj are the gravitational softening lengths of particles i and j, respectively. This form is formally an extension of the Newtonian potential to five dimensions. The derivative of this equation in the x, y, and z directions correspond to the gravitational accelerations in these directions and they are always symmetric between two particles. When one applies this potential to a group of particles with different softening lengths, as in the case with a tree code, an averaged gravitational softening length for the group can be used. We find that the most suitable averaged softening length for a group of particles is <ɛj2>=∑jNmjɛj2/M, where M=∑jNmj and N are the mass and number of all particles in the group, respectively. The leading error related to the softening length is O∑jδrjδ ɛj2/rij3, where δrj is the distance between particle j and the center of mass of the group and δɛj2=ɛj2-<ɛj2>. Using this averaged gravitational softening length with the tree method, one can use a single tree to evaluate the gravitational forces for a system of particles with a wide variety of gravitational softening lengths. Consequently, this will reduce the calculation cost of the gravitational force for such a system with different softenings without the need for complicated forms of softening. We present the result of simple numerical tests. We found that our modification of the Plummer potential works well.

  4. Symmetric solutions of a multi-point boundary value problem

    NASA Astrophysics Data System (ADS)

    Kosmatov, Nickolai

    2005-09-01

    We apply the fixed point theorem of Avery and Peterson to the nonlinear second-order multi-point boundary value problem where , [mu]i>0 for i=1,...,n with , n[greater-or-equal, slanted]2. We show that under the appropriate growth conditions on the inhomogeneous term symmetric about the problem has triple symmetric solutions.

  5. Reduction Formulae for Symmetric Products of Spin Matrices

    NASA Astrophysics Data System (ADS)

    Pal, Palash B.

    2016-02-01

    We show that, for SU(2) generators of arbitrary dimension D there exist identities that express the completely symmetric product of D matrices in terms of completely symmetric products of fewer number of matrices. We also indicate why such identities are important in characterizing electromagnetic interactions of particles.

  6. 47 CFR 51.711 - Symmetrical reciprocal compensation.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 3 2012-10-01 2012-10-01 false Symmetrical reciprocal compensation. 51.711 Section 51.711 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER SERVICES... Traffic § 51.711 Symmetrical reciprocal compensation. (a) Rates for transport and termination of...

  7. 14 CFR 25.331 - Symmetric maneuvering conditions.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Symmetric maneuvering conditions. 25.331 Section 25.331 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY AIRPLANES Structure Flight Maneuver and Gust Conditions § 25.331 Symmetric maneuvering conditions....

  8. Bilateral Symmetrical Congenital Giant Becker's Nevus: A Rare Presentation

    PubMed Central

    Rao, Angoori Gnaneshwar

    2015-01-01

    Becker's nevus is a focal epidermal hypermelanotic disorder. It morphologically presents as unilateral, hyperpigmented, hypertrichotic patch on upper trunk, proximal upper extremities and arms. However, Becker's nevus presenting as bilateral, symmetrical patches is rare. Herein, we report a rare case of giant Becker's nevus with bilateral symmetrical presentation in an adult male. PMID:26538733

  9. Progressive symmetric erythrokeratodermia with delayed intellectual milestones and convulsions.

    PubMed

    Verma, Shyam B; Wollina, Uwe

    2012-01-01

    Progressive symmetric erythrokeratoderma is an uncommon genodermatosis and is thought to arise due to mutations in the connexin gene, however, genetic heterogenicity has been described. Very few cases of neurological involvement have been described in this unusual entity. We report a case of progressive symmetric erythrokeratoderma, with convulsions and delayed intellectual milestones. PMID:23130266

  10. Top quark mass and kinematics

    SciTech Connect

    Barberis, Emanuela; /Northeastern U.

    2006-05-01

    A summary of the results on the measurement of the Top Quark mass and the study of the kinematics of the t{bar t} system at the Tevatron collider is presented here. Results from both the CDF and D0 collaborations are reported.

  11. The Top STEM Degree Producers

    ERIC Educational Resources Information Center

    Diverse: Issues in Higher Education, 2012

    2012-01-01

    This article presents a list of the top Science, Technology, Engineering, and Mathematics (STEM) degree producers in the U.S. This list is broken down into seven categories: (1) Total Minority Research/Scholarship and Other Doctoral: Mathematics and Statistics; (2) Total Minority Bachelors: Biological and Biomedical Sciences; (3) Total Minority

  12. Top Internal Concerns for 1991.

    ERIC Educational Resources Information Center

    Meyerson, Joel W.; Johnson, Sandra L.

    1991-01-01

    The top internal issues identified by leaders in higher education management as most likely to influence colleges' financial and competitive positions in the near future include tuition policy and financing, capital renewal and replacement, research funding, planning and budgeting, and cost and productivity. (Author/MSE)

  13. Kowalevski top in quantum mechanics

    SciTech Connect

    Matsuyama, A.

    2013-09-15

    The quantum mechanical Kowalevski top is studied by the direct diagonalization of the Hamiltonian. The spectra show different behaviors depending on the region divided by the bifurcation sets of the classical invariant tori. Some of these spectra are nearly degenerate due to the multiplicity of the invariant tori. The Kowalevski top has several symmetries and symmetry quantum numbers can be assigned to the eigenstates. We have also carried out the semiclassical quantization of the Kowalevski top by the EBK formulation. It is found that the semiclassical spectra are close to the exact values, thus the eigenstates can be also labeled by the integer quantum numbers. The symmetries of the system are shown to have close relations with the semiclassical quantum numbers and the near-degeneracy of the spectra. -- Highlights: Quantum spectra of the Kowalevski top are calculated. Semiclassical quantization is carried out by the EBK formulation. Quantum states are labeled by the semiclassical integer quantum numbers. Multiplicity of the classical torus makes the spectra nearly degenerate. Symmetries, quantum numbers and near-degenerate spectra are closely related.

  14. "Top School Problems" Are Myths.

    ERIC Educational Resources Information Center

    Males, Mike

    1992-01-01

    A well-known "study" comparing the top school problems of 1940 (talking and gum chewing) with those of 1987 (drug abuse, pregnancy, and violence) is nonexistent. In 1940, 49 percent of all youth did not finish high school, 37,000 teenagers died from violence or disease, and 335,000 teens gave birth. Educators should discount pastoral memories and

  15. The Top 100: Associate Rankings

    ERIC Educational Resources Information Center

    Blackmon, Olivia

    2009-01-01

    This year, Diverse has added a new addition to its annual Top 100 degree producers series--recognizing, with this edition, the institutions that award the most associate degrees to students of color. More than half of minority undergraduate students start their degree quest at a community college with 55 percent of all Hispanic and Native American

  16. The Top Theological Degree Producers

    ERIC Educational Resources Information Center

    Diverse: Issues in Higher Education, 2012

    2012-01-01

    Each year, "Diverse: Issues in Higher Education" publishes a list of the Top 100 producers of associate, bachelor's and graduate degrees awarded to minority students based on research conducted by Dr. Victor M. H. Borden, professor of educational leadership and policy studies at Indiana University Bloomington. This year, for the first time, it has…

  17. China offshore has top priority

    SciTech Connect

    Cornitius, T.A.

    1983-11-01

    Joint venture development of offshore petroleum reserves has top priority in the mammoth effort to modernize the People's Republic of China. While the country works to overcome a critical shortage of skilled personnel, export of oil, coal, consumer goods, and metals will finance technological imports.

  18. The Top STEM Degree Producers

    ERIC Educational Resources Information Center

    Diverse: Issues in Higher Education, 2012

    2012-01-01

    This article presents a list of the top Science, Technology, Engineering, and Mathematics (STEM) degree producers in the U.S. This list is broken down into seven categories: (1) Total Minority Research/Scholarship and Other Doctoral: Mathematics and Statistics; (2) Total Minority Bachelors: Biological and Biomedical Sciences; (3) Total Minority…

  19. Race to Top Applications Scrutinized

    ERIC Educational Resources Information Center

    Sawchuk, Stephen; Maxwell, Lesli A.

    2010-01-01

    As peer reviewers for the U.S. Department of Education begin to comb through the thousands of pages of applications for $4 billion in federal Race to the Top Fund grants, they'll be under pressure to determine which are most worthy of funding: those that promise the most, or those with the best chance of delivering. In a competition whose criteria…

  20. Observation of the Top Quark

    DOE R&D Accomplishments Database

    Kim, S. B.

    1995-08-01

    Top quark production is observed in{bar p}p collisions at{radical}s= 1.8 TeV at the Fermilab Tevatron. The Collider Detector at Fermilab (CDF) and D{O} observe signals consistent with t{bar t} to WWb{bar b}, but inconsistent with the background prediction by 4.8{sigma} (CDF), 4.6a (D{O}). Additional evidence for the top quark Is provided by a peak in the reconstructed mass distribution. The kinematic properties of the excess events are consistent with the top quark decay. They measure the top quark mass to be 176{plus_minus}8(stat.){plus_minus}10(sys.) GeV/c{sup 2} (CDF), 199{sub -21}{sup+19}(stat.){plus_minus}22(sys.) GeV/c{sup 2} (D{O}), and the t{bar t} production cross section to be 6.8{sub -2.4}{sup+3.6}pb (CDF), 6.4{plus_minus}2.2 pb (D{O}).

  1. "Top School Problems" Are Myths.

    ERIC Educational Resources Information Center

    Males, Mike

    1992-01-01

    A well-known "study" comparing the top school problems of 1940 (talking and gum chewing) with those of 1987 (drug abuse, pregnancy, and violence) is nonexistent. In 1940, 49 percent of all youth did not finish high school, 37,000 teenagers died from violence or disease, and 335,000 teens gave birth. Educators should discount pastoral memories and…

  2. Top Jets at the LHC

    SciTech Connect

    Almeida, L.G.; Lee, S.J.; Perez, G.; Sung, I.; Virzi, J.

    2008-10-06

    We investigatethe reconstruction of high pT hadronically-decaying top quarksat the Large Hadron Collider. One of the main challenges in identifying energetictop quarks is that the decay products become increasingly collimated. This reducesthe efficacy of conventional reconstruction methods that exploit the topology of thetop quark decay chain. We focus on the cases where the decay products of the topquark are reconstructed as a single jet, a"top-jet." The most basic"top-tag" methodbased on jet mass measurement is considered in detail. To analyze the feasibility ofthe top-tagging method, both theoretical and experimental aspects of the large QCDjet background contribution are examined. Based on a factorization approach, wederive a simple analytic approximation for the shape of the QCD jet mass spectrum.We observe very good agreement with the Monte Carlo simulation. We consider high pT tt bar production in the Standard Model as an example, and show that our theoretical QCD jet mass distributions can efficiently characterize the background via sideband analyses. We show that with 25 fb-1 of data, our approach allows us to resolve top-jets with pT _> 1 TeV, from the QCD background, and about 1.5 TeV top-jets with 100 fb-1, without relying on b-tagging. To further improve the significancewe consider jet shapes (recently analyzed in 0807.0234 [hep-ph]), which resolve thesubstructure of energy flow inside cone jets. A method of measuring the top quarkpolarization by using the transverse momentum of the bottom quark is also presented.The main advantages of our approach are: (i) the mass distributions are driven byfirst principle calculations, instead of relying solely on Monte Carlo simulation; (ii) for high pT jets (pT _> 1 TeV), IR-safe jet shape variables are robust against detectorresolution effects. Our analysis can be applied to other boosted massive particlessuch as the electroweak gauge bosons and the Higgs.

  3. Bicriterion seriation methods for skew-symmetric matrices.

    PubMed

    Brusco, Michael J; Stahl, Stephanie

    2005-11-01

    The decomposition of an asymmetric proximity matrix into its symmetric and skew-symmetric components is a well-known principle in combinatorial data analysis. The seriation of the skew-symmetric component can emphasize information corresponding to the sign or absolute magnitude of the matrix elements, and the choice of objective criterion can have a profound impact on the ordering. In this research note, we propose a bicriterion approach for seriation of a skew-symmetric matrix incorporating both sign and magnitude information. Two numerical demonstrations reveal that the bicriterion procedure is an effective alternative to direct seriation of the skew-symmetric matrix, facilitating favourable trade-offs among sign and magnitude information. PMID:16293204

  4. Trapping polar molecules in an ac trap

    SciTech Connect

    Bethlem, Hendrick L.; Veldhoven, Jacqueline van; Schnell, Melanie; Meijer, Gerard

    2006-12-15

    Polar molecules in high-field seeking states cannot be trapped in static traps as Maxwell's equations do not allow a maximum of the electric field in free space. It is possible to generate an electric field that has a saddle point by superposing an inhomogeneous electric field to an homogeneous electric field. In such a field, molecules are focused along one direction, while being defocused along the other. By reversing the direction of the inhomogeneous electric field the focusing and defocusing directions are reversed. When the fields are being switched back and forth at the appropriate rate, this leads to a net focusing force in all directions. We describe possible electrode geometries for creating the desired fields and discuss their merits. Trapping of {sup 15}ND{sub 3} ammonia molecules in a cylindrically symmetric ac trap is demonstrated. We present measurements of the spatial distribution of the trapped cloud as a function of the settings of the trap and compare these to both a simple model assuming a linear force and to full three-dimensional simulations of the experiment. With the optimal settings, molecules within a phase-space volume of 270 mm{sup 3} (m/s){sup 3} remain trapped. This corresponds to a trap depth of about 5 mK and a trap volume of about 20 mm{sup 3}.

  5. Explosive condensation in symmetric mass transport models

    NASA Astrophysics Data System (ADS)

    Chau, Yu-Xi; Connaughton, Colm; Grosskinsky, Stefan

    2015-11-01

    We study the dynamics of condensation in a misanthrope process with nonlinear jump rates and factorized stationary states. For large enough density, it is known that such models have a phase separated state, with a non-zero fraction of the total mass concentrating in a single lattice site. It has been established in [B Waclaw and M R Evans, Phys. Rev. Lett., 108(7):070601, 2012] for asymmetric dynamics that such processes exhibit explosive condensation, where the time to reach the stationary state vanishes with increasing system size. This constitutes a spatially extended version of instantaneous gelation which has previously been studied only in mean-field coagulation models. We show that this phenomenon also occurs for symmetric dynamics in one dimension if the non-linearity is strong enough, and we find a coarsening regime where the time to stationarity diverges with the system size for weak non-linearity. In higher space dimensions explosive condensation is expected to be generic for all parameter values. Our results are based on heuristic mean field arguments which are confirmed by simulation data.

  6. Spherically symmetric conformal gravity and ``gravitational bubbles''

    NASA Astrophysics Data System (ADS)

    Berezin, V. A.; Dokuchaev, V. I.; Eroshenko, Yu. N.

    2016-01-01

    The general structure of the spherically symmetric solutions in the Weyl conformal gravity is described. The corresponding Bach equations are derived for the special type of metrics, which can be considered as the representative of the general class. The complete set of the pure vacuum solutions is found. It consists of two classes. The first one contains the solutions with constant two-dimensional curvature scalar of our specific metrics, and the representatives are the famous Robertson-Walker metrics. One of them we called the ``gravitational bubbles'', which is compact and with zero Weyl tensor. Thus, we obtained the pure vacuum curved space-times (without any material sources, including the cosmological constant) what is absolutely impossible in General Relativity. Such a phenomenon makes it easier to create the universe from ``nothing''. The second class consists of the solutions with varying curvature scalar. We found its representative as the one-parameter family. It appears that it can be conformally covered by the thee-parameter Mannheim-Kazanas solution. We also investigated the general structure of the energy-momentum tensor in the spherical conformal gravity and constructed the vectorial equation that reveals clearly some features of non-vacuum solutions. Two of them are explicitly written, namely, the metrics à la Vaidya, and the electrovacuum space-time metrics.

  7. Skyrmions and vector mesons: a symmetric approach

    SciTech Connect

    Caldi, D.G.

    1984-01-01

    We propose an extension of the effective, low-energy chiral Lagrangian known as the Skyrme model, to one formulated by a non-linear sigma model generalized to include vector mesons in a symmetric way. The model is based on chiral SU(6) x SU(6) symmetry spontaneously broken to static SU(6). The rho and other vector mesons are dormant Goldstone bosons since they are in the same SU(6) multiplet as the pion and other pseudoscalars. Hence the manifold of our generalized non-linear sigma model is the coset space (SU(6) x SU(6))/Su(6). Relativistic effects, via a spin-dependent mass term, break the static SU(6) and give the vectors a mass. The model can then be fully relativistic and covariant. The lowest-lying Skyrmion in this model is the whole baryonic 56-plet, which splits into the octet and decuplet in the presence of relativistic SU(6)-breaking. Due to the built-in SU(6) and the presence of vector mesons, the model is expected to have better phenomenological results, as well as providing a conceptually more unified picture of mesons and baryons. 29 references.

  8. Spherically symmetric inhomogeneous model with Chaplygin gas

    SciTech Connect

    Panigrahi, D.; Chatterjee, S. E-mail: chat_sujit1@yahoo.com

    2011-10-01

    We investigate the late time acceleration with a Chaplygin type of gas in spherically symmetric inhomogeneous model. At the early phase we get Einstien-de Sitter type of solution generalised to inhomogeneous spacetime. But at late stage of the evolution our solutions admit the accelerating nature of the universe. For a large scale factor our model behaves like a ?CDM model. We calculate the deceleration parameter for this anisotropic model, which, unlike its homogeneous counterpart, shows that the flip is not synchronous occurring early at the outer shells. This is in line with other physical processes in any inhomogeneous models. Depending upon initial conditions our solution also gives bouncing universe. In the absence of inhomogeneity our solution reduces to wellknown solutions in homogeneous case. We have also calculated the effective deceleration parameter in terms of Hubble parameter. The whole situation is later discussed with the help of wellknown Raychaudhury equation and the results are compared with the previous case. This work is an extension of our recent communication where an attempt was made to see if the presence of extra dimensions and/or inhomogeneity can trigger an inflation in a matter dominated Lematre Tolman Bondi model.

  9. Phase Behavior of Symmetric Sulfonated Block Copolymers

    SciTech Connect

    Park, Moon Jeong; Balsara, Nitash P.

    2008-08-21

    Phase behavior of poly(styrenesulfonate-methylbutylene) (PSS-PMB) block copolymers was studied by varying molecular weight, sulfonation level, and temperature. Molecular weights of the copolymers range from 2.9 to 117 kg/mol. Ordered lamellar, gyroid, hexagonally perforated lamellae, and hexagonally packed cylinder phases were observed in spite of the fact that the copolymers are nearly symmetric with PSS volume fractions between 0.45 and 0.50. The wide variety of morphologies seen in our copolymers is inconsistent with current theories on block copolymer phase behavior such as self-consistent field theory. Low molecular weight PSS-PMB copolymers (<6.2 kg/mol) show order-order and order-disorder phase transitions as a function of temperature. In contrast, the phase behavior of high molecular weight PSS-PMB copolymers (>7.7 kg/mol) is independent of temperature. Due to the large value of Flory-Huggins interaction parameter, x, between the sulfonated and non-sulfonated blocks, PSS-PMB copolymers with PSS and PMB molecular weights of 1.8 and 1.4 kg/mol, respectively, show the presence of an ordered gyroid phase with a 2.5 nm diameter PSS network. A variety of methods are used to estimate x between PSS and PMB chains as a function of sulfonation level. Some aspects of the observed phase behavior of PSS-PMB copolymers can be rationalized using x.

  10. Self-Diffusion of Symmetric Star Polymers

    NASA Astrophysics Data System (ADS)

    Frischknecht, Amalie; Milner, Scott T.

    2000-03-01

    We use a recent theory of arm retraction in star polymers, which successfully describes their distinctive rheology, to calculate the self-diffusion constant of symmetric stars. Star polymers can only take a diffusive step when an arm fully retracts to the center. Due to the wide separation of relaxation times along the star arms, star polymers obey dynamic dilution, in which the effective entanglement network dilutes as portions of the star arms relax. This implies a picture of self-diffusion in which the junction point hops a distance of order the dilated tube diameter ad associated with the diluted network, rather than a distance of order the original ``skinny'' tube diameter a0 defined by the entanglement molecular weight. The difference is substantial, since ad scales with arm length N as a_0N^2/7. However, comparing our results to self-diffusion data of Bartels et. al.,(C. R. Bartels, B. Crist, Jr., L. J. Fetters, and W. W. Graessley, Macromolecules 19), 785, 1986. we find that the data is more consistent with diffusive hops of a length scale a0 rather than a_d.

  11. Microtearing Simulations in the Madison Symmetric Torus

    NASA Astrophysics Data System (ADS)

    Carmody, Daniel; Pueschel, M. J.; Terry, P. W.

    2012-10-01

    Recent studies of improved confinement discharges in reversed field pinch (RFP) plasmas have revealed the need for greater understanding of the role that microinstabilities may be playing in these devices. In this work, the gyrokinetic codes GYRO and GENE are used to investigate the characteristics of these instabilities in an RFP-type equilibrium. Microtearing is found to have large growth rates across a range of scales for the parameter regime of the Madison Symmetric Torus and may be especially relevant to high-beta PPCD discharges, where large scale tearing mode activity is suppressed and microturbulence is believed to play a greater role in transport. Important features of the mode, such as critical values for beta and electron temperature gradient, are studied for a number of geometric parameters, including flux surface radius and RFP ?. The dependence on collisionality, which plays an important role in this instability, is explored using a Lorentz operator. We find that the RFP microtearing mode is unstable across a range of collisional frequency, and parameter scans show different responses at low versus moderate/high collisionality, possible evidence for different physical drive mechanisms. The source of these drives is explored and compared with existing theory.

  12. Plasmonic gain in long-range surface plasmon polariton waveguides bounded symmetrically by dye-doped polymer

    NASA Astrophysics Data System (ADS)

    Hahn, Choloong; Song, Seok Ho; Oh, Cha Hwan; Berini, Pierre

    2015-09-01

    The plasmonic gain of a top-pumped active symmetric metal slab waveguide is investigated theoretically and experimentally. The structure consists of a thin Ag film cladded above and below by gain media (IR140-doped poly (methyl methacrylate)), and operating with long-range surface plasmon polaritons (LRSPPs) at near-infrared wavelengths. We consider the spatial distribution of the pump intensity and the position dependence of the dipole lifetime within the claddings when computing the LRSPP gain. We find that the bottom cladding provides significant gain to the LRSPP, despite the low pump transmittance through the Ag film, as long as the pump intensity is strong enough to saturate the gain material (4 MW/cm2). In this situation, the LRSPP gain is doubled compared to the case where the top cladding only is active. The LRSPP gain was measured in a fabricated structure using the variable stripe length method, yielding gmod = 16.7 cm-1 at a pump intensity of 4 MW/cm2. The measured LRSPP gain agrees very well with the computed value, implying that the bottom cladding provides significant gain to the mode. Active plasmonic devices based on the symmetric dielectric-metal-dielectric structure can be significantly more efficient by using gain layers as both the top and bottom claddings.

  13. Properties of the Top Quark

    SciTech Connect

    Wicke, Daniel; /Wuppertal U., Dept. Math.

    2009-08-01

    The aim of particle physics is the understanding of elementary particles and their interactions. The current theory of elementary particle physics, the Standard Model, contains twelve different types of fermions which (neglecting gravity) interact through the gauge bosons of three forces. In addition a scalar particle, the Higgs boson, is needed for theoretical consistency. These few building blocks explain all experimental results found in the context of particle physics, so far. Nevertheless, it is believed that the Standard Model is only an approximation to a more complete theory. First of all the fourth known force, gravity, has withstood all attempts to be included until now. Furthermore, the Standard Model describes several features of the elementary particles like the existence of three families of fermions or the quantisation of charges, but does not explain these properties from underlying principles. Finally, the lightness of the Higgs boson needed to explain the symmetry breaking is difficult to maintain in the presence of expected corrections from gravity at high scales. This is the so called hierarchy problem. In addition astrophysical results indicate that the universe consists only to a very small fraction of matter described by the Standard Model. Large fractions of dark energy and dark matter are needed to describe the observations. Both do not have any correspondence in the Standard Model. Also the very small asymmetry between matter and anti-matter that results in the observed universe built of matter (and not of anti-matter) cannot be explained until now. It is thus an important task of experimental particle physics to test the predictions of the Standard Model to the best possible accuracy and to search for deviations pointing to necessary extensions or modifications of our current theoretical understanding. The top quark was predicted to exist by the Standard Model as the partner of the bottom quark. It was first observed in 1995 by the Tevatron experiments CDF and D0 and was the last of the quarks to be discovered. As the partner of the bottom quark the top quark is expected to have quantum numbers identical to that of the other known up-type quarks. Only the mass is a free parameter. We now know that it is more than 30 times heavier than the next heaviest quark, the bottom quark. Thus, within the Standard Model all production and decay properties are fully defined. Having the complete set of quarks further allows to verify constraints that the Standard Model puts on the sum of all quarks or particles. This alone is reason enough to experimentally study the top quark properties. The high value of the top quark mass and its closeness to the electroweak scale has inspired people to speculate that the top quark could have a special role in the electroweak symmetry breaking. Confirming the expected properties of the top quark experimentally establishes the top quark as we expect it to be. Any deviation from the expectations gives hints to new physics that may help to solve the outstanding questions. In this review the recent results on top quark properties obtained by the Tevatron experiments CDF and D0 are summarized. At the advent of the LHC special emphasis is given to the basic measurement methods and the dominating systematic uncertainties. After a short introduction to the Standard Model and the experimental environment in the remainder of this chapter, Chapter 2 describes the current status of top quark mass measurements. Then measurments of interaction properties are described in Chapter 3. Finally, Chapter 4 deals with analyses that consider hypothetical particles beyond the Standard Model in the observed events.

  14. Origin of threefold symmetric torsional potential of methyl group in 4-methylstyrene.

    PubMed

    Sinha, Rajeev K; Pradhan, B; Singh, Bhanu P; Kundu, T; Biswas, Partha; Chakraborty, T

    2006-04-14

    To understand the effect of the para position vinyl group substitution in toluene on methyl torsion, we investigated 4-methylstyrene, a benchmark molecule with an extended pi conjugation. The assignment for a 33 cm(-1) band in the excitation spectrum to the 3a(2) torsional transition, in addition to the assignments suggested previously for the other bands in the excitation spectrum, leads to the model potentials for the ground as well as excited states with V(3) (")=19.6 cm(-1), V(6) (")=-16.4 cm(-1) and V(3) (')=25.6 cm(-1), V(6) (')=-30.1 cm(-1), respectively. These potentials reveal that both in ground and excited states, the methyl group conformations are staggered with a 60 degrees phase shift between them. MP2 ab initio calculations support the ground state conformations determined from experiments, whereas Hartree-Fock calculations fail to do so. The origin of the modified ground state potential has been investigated by partitioning the barrier energy using the natural bond orbital (NBO) theoretical framework. The NBO analysis shows that the local delocalization (bond-antibond hyperconjugation) interactions of the methyl group with the parent molecule is sixfold symmetric. The threefold symmetric potential, on the other hand, stems from the interaction of the vinyl group and the adjacent ring pi bond. The threefold symmetric structural energy arising predominantly from the pi electron contribution is the barrier forming term that overwhelms the antibarrier contribution of the delocalization energy. The observed 60 degrees phase shift of the excited state potential is attributed to the pi(*)-sigma(*) hyperconjugation between out of plane hydrogens of the methyl group and the benzene ring. PMID:16626205

  15. Nakedness and curvature strength of a shell-focusing singularity in spherically symmetric spacetime with vanishing radial pressure

    NASA Astrophysics Data System (ADS)

    Harada, Tomohiro; Nakao, Ken-ichi; Iguchi, Hideo

    1999-08-01

    It was shown recently that the metric functions which describe a spherically symmetric spacetime with vanishing radial pressure can be explicitly integrated. We investigate the nakedness and curvature strength of the shell-focusing singularity in that spacetime. If the singularity is naked, the relation between the circumferential radius and the Misner-Sharp mass is given by Ricons/Journals/Common/approx" ALT="approx" ALIGN="TOP"/>2y0micons/Journals/Common/beta" ALT="beta" ALIGN="TOP"/> with (1/3)TOP"/>icons/Journals/Common/le" ALT="le" ALIGN="TOP"/>1 along the first radial null geodesic from the singularity. The icons/Journals/Common/beta" ALT="beta" ALIGN="TOP"/> is closely related to the curvature strength of the naked singularity. For example, for the outgoing or ingoing null geodesic, if the strong curvature condition (SCC) of Tipler holds, then icons/Journals/Common/beta" ALT="beta" ALIGN="TOP"/> must be equal to 1. We define the `gravity-dominance condition' (GDC) for a geodesic. If GDC is satisfied for the null geodesic, both SCC and the limiting focusing condition (LFC) of Krlak holds for icons/Journals/Common/beta" ALT="beta" ALIGN="TOP"/> = 1 and y0icons/Journals/Common/ne" ALT="ne" ALIGN="TOP"/>1, not SCC but only LFC holds for 1/2 icons/Journals/Common/le" ALT="le" ALIGN="TOP"/>icons/Journals/Common/beta" ALT="beta" ALIGN="TOP"/><1, and neither holds for (1/3)TOP"/>< 1/2 , for the null geodesic. On the other hand, if GDC is satisfied for the timelike geodesic r = 0, both SCC and LFC are satisfied for the timelike geodesic, irrespective of the value of icons/Journals/Common/beta" ALT="beta" ALIGN="TOP"/>. Several examples are also discussed.

  16. Single top at the Tevatron

    SciTech Connect

    Taffard, Anyes; /Illinois U., Urbana

    2005-11-01

    The authors review the status of the search for the electroweak production of single top quarks by the CDF and D0 collaborations at the Fermilab Tevatron proton-antiproton collider using Run II data. With a dataset of approximately 160 pb{sup -1} for CDF and 230 pb{sup -1} for D0, neither experiment finds evidence for single top production and sets 95% C.L. upper limits on the production cross-sections. The CDF limits are 10.1 pb for the t channel, 13.6 pb for the s channel and 17.8 pb for the combined production cross-sections of s and t channel. The D0 limits are 5.0 pb for the t channel, 6.4 pb for the s-channel production cross-sections. Both experiments investigate the prospect for a 3{sigma} evidence and a 5{sigma} discovery.

  17. Top quark electromagnetic dipole moments

    NASA Astrophysics Data System (ADS)

    Bouzas, Antonio O.; Larios, F.

    2015-11-01

    The magnetic and electric dipole moments of the top quark are constrained indirectly by the Br(B ? Xs?) and the ACP(B ? Xs?) measurements. They can also be tested by top quark production and decay processes. The recent measurement of production by CDF are used to set direct constraints. The B ? Xs? measurements by themselves define an allowed parameter region that sets up stringent constraints on both dipole moments. The measurement by CDF has a ? 37% error that is too large to set any competitive bounds, for which a much lower 5% error would be required. For the LHC it is found that with its higher energy the same measurement could indeed further constrain the allowed parameter region given by the B ? Xs? measurement [1]. In addition, the proposed LHeC experiment (electron- proton) could provide even more stringent constraints than the LHC via the photoproduction channel [2].

  18. Attitude propulsion technology for TOPS

    NASA Technical Reports Server (NTRS)

    Moynihan, P. I.

    1972-01-01

    The thermoelectric outer planet spacecraft (TOPS) attitude propulsion subsystem (APS) effort is discussed. It includes the tradeoff rationale that went into the selection of an anhydrous hydrazine baseline system, followed by a discussion of the 0.22 N thruster and its integration into a portable, self-contained propulsion module that was designed, developed, and man rated to support the TOPS single-axis attitude control tests. The results of a cold-start feasibility demonstration with a modified thruster are presented. A description of three types of 0.44 thrusters that were procured for in-house evaluation is included along with the results of the test program. This is followed by a description of the APS feed system components, their evaluations, and a discussion of an evaluation of elastomeric material for valve seat seals. A list of new technology items which will be of value for application to future systems of this type is included.

  19. Thermoelectric Outer Planets Spacecraft (TOPS)

    NASA Technical Reports Server (NTRS)

    1973-01-01

    The research and advanced development work is reported on a ballistic-mode, outer planet spacecraft using radioisotope thermoelectric generator (RTG) power. The Thermoelectric Outer Planet Spacecraft (TOPS) project was established to provide the advanced systems technology that would allow the realistic estimates of performance, cost, reliability, and scheduling that are required for an actual flight mission. A system design of the complete RTG-powered outer planet spacecraft was made; major technical innovations of certain hardware elements were designed, developed, and tested; and reliability and quality assurance concepts were developed for long-life requirements. At the conclusion of its active phase, the TOPS Project reached its principal objectives: a development and experience base was established for project definition, and for estimating cost, performance, and reliability; an understanding of system and subsystem capabilities for successful outer planets missions was achieved. The system design answered long-life requirements with massive redundancy, controlled by on-board analysis of spacecraft performance data.

  20. Quantum Behavior of Water Molecules Confined to Nanocavities in Gemstones.

    PubMed

    Gorshunov, Boris P; Zhukova, Elena S; Torgashev, Victor I; Lebedev, Vladimir V; Shakurov, Gil'man S; Kremer, Reinhard K; Pestrjakov, Efim V; Thomas, Victor G; Fursenko, Dimitry A; Dressel, Martin

    2013-06-20

    When water is confined to nanocavities, its quantum mechanical behavior can be revealed by terahertz spectroscopy. We place H2O molecules in the nanopores of a beryl crystal lattice and observe a rich and highly anisotropic set of absorption lines in the terahertz spectral range. Two bands can be identified, which originate from translational and librational motions of the water molecule isolated within the cage; they correspond to the analogous broad bands in liquid water and ice. In the present case of well-defined and highly symmetric nanocavities, the observed fine structure can be explained by macroscopic tunneling of the H2O molecules within a six-fold potential caused by the interaction of the molecule with the cavity walls. PMID:26283245

  1. The lack of large compact symmetric objects

    NASA Astrophysics Data System (ADS)

    Augusto, P.

    2009-02-01

    In recent years, `baby' (< 103 yr) and `young' (103-105 yr) radio galaxies have been found and classified, although their numbers are still small (tens). Also, they have many different names, depending on the type of survey and scientific context in which they were found: compact steep spectrum sources (CSS), giga-Hertz peaked spectrum sources (GPS) and compact-medium symmetric objects (C-MSO). The latter have the radio galaxy structure more obvious and correspond to the `babies' (CSOs; < 1 kpc) and `young' (MSOs; 1-15 kpc) radio galaxies. The log-size distribution of CSOs shows a sharp drop at 0.3 kpc. This trend continues through flat-spectrum MSOs (over the full 1-15 kpc size range). In order to find out if this lack of large CSOs and flat-spectrum MSOs is due to poor sampling (lack of surveys that probe efficiently the 0.3-15 kpc size range) and/or has physical meaning (e.g. if the lobes of CSOs expand as they grow and age, they might become CSSs, `disappearing' from the flat-spectrum MSO statistics), we have built a sample of 157 flat-spectrum radio sources with structure on 0.3-15 kpc scales. We are using new, archived and published data to produce and inspect hundreds of multi-frequency multi-instrument maps and models. We have already found 13 new secure CSO/MSOs. We expect to uncover 30-40 new CSOs and MSOs, most on the 0.3-15 kpc size range, when our project is complete.

  2. Recent advances in symmetric and network dynamics.

    PubMed

    Golubitsky, Martin; Stewart, Ian

    2015-09-01

    We summarize some of the main results discovered over the past three decades concerning symmetric dynamical systems and networks of dynamical systems, with a focus on pattern formation. In both of these contexts, extra constraints on the dynamical system are imposed, and the generic phenomena can change. The main areas discussed are time-periodic states, mode interactions, and non-compact symmetry groups such as the Euclidean group. We consider both dynamics and bifurcations. We summarize applications of these ideas to pattern formation in a variety of physical and biological systems, and explain how the methods were motivated by transferring to new contexts René Thom's general viewpoint, one version of which became known as "catastrophe theory." We emphasize the role of symmetry-breaking in the creation of patterns. Topics include equivariant Hopf bifurcation, which gives conditions for a periodic state to bifurcate from an equilibrium, and the H/K theorem, which classifies the pairs of setwise and pointwise symmetries of periodic states in equivariant dynamics. We discuss mode interactions, which organize multiple bifurcations into a single degenerate bifurcation, and systems with non-compact symmetry groups, where new technical issues arise. We transfer many of the ideas to the context of networks of coupled dynamical systems, and interpret synchrony and phase relations in network dynamics as a type of pattern, in which space is discretized into finitely many nodes, while time remains continuous. We also describe a variety of applications including animal locomotion, Couette-Taylor flow, flames, the Belousov-Zhabotinskii reaction, binocular rivalry, and a nonlinear filter based on anomalous growth rates for the amplitude of periodic oscillations in a feed-forward network. PMID:26428565

  3. Recent advances in symmetric and network dynamics

    NASA Astrophysics Data System (ADS)

    Golubitsky, Martin; Stewart, Ian

    2015-09-01

    We summarize some of the main results discovered over the past three decades concerning symmetric dynamical systems and networks of dynamical systems, with a focus on pattern formation. In both of these contexts, extra constraints on the dynamical system are imposed, and the generic phenomena can change. The main areas discussed are time-periodic states, mode interactions, and non-compact symmetry groups such as the Euclidean group. We consider both dynamics and bifurcations. We summarize applications of these ideas to pattern formation in a variety of physical and biological systems, and explain how the methods were motivated by transferring to new contexts René Thom's general viewpoint, one version of which became known as "catastrophe theory." We emphasize the role of symmetry-breaking in the creation of patterns. Topics include equivariant Hopf bifurcation, which gives conditions for a periodic state to bifurcate from an equilibrium, and the H/K theorem, which classifies the pairs of setwise and pointwise symmetries of periodic states in equivariant dynamics. We discuss mode interactions, which organize multiple bifurcations into a single degenerate bifurcation, and systems with non-compact symmetry groups, where new technical issues arise. We transfer many of the ideas to the context of networks of coupled dynamical systems, and interpret synchrony and phase relations in network dynamics as a type of pattern, in which space is discretized into finitely many nodes, while time remains continuous. We also describe a variety of applications including animal locomotion, Couette-Taylor flow, flames, the Belousov-Zhabotinskii reaction, binocular rivalry, and a nonlinear filter based on anomalous growth rates for the amplitude of periodic oscillations in a feed-forward network.

  4. Cloud Top Scanning radiometer (CTS)

    NASA Technical Reports Server (NTRS)

    1978-01-01

    A scanning radiometer to be used for measuring cloud radiances in each of three spectral regions is described. Significant features incorporated in the Cloud Top Scanner design are: (1) flexibility and growth potential through use of easily replaceable modular detectors and filters; (2) full aperture, multilevel inflight calibration; (3) inherent channel registration through employment of a single shared field stop; and (4) radiometric sensitivity margin in a compact optical design through use of Honeywell developed (Hg,Cd)Te detectors and preamplifiers.

  5. Top quark studies at hadron colliders

    SciTech Connect

    Sinervo, P.K.

    1997-01-01

    The techniques used to study top quarks at hadron colliders are presented. The analyses that discovered the top quark are described, with emphasis on the techniques used to tag b quark jets in candidate events. The most recent measurements of top quark properties by the CDF and DO Collaborations are reviewed, including the top quark cross section, mass, branching fractions, and production properties. Future top quark studies at hadron colliders are discussed, and predictions for event yields and uncertainties in the measurements of top quark properties are presented.

  6. Reconstruction of symmetric Dirac-Maxwell equations using nonassociative algebra

    NASA Astrophysics Data System (ADS)

    Kalauni, Pushpa; Barata, J. C. A.

    2015-01-01

    In the presence of sources, the usual Maxwell equations are neither symmetric nor invariant with respect to the duality transformation between electric and magnetic fields. Dirac proposed the existence of magnetic monopoles for symmetrizing the Maxwell equations. In the present work, we obtain the fully symmetric Dirac-Maxwell's equations (i.e. with electric and magnetic charges and currents) as a single equation by using 4 × 4 matrix presentation of fields and derivative operators. This matrix representation has been derived with the help of the algebraic properties of quaternions and octonions. Such description gives a compact representation of electric and magnetic counterparts of the field in a single equation.

  7. Experimental scheme for unambiguous discrimination of linearly independent symmetric states

    SciTech Connect

    Jimenez, O.; Burgos-Inostroza, E.; Delgado, A.; Saavedra, C.; Sanchez-Lozano, X.

    2007-12-15

    We propose an experimental setup for discriminating four linearly independent nonorthogonal symmetric quantum states. The setup is based on linear optics only and can be configured to implement both optimal unambiguous state discrimination [Chefles and Barnett, Phys. Lett. A 250, 223 (1998)] and minimum error discrimination. In both cases, the setup is characterized by an optimal success probability. The experimental setup can be generalized to the case of discrimination among N linearly nonorthogonal symmetric quantum states. We also study the discrimination between two incoherent superpositions of symmetric states. In this case, the setup also achieves an optimal success probability in the case of unambiguous discrimination as well as minimum error discrimination.

  8. (M-theory-)Killing spinors on symmetric spaces

    NASA Astrophysics Data System (ADS)

    Hustler, Noel; Lischewski, Andree

    2015-08-01

    We show how the theory of invariant principal bundle connections for reductive homogeneous spaces can be applied to determine the holonomy of generalised Killing spinor covariant derivatives of the form D = ? + ? in a purely algebraic and algorithmic way, where ? : TM ? ??(TM) is a left-invariant homomorphism. Specialising this to the case of symmetric M-theory backgrounds (i.e., (M, g, F) with (M, g) an eleven-dimensional Lorentzian (locally) symmetric space and F an invariant closed 4-form), we derive several criteria for such a background to preserve some supersymmetry and consequently find all supersymmetric symmetric M-theory backgrounds.

  9. Geometric characteristics of aberrations of plane-symmetric optical systems

    SciTech Connect

    Lu Lijun; Deng Zhiyong

    2009-12-20

    The geometric characteristics of aberrations of plane-symmetric optical systems are studied in detail with a wave-aberration theory. It is dealt with as an extension of the Seidel aberrations to realize a consistent aberration theory from axially symmetric to plane-symmetric systems. The aberration distribution is analyzed with the spot diagram of a ray and an aberration curve. Moreover, the root-mean-square value and the centroid of aberration distribution are discussed. The numerical results are obtained with the focusing optics of a toroidal mirror at grazing incidence.

  10. SelInv - An Algorithm for Selected Inversion of a Sparse Symmetric Matrix

    SciTech Connect

    Lin, Lin; Yang, Chao; Meza, Juan C.; Lu, Jianfeng; Ying, Lexing; E, Weinan

    2009-10-16

    We describe an efficient implementation of an algorithm for computing selected elements of a general sparse symmetric matrix A that can be decomposed as A = LDL^T, where L is lower triangular and D is diagonal. Our implementation, which is called SelInv, is built on top of an efficient supernodal left-looking LDL^T factorization of A. We discuss how computational efficiency can be gained by making use of a relative index array to handle indirect addressing. We report the performance of SelInv on a collection of sparse matrices of various sizes and nonzero structures. We also demonstrate how SelInv can be used in electronic structure calculations.

  11. A novel sandwich differential capacitive accelerometer with symmetrical double-sided serpentine beam-mass structure

    NASA Astrophysics Data System (ADS)

    Xiao, D. B.; Li, Q. S.; Hou, Z. Q.; Wang, X. H.; Chen, Z. H.; Xia, D. W.; Wu, X. Z.

    2016-02-01

    This paper presents a novel differential capacitive silicon micro-accelerometer with symmetrical double-sided serpentine beam-mass sensing structure and glass-silicon-glass sandwich structure. The symmetrical double-sided serpentine beam-mass sensing structure is fabricated with a novel pre-buried mask fabrication technology, which is convenient for manufacturing multi-layer sensors. The glass-silicon-glass sandwich structure is realized by a double anodic bonding process. To solve the problem of the difficulty of leading out signals from the top and bottom layer simultaneously in the sandwich sensors, a silicon pillar structure is designed that is inherently simple and low-cost. The prototype is fabricated and tested. It has low noise performance (the peak to peak value is 40 μg) and μg-level Allan deviation of bias (2.2 μg in 1 h), experimentally demonstrating the effectiveness of the design and the novel fabrication technology.

  12. Flow-separation patterns on symmetric forebodies

    NASA Technical Reports Server (NTRS)

    Keener, Earl R.

    1986-01-01

    Flow-visualization studies of ogival, parabolic, and conical forebodies were made in a comprehensive investigation of the various types of flow patterns. Schlieren, vapor-screen, oil-flow, and sublimation flow-visualization tests were conducted over an angle-of-attack range from 0 deg. to 88 deg., over a Reynolds-number range from 0.3X10(6) to 2.0X10(6) (based on base diameter), and over a Mach number range from 0.1 to 2. The principal effects of angle of attack, Reynolds number, and Mach number on the occurrence of vortices, the position of vortex shedding, the principal surface-flow-separation patterns, the magnitude of surface-flow angles, and the extent of laminar and turbulent flow for symmetric, asymmetric, and wake-like flow-separation regimes are presented. It was found that the two-dimensional cylinder analogy was helpful in a qualitative sense in analyzing both the surface-flow patterns and the external flow field. The oil-flow studies showed three types of primary separation patterns at the higher Reynolds numbers owing to the influence of boundary-layer transition. The effect of angle of attack and Reynolds number is to change the axial location of the onset and extent of the primary transitional and turbulent separation regions. Crossflow inflectional-instability vortices were observed on the windward surface at angles of attack from 5 deg. to 55 deg. Their effect is to promote early transition. At low angles of attack, near 10 deg., an unexpected laminar-separation bubble occurs over the forward half of the forebody. At high angles of attack, at which vortex asymmetry occurs, the results support the proposition that the principal cause of vortex asymmetry is the hydrodynamic instability of the inviscid flow field. On the other hand, boundary-layer asymmetries also occur, especially at transitional Reynolds numbers. The position of asymmetric vortex shedding moves forward with increasing angle of attack and with increasing Reynolds number, and moves rearward with increasing Mach number.

  13. The importance of new molecules in selective perfumery.

    PubMed

    Roucel, Maurice; Grau, Fanny

    2014-10-01

    Perfumery can only evolve thanks to new ingredients. We highlight herein some key molecules and their use in 'Selective Perfumery': the violet odorant undecavertol, the floral nerolione and coumarone, the gourmand cappuccino levistamel, the sandalwood notes Sandranol() or Bacdanol() , the fruity top note Magnolia Flower oil, and finally the woody ambery Ambrocenide() . PMID:25329780

  14. Corrosion protection of surfaces by nanocomposite and urethane top coatings

    NASA Astrophysics Data System (ADS)

    Asmatulu, Ramazan; Claus, Richard O.; Mecham, J. B.; Corcoran, S. G.

    2005-05-01

    In the present study, nanosized silica particles (~100 nm) were incorporated into epoxy polymers, and then sprayed on molybdenum treated Al coupons (2024-T3) by a nozzle spray unit at different thicknesses. A urethane top coating (1 mil) was also applied on some of the initially coated surfaces. The main purpose of the SiO2 and urethane was to absorb/block unwanted ions/molecules (i.e., Cl-, O, OH-, H2O, etc.) and increase the coating performance. Several corrosion tests including electrochemical impedance spectroscopy (EIS), salt spray and salt soaking were conducted on the prepared samples using a 0.5 M NaCl solution. The Al coupons coated with such nanocomposites and a urethane top coating showed excellent coating resistances (8x109 ohm-cm2) against corrosion attack. As a result, it is assumed that this novel coating system will allow coating industry to effectively protect the surface of materials.

  15. Molecules between the Stars.

    ERIC Educational Resources Information Center

    Verschuur, Gerrit L.

    1987-01-01

    Provides a listing of molecules discovered to date in the vast interstellar clouds of dust and gas. Emphasizes the recent discoveries of organic molecules. Discusses molecular spectral lines, MASERs (microwave amplification by stimulated emission of radiation), molecular clouds, and star birth. (TW)

  16. Adhesion molecules and receptors

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Adhesion molecules are necessary for leukocyte trafficking and differentiation. They serve to initiate cell-cell interactions under conditions of shear, and they sustain the cell-cell and cell-matrix interactions needed for cellular locomotion. They also can serve directly as signaling molecules act...

  17. Enzymatic DNA molecules

    NASA Technical Reports Server (NTRS)

    Joyce, Gerald F. (Inventor); Breaker, Ronald R. (Inventor)

    1998-01-01

    The present invention discloses deoxyribonucleic acid enzymes--catalytic or enzymatic DNA molecules--capable of cleaving nucleic acid sequences or molecules, particularly RNA, in a site-specific manner, as well as compositions including same. Methods of making and using the disclosed enzymes and compositions are also disclosed.

  18. 14 CFR 23.331 - Symmetrical flight conditions.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... inertia loads corresponding to any of the symmetrical flight conditions specified in 23.333 through 23... angular inertia of the airplane in a rational or conservative manner. (c) Mutual influence of...

  19. 14 CFR 23.331 - Symmetrical flight conditions.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... inertia loads corresponding to any of the symmetrical flight conditions specified in 23.333 through 23... angular inertia of the airplane in a rational or conservative manner. (c) Mutual influence of...

  20. A parallel algorithm for the non-symmetric eigenvalue problem

    SciTech Connect

    Dongarra, J.; Sidani, M. . Dept. of Computer Science Oak Ridge National Lab., TN )

    1991-12-01

    This paper describes a parallel algorithm for computing the eigenvalues and eigenvectors of a non-symmetric matrix. The algorithm is based on a divide-and-conquer procedure and uses an iterative refinement technique.

  1. Topological States in Partially-PT -Symmetric Azimuthal Potentials

    NASA Astrophysics Data System (ADS)

    Kartashov, Yaroslav V.; Konotop, Vladimir V.; Torner, Lluis

    2015-11-01

    We introduce partially-parity-time (p PT ) -symmetric azimuthal potentials composed from individual PT -symmetric cells located on a ring, where two azimuthal directions are nonequivalent in a sense that in such potential excitations carrying topological dislocations exhibit different dynamics for different directions of energy circulation in the initial field distribution. Such nonconservative ratchetlike structures support rich families of stable vortex solitons in cubic nonlinear media, whose properties depend on the sign of the topological charge due to the nonequivalence of azimuthal directions. In contrast, oppositely charged vortex solitons remain equivalent in similar fully-P T -symmetric potentials. The vortex solitons in the p P T - and P T -symmetric potentials are shown to feature qualitatively different internal current distributions, which are described by different discrete rotation symmetries of the intensity profiles.

  2. 47 CFR 51.711 - Symmetrical reciprocal compensation.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 3 2013-10-01 2013-10-01 false Symmetrical reciprocal compensation. 51.711 Section 51.711 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER SERVICES (CONTINUED) INTERCONNECTION Reciprocal Compensation for Transport and Termination of...

  3. Symmetric polynomials in information theory: Entropy and subentropy

    SciTech Connect

    Jozsa, Richard; Mitchison, Graeme

    2015-06-15

    Entropy and other fundamental quantities of information theory are customarily expressed and manipulated as functions of probabilities. Here we study the entropy H and subentropy Q as functions of the elementary symmetric polynomials in the probabilities and reveal a series of remarkable properties. Derivatives of all orders are shown to satisfy a complete monotonicity property. H and Q themselves become multivariate Bernstein functions and we derive the density functions of their Levy-Khintchine representations. We also show that H and Q are Pick functions in each symmetric polynomial variable separately. Furthermore, we see that H and the intrinsically quantum informational quantity Q become surprisingly closely related in functional form, suggesting a special significance for the symmetric polynomials in quantum information theory. Using the symmetric polynomials, we also derive a series of further properties of H and Q.

  4. Computational design of a self-assembling symmetrical ?-propeller protein

    PubMed Central

    Voet, Arnout R. D.; Noguchi, Hiroki; Addy, Christine; Simoncini, David; Terada, Daiki; Unzai, Satoru; Park, Sam-Yong; Zhang, Kam Y. J.; Tame, Jeremy R. H.

    2014-01-01

    The modular structure of many protein families, such as ?-propeller proteins, strongly implies that duplication played an important role in their evolution, leading to highly symmetrical intermediate forms. Previous attempts to create perfectly symmetrical propeller proteins have failed, however. We have therefore developed a new and rapid computational approach to design such proteins. As a test case, we have created a sixfold symmetrical ?-propeller protein and experimentally validated the structure using X-ray crystallography. Each blade consists of 42 residues. Proteins carrying 210 identical blades were also expressed and purified. Two or three tandem blades assemble to recreate the highly stable sixfold symmetrical architecture, consistent with the duplication and fusion theory. The other proteins produce different monodisperse complexes, up to 42 blades (180 kDa) in size, which self-assemble according to simple symmetry rules. Our procedure is suitable for creating nano-building blocks from different protein templates of desired symmetry. PMID:25288768

  5. Symmetrical ilial pseudofractures: A complication of chronic renal failure

    SciTech Connect

    Griffin, C.N. Jr.

    1982-08-01

    A patient with chronic renal failure and progressive symmetrical ilial pseudofractures (Looser zones, Milkman's syndrome) is presented. The literature is reviewed in light of the findings in this patient, and possible mechanisms of pseudofracture formation are discussed.

  6. Systems of Differential Equations with Skew-Symmetric, Orthogonal Matrices

    ERIC Educational Resources Information Center

    Glaister, P.

    2008-01-01

    The solution of a system of linear, inhomogeneous differential equations is discussed. The particular class considered is where the coefficient matrix is skew-symmetric and orthogonal, and where the forcing terms are sinusoidal. More general matrices are also considered.

  7. Heavy flavour physics from top to bottom

    SciTech Connect

    Paulini, M.; CDF and D0 Collaboration

    1998-02-01

    We review the status of heavy flavour physics at the Fermilab Tevatron collider by summarizing recent top quark and B physics results from CDF and D0. In particular we discuss the measurement of the top quark mass and top production cross section as well as B meson lifetimes and time dependent B{anti B} mixing results. An outlook of perspectives for top and B physics in Run II starting in 1999 is also given.

  8. Heavy flavour physics from top to bottom

    SciTech Connect

    Paulini, M.; CDF and D0 Collaborations

    1997-01-01

    We review the status of heavy flavour physics at the Fermilab Tevatron collider by summarizing recent top quark and B physics results from CDF and D0. In particular we discuss the measurement of the top quark mass and top production cross section as well as B meson lifetimes and time dependent B{bar B} mixing results. An outlook of perspectives for top and B physics in Run II starting in 1999 is also given. 38 refs., 23 figs., 8 tabs.

  9. Cloud-top parameters - A hail indicator

    NASA Technical Reports Server (NTRS)

    Pearl, E. W.; Shenk, W. E.; Skillman, W.

    1975-01-01

    Airborne photographic observations of four hail-producing storms are discussed. With the exception of one storm producing a tornadic event, the overshooting tops were nearly steady-state. The tops were consistently high and wide, reaching maximum heights within about 5 minutes of the initiation of hail. Measured updraft velocities in the turrets composing the overshooting top were 25 m/sec. The dimensions of the overshooting tops were sufficiently large to permit satellite observation.

  10. Crossing symmetric potential model of pion-nucleon scattering

    SciTech Connect

    Blankleider, B.; Skawronski, T.; Kvinikhidze, A. N.

    2010-07-27

    A crossing symmetric {pi}N scattering amplitude is constructed through a complete attachment of two external pions to the dressed nucleon propagator of an underlying {pi}N potential model. Our formulation automatically provides expressions also for the crossing symmetric and gauge invariant pion photoproduction and Compton scattering amplitudes. We show that our amplitudes are unitary if they coincide on-shell with the amplitudes obtained by attaching one pion to the dressed {pi}NN vertex of the same potential model.

  11. On projective invariants of spherically symmetric Finsler spaces in Rn

    NASA Astrophysics Data System (ADS)

    Sadeghzadeh, Nasrin; Hesamfar, Maedeh

    2015-05-01

    In this paper, we study projective invariants of spherically symmetric Finsler metrics in Rn. We find the necessary and sufficient conditions for the metrics to be Weyl, Douglas and generalized Douglas-Weyl (GDW) types. In particular, we find the necessary and sufficient condition for the metrics to be of scalar flag curvature. Also we show that two classes of GDW and Douglas spherically symmetric Finsler metrics coincide.

  12. Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture

    NASA Astrophysics Data System (ADS)

    Martnez-Ruiz, F. J.; Moreno-Ventas Bravo, A. I.; Blas, F. J.

    2015-09-01

    We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, ?11 = ?22, with the same dispersive energy between like species, ?11 = ?22, but different dispersive energies between unlike species low enough to induce phase separation. We use the extensions of the improved version of the inhomogeneous long-range corrections of Janec?ek [J. Phys. Chem. B 110, 6264 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] and Martnez-Ruiz et al. [J. Chem. Phys. 141, 184701 (2014)], to deal with the interaction energy and microscopic components of the pressure tensor. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of the symmetrical mixture with different cut-off distances rc and in combination with the inhomogeneous long-range corrections. The pressure tensor is obtained using the mechanical (virial) and thermodynamic route. The liquid-liquid interfacial tension is also evaluated using three different procedures, the Irving-Kirkwood method, the difference between the macroscopic components of the pressure tensor, and the test-area methodology. This allows to check the validity of the recent extensions presented to deal with the contributions due to long-range corrections for intermolecular energy and pressure tensor in the case of binary mixtures that exhibit liquid-liquid immiscibility. In addition to the pressure tensor and the surface tension, we also obtain density profiles and coexistence densities and compositions as functions of pressure, at a given temperature. According to our results, the main effect of increasing the cut-off distance rc is to sharpen the liquid-liquid interface and to increase the width of the biphasic coexistence region. Particularly interesting is the presence of a relative minimum in the total density profiles of the symmetrical mixture. This minimum is related with a desorption of the molecules at the interface, a direct consequence of a combination of the weak dispersive interactions between unlike species of the symmetrical binary mixture, and the presence of an interfacial region separating the two immiscible liquid phases in coexistence.

  13. Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture.

    PubMed

    Martínez-Ruiz, F J; Moreno-Ventas Bravo, A I; Blas, F J

    2015-09-14

    We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ11 = σ22, with the same dispersive energy between like species, ϵ11 = ϵ22, but different dispersive energies between unlike species low enough to induce phase separation. We use the extensions of the improved version of the inhomogeneous long-range corrections of Janec̆ek [J. Phys. Chem. B 110, 6264 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] and Martínez-Ruiz et al. [J. Chem. Phys. 141, 184701 (2014)], to deal with the interaction energy and microscopic components of the pressure tensor. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of the symmetrical mixture with different cut-off distances rc and in combination with the inhomogeneous long-range corrections. The pressure tensor is obtained using the mechanical (virial) and thermodynamic route. The liquid-liquid interfacial tension is also evaluated using three different procedures, the Irving-Kirkwood method, the difference between the macroscopic components of the pressure tensor, and the test-area methodology. This allows to check the validity of the recent extensions presented to deal with the contributions due to long-range corrections for intermolecular energy and pressure tensor in the case of binary mixtures that exhibit liquid-liquid immiscibility. In addition to the pressure tensor and the surface tension, we also obtain density profiles and coexistence densities and compositions as functions of pressure, at a given temperature. According to our results, the main effect of increasing the cut-off distance rc is to sharpen the liquid-liquid interface and to increase the width of the biphasic coexistence region. Particularly interesting is the presence of a relative minimum in the total density profiles of the symmetrical mixture. This minimum is related with a desorption of the molecules at the interface, a direct consequence of a combination of the weak dispersive interactions between unlike species of the symmetrical binary mixture, and the presence of an interfacial region separating the two immiscible liquid phases in coexistence. PMID:26374055

  14. Observation of ultralong-range Rydberg molecules.

    PubMed

    Bendkowsky, Vera; Butscher, Bjrn; Nipper, Johannes; Shaffer, James P; Lw, Robert; Pfau, Tilman

    2009-04-23

    Rydberg atoms have an electron in a state with a very high principal quantum number, and as a result can exhibit unusually long-range interactions. One example is the bonding of two such atoms by multipole forces to form Rydberg-Rydberg molecules with very large internuclear distances. Notably, bonding interactions can also arise from the low-energy scattering of a Rydberg electron with negative scattering length from a ground-state atom. In this case, the scattering-induced attractive interaction binds the ground-state atom to the Rydberg atom at a well-localized position within the Rydberg electron wavefunction and thereby yields giant molecules that can have internuclear separations of several thousand Bohr radii. Here we report the spectroscopic characterization of such exotic molecular states formed by rubidium Rydberg atoms that are in the spherically symmetric s state and have principal quantum numbers, n, between 34 and 40. We find that the spectra of the vibrational ground state and of the first excited state of the Rydberg molecule, the rubidium dimer Rb(5s)-Rb(ns), agree well with simple model predictions. The data allow us to extract the s-wave scattering length for scattering between the Rydberg electron and the ground-state atom, Rb(5s), in the low-energy regime (kinetic energy, <100 meV), and to determine the lifetimes and the polarizabilities of the Rydberg molecules. Given our successful characterization of s-wave bound Rydberg states, we anticipate that p-wave bound states, trimer states and bound states involving a Rydberg electron with large angular momentum-so-called trilobite molecules-will also be realized and directly probed in the near future. PMID:19396141

  15. Designing a small molecule erythropoietin mimetic.

    PubMed

    Guarnieri, Frank

    2015-01-01

    Erythropoietin (EPO) is a protein made by the kidneys in response to low red blood cell count that is secreted into the bloodstream and binds to a receptor on hematopoietic stem cells in the bone marrow inducing them to become new red blood cells. EPO made with recombinant DNA technology was brought to market in the 1980s to treat anemia caused by kidney disease and cancer chemotherapy. Because EPO infusion was able to replace blood transfusions in many cases, it rapidly became a multibillion dollar per year drug and as the first biologic created with recombinant technology it launched the biotech industry. For many years intense research was focused on creating a small molecule orally available EPO mimetic. The Robert Wood Johnson (RWJ) group seemed to definitively establish that only large peptides with a minimum of 60 residues could replace EPO, as anything less was not a full agonist. An intense study of the published work led me to hypothesize that the size of the mimetic is not the real issue, but the symmetry making and breaking of the EPO receptor induced by the ligand is the key to activating the stem cells. This analysis meant that residues in the binding site of the receptor deemed absolutely essential for ligand binding and activation from mutagenesis experiments, were probably not really that important. My fundamental hypotheses were: (a) the symmetric state of the homodimeric receptor is the most stable state and thus must be the off-state, (b) a highly localized binding site exists at a pivot point where the two halves of the receptor meet, (c) small molecules can be created that have high potency for this site that will be competitive with EPO and thus can displace the protein-protein interaction, (d) small symmetric molecules will stabilize the symmetric off-state of the receptor, and (e) a key asymmetry in the small molecule will stabilize a mirror image asymmetry in the receptor resulting in the stabilization of the on-state and proliferation of the stem cells into red blood cells. Researchers at Amgen published a co-crystal structure of EPO bound to the EPO receptor, which has a beautiful twofold symmetry-it was argued that this is the active state of the receptor. Activating the EPO receptor with EPO induces an almost instantaneous shutdown mechanism to sharply curtail any proliferative signal transduction, and thus, my hypotheses lead to the conclusion that the Amgen co-crystal is actually the state after receptor downregulation and thus an off-state. To put these hypotheses to the test, my computational method of Simulated Annealing of Chemical Potential was run using the co-crystal created at RWJ, which is the receptor trapped in a partial agonist state. The simulations predicted a previously unknown high affinity binding site at the pivot point where the two halves of the dimeric receptor meet, and detailed analysis of the fragment patterns led to the prediction of a molecule less than 300 MW that is basically twofold symmetric with a chiral center on one side and not the other. Thus, to the degree that computer simulations can be taken seriously, these results support my hypotheses on small molecule receptor activation. When this small molecule was synthesized and tested it indeed induced human hematopoietic stems cells to become red blood cells. When the predicted chiral center of this molecule was removed eliminating its one asymmetric feature, the resulting molecule was an antagonist-it could potently displace hot EPO but could no longer induce stem cell proliferation and differentiation. These results provided strong support for my theories on how to create potent small molecule EPO agonists and were used to launch the new company Locus Pharmaceuticals. These molecules, however, required significant chemical changes in order to make them stable in other in vitro assays and to be in vivo active, but these alterations had to be done in a way that maintained the symmetry-asymmetry considerations that led to the creation of an in vitro active molecule. The combination of changing functional groups to enable good pharmacokinetics, while not changing the key intrinsic symmetry properties were never seriously pursued at Locus and the program died. Investigations into how red blood cells are created have occupied many prominent researchers for the entire twentieth century. In the second half of the century EPO was discovered and by the end of the century it became a blockbuster commercial product that launched the biotech revolution. PMID:25709041

  16. Top 10 TARN research publications

    PubMed Central

    Edwards, Antoinette

    2015-01-01

    The last 25?years have seen Trauma Audit and Research Network's (TARN) research agenda develop into a significant portfolio of over 100 publications, including a number of international collaborations. Holding the largest trauma registry in Europe, TARN continues to provide researchers with the ability to pursue their interests in both epidemiological and clinical topics relating to traumatic injury. This edition of the Emergency Medicine Journal provides an opportunity to celebrate some of these papers with a Top 10, which have been voted by members of the TARN Research Committee on the basis of their impact. PMID:26598632

  17. MHD Integrated Topping Cycle Project

    SciTech Connect

    Not Available

    1992-07-01

    This eighteenth quarterly technical progress report of the MHD Integrated Topping cycle Project presents the accomplishments during the period November 1, 1991 to January 31, 1992. The precombustor is fully assembled. Manufacturing of all slagging stage components has been completed. All cooling panels were welded in place and the panel/shell gap was filled with RTV. Final combustor assembly is in progress. The low pressure cooling subsystem (LPCS) was delivered to the CDIF. Second stage brazing issues were resolved. The construction of the two anode power cabinets was completed.

  18. Table-top job analysis

    SciTech Connect

    Not Available

    1994-12-01

    The purpose of this Handbook is to establish general training program guidelines for training personnel in developing training for operation, maintenance, and technical support personnel at Department of Energy (DOE) nuclear facilities. TTJA is not the only method of job analysis; however, when conducted properly TTJA can be cost effective, efficient, and self-validating, and represents an effective method of defining job requirements. The table-top job analysis is suggested in the DOE Training Accreditation Program manuals as an acceptable alternative to traditional methods of analyzing job requirements. DOE 5480-20A strongly endorses and recommends it as the preferred method for analyzing jobs for positions addressed by the Order.

  19. Top-down cellular pyramids

    SciTech Connect

    Wu, A.Y.; Rosenfeld, A.

    1982-07-01

    A cellular pyramid is an exponentially tapering stack of arrays of processors ('cells'), where each cell is connected to its neighbors ('siblings') on its own level, to a 'parent' on the level above, and to its 'children' on the level below. It is shown that in some situations, if information flows top-down only, from fathers to sons, then a cellular pyramid may be no faster than a one-level cellular array; but it may be possible to use simpler cells in the pyramid case.

  20. Top 10 TARN research publications.

    PubMed

    Edwards, Antoinette

    2015-12-01

    The last 25?years have seen Trauma Audit and Research Network's (TARN) research agenda develop into a significant portfolio of over 100 publications, including a number of international collaborations. Holding the largest trauma registry in Europe, TARN continues to provide researchers with the ability to pursue their interests in both epidemiological and clinical topics relating to traumatic injury. This edition of the Emergency Medicine Journal provides an opportunity to celebrate some of these papers with a 'Top 10', which have been voted by members of the TARN Research Committee on the basis of their impact. PMID:26598632

  1. Canada's top 5 in 5.

    PubMed

    Villeneuve, Michael; Wildfong, Don

    2013-01-01

    In 2011, the Canadian Nurses Association made a decision to establish and fund a national commission focused on health system transformation, the National Expert Commission. In 2012, the commission presented an action plan, the lead recommendation of which was to ensure that Canada ranks among the top five nations on five key population health status and system performance indicators in the next five years. In this article, the authors outline the selection of the these indicators and the associated goals for improvement. PMID:24034771

  2. Robustness of differentiation cascades with symmetric stem cell division

    PubMed Central

    Snchez-Taltavull, Daniel; Alarcn, Toms

    2014-01-01

    Stem cells (SCs) perform the task of maintaining tissue homeostasis by both self-renewal and differentiation. While it has been argued that SCs divide asymmetrically, there is also evidence that SCs undergo symmetric division. Symmetric SC division has been speculated to be key for expanding cell numbers in development and regeneration after injury. However, it might lead to uncontrolled growth and malignancies such as cancer. In order to explore the role of symmetric SC division, we propose a mathematical model of the effect of symmetric SC division on the robustness of a population regulated by a serial differentiation cascade and we show that this may lead to extinction of such population. We examine how the extinction likelihood depends on defining characteristics of the population such as the number of intermediate cell compartments. We show that longer differentiation cascades are more prone to extinction than systems with less intermediate compartments. Furthermore, we have analysed the possibility of mixed symmetric and asymmetric cell division against invasions by mutant invaders in order to find optimal architecture. Our results show that more robust populations are those with unfrequent symmetric behaviour. PMID:24718457

  3. In Praise of Top-Down Leadership

    ERIC Educational Resources Information Center

    Dufour, Richard

    2007-01-01

    In the ongoing debate of the efficacy of top-down versus bottom-up strategies to improve school districts, top-down is clearly losing. Many district leaders are reluctant to champion improvement for fear of being labeled with the epithet "top-down leader," the unkindest cut of all. In this article, the author presents the change processes in three

  4. Top Achievements in the Education Facilities World.

    ERIC Educational Resources Information Center

    School Planning & Management, 2000

    2000-01-01

    Presents several lists of top educational facility achievements in the following categories: largest expenditures per pupil by state; design elements with the greatest impact on students' learning and achievement; top average public school teacher salaries for 1989-99; most education construction dollars spent by state; top security issues;

  5. How far the postorogenic extensional tectonics in the Aegean domain is symmetric?

    NASA Astrophysics Data System (ADS)

    Augier, Romain; Jolivet, Laurent; Gadenne, Leslie; Driussi, Olivier

    2013-04-01

    Current models to explain the finite geometry of the Aegean domain and the exhumation of the eclogite-bearing HP rocks in the Aegean domain rely on the recognition of a synorogenic exhumation regime followed by a postorogenic back-arc extension. A first generation of low-angle normal faults (LANF) developed during the subduction and the formation of the Hellenic Eocene orogenic wedge contemporaneously with the overthrusting of the Cycladic Blueschists over basement units. Other LANF were formed subsequently and accompanied the development of Metamorphic Core Complexes (MCC) during the collapse of the internal zones in the back-arc domain. Most of the stretching during postorogenic extension was accommodated by N-dipping LANF with N- to NE-sense of shear pertaining to the North Cycladic Detachment System (NCDS). More recently, the description of the top-to-the-south West Cycladic Detachment System (WCDS) resulted in a more symmetrical character of the postorogenic extension. However, the transition in time and space between these major structures, particularly the NCDS and the WCDS, which is a key question to understand the dynamics of the back-arc extension, remains widely unclear. The Folegandros-Sikinos area, whose tectonometamorphic evolution appears poorly constrained, is however quite exemplary of this discussion. Located to the south of the Cycladic Archipelago, at short distance from the WCDS last outcrop in Serifos Island, this area offers the opportunity to study both the synorogenic deformation preserved at the vicinity of the Cycladic basement and the structural transition between areas characterised by top-to-the-North and top-to-the-South kinematics during the postorogenic history. Based on an extensive field survey making the link between kinematics of the noncoaxial deformation and changing metamorphic conditions, we show that (1) a E-W syn-blueschists facies deformation is preserved within the HP lenses; (2) a penetrative, post-blueschists facies top-to-the-North sense of shear is present throughout the study area and (3) deformation that concentrates in the vicinity of the contact with the Cycladic basement is only characterized by a top-to-the-North kinematics. These results imply (4) the activity of a major postorogenic LANF roofing the Cycladic Blueschists (5) and the complete overprint of initial top-to-the-South thrust kinematics by top-to-the-North ones over the contact with the Cycladic basement that are consistent with a strong asymmetry of the deformation. Only a late, localized ductile-brittle deformation is recognized and thus ascribed to the activity of the WCDS to the West of the study area. LANF dipping in opposite directions with opposite sense of shear are then restricted to the west of Sifnos Island and separated from the central Cyclades by a sharp transition, highlighting a highly non-cylindrical deformation. Asymmetry of the postorogenic extension could be correlated with the amount of stretching. Rather symmetric deformation seems to occur in marginal areas of the domain while asymmetric deformation is encountered within highly-extended areas where lower crustal material is exhumed within MCCs.

  6. The Molecule Pages database

    PubMed Central

    Saunders, Brian; Lyon, Stephen; Day, Matthew; Riley, Brenda; Chenette, Emily; Subramaniam, Shankar

    2008-01-01

    The UCSD-Nature Signaling Gateway Molecule Pages (http://www.signaling-gateway.org/molecule) provides essential information on more than 3800 mammalian proteins involved in cellular signaling. The Molecule Pages contain expert-authored and peer-reviewed information based on the published literature, complemented by regularly updated information derived from public data source references and sequence analysis. The expert-authored data includes both a full-text review about the molecule, with citations, and highly structured data for bioinformatics interrogation, including information on protein interactions and states, transitions between states and protein function. The expert-authored pages are anonymously peer reviewed by the Nature Publishing Group. The Molecule Pages data is present in an object-relational database format and is freely accessible to the authors, the reviewers and the public from a web browser that serves as a presentation layer. The Molecule Pages are supported by several applications that along with the database and the interfaces form a multi-tier architecture. The Molecule Pages and the Signaling Gateway are routinely accessed by a very large research community. PMID:17965093

  7. The Isotopic Anatomies of Molecules and Minerals

    NASA Astrophysics Data System (ADS)

    Eiler, John M.

    2013-05-01

    Most natural compounds are composed of diverse isotopologues that differ in the number and/or symmetrically unique atomic locations of isotopic substitutions. Little of this isotopic diversity is observed by conventional methods of stable isotope geochemistry, which generally measure concentrations of rare isotopes without constraining differences in isotopic composition between different atomic sites or nonrandom probabilities of multiple isotopic substitutions in the same molecule. Recent advances in analytical instrumentation and methodology have created a set of geochemical toolsgeothermometers, biosynthetic signatures, forensic fingerprintsbased on these position-specific isotope effects and multiply substituted isotopologues. This progress suggests we are entering a period in which many new geochemical tools of this type will be created. This review describes the principles, background, analytical methods, existing applied tools, and likely future progress of this emerging field.

  8. Ultrafast optical switching using photonic molecules in photonic crystal waveguides.

    PubMed

    Zhao, Yanhui; Qian, Chenjiang; Qiu, Kangsheng; Gao, Yunan; Xu, Xiulai

    2015-04-01

    We study the coupling between photonic molecules and waveguides in photonic crystal slab structures using finite-difference time-domain method and coupled mode theory. In a photonic molecule with two cavities, the coupling of cavity modes results in two super-modes with symmetric and anti-symmetric field distributions. When two super-modes are excited simultaneously, the energy of electric field oscillates between the two cavities. To excite and probe the energy oscillation, we integrate photonic molecule with two photonic crystal waveguides. In coupled structure, we find that the quality factors of two super-modes might be different because of different field distributions of super-modes. After optimizing the radii of air holes between two cavities of photonic molecule, nearly equal quality factors of two super-modes are achieved, and coupling strengths between the waveguide modes and two super-modes are almost the same. In this case, complete energy oscillations between two cavities can be obtained with a pumping source in one waveguide, which can be read out by another waveguide. Finally, we demonstrate that the designed structure can be used for ultrafast optical switching with a time scale of a few picoseconds. PMID:25968755

  9. MHD Integrated Topping Cycle Project

    SciTech Connect

    Not Available

    1992-03-01

    The Magnetohydrodynamics (MHD) Integrated Topping Cycle (ITC) Project represents the culmination of the proof-of-concept (POC) development stage in the US Department of Energy (DOE) program to advance MHD technology to early commercial development stage utility power applications. The project is a joint effort, combining the skills of three topping cycle component developers: TRW, Avco/TDS, and Westinghouse. TRW, the prime contractor and system integrator, is responsible for the 50 thermal megawatt (50 MW{sub t}) slagging coal combustion subsystem. Avco/TDS is responsible for the MHD channel subsystem (nozzle, channel, diffuser, and power conditioning circuits), and Westinghouse is responsible for the current consolidation subsystem. The ITC Project will advance the state-of-the-art in MHD power systems with the design, construction, and integrated testing of 50 MW{sub t} power train components which are prototypical of the equipment that will be used in an early commercial scale MHD utility retrofit. Long duration testing of the integrated power train at the Component Development and Integration Facility (CDIF) in Butte, Montana will be performed, so that by the early 1990's, an engineering data base on the reliability, availability, maintainability and performance of the system will be available to allow scaleup of the prototypical designs to the next development level. This Sixteenth Quarterly Technical Progress Report covers the period May 1, 1991 to July 31, 1991.

  10. MHD Integrated Topping Cycle Project

    SciTech Connect

    Not Available

    1992-01-01

    The overall objective of the project is to design and construct prototypical hardware for an integrated MHD topping cycle, and conduct long duration proof-of-concept tests of integrated system at the US DOE Component Development and Integration Facility in Butte, Montana. The results of the long duration tests will augment the existing engineering design data base on MHD power train reliability, availability, maintainability, and performance, and will serve as a basis for scaling up the topping cycle design to the next level of development, an early commercial scale power plant retrofit. The components of the MHD power train to be designed, fabricated, and tested include: A slagging coal combustor with a rated capacity of 50 MW thermal input, capable of operation with an Eastern (Illinois {number sign}6) or Western (Montana Rosebud) coal, a segmented supersonic nozzle, a supersonic MHD channel capable of generating at least 1.5 MW of electrical power, a segmented supersonic diffuser section to interface the channel with existing facility quench and exhaust systems, a complete set of current control circuits for local diagonal current control along the channel, and a set of current consolidation circuits to interface the channel with the existing facility inverter.

  11. Measurements of top quark properties at CDF

    SciTech Connect

    Kraan, Aafke C.; /Pennsylvania U.

    2006-11-01

    The top quark with its mass of about 172 GeV/c{sup 2} is the most massive fundamental particle observed by experiment. In this talk they highlight the most recent measurements of several top quark properties performed with the CDF detector based on data samples corresponding to integrated luminosities up to 1 fb{sup -1}. These results include a search for top quark pair production via new massive resonances, measurements of the helicity of the W boson from top-quark decay, and a direct limit on the lifetime of the top quark.

  12. Top Quark Physics at the Tevatron

    SciTech Connect

    Deliot, Frederic; Glenzinski, Douglas A.; /Fermilab

    2010-10-01

    The authors review the field of top-quark physics with an emphasis on experimental techniques. The role of the top quark in the Standard Model of particle physics is summarized and the basic phenomenology of top-quark production and decay is introduced. They discuss how contributions from physics beyond the Standard model could affect the top-quark properties or event samples. The many measurements made at the Fermilab Tevatron, which test the Standard model predictions or probe for direct evidence of new physics using the top-quark event samples, are reviewed here.

  13. Single-Molecule Enzymology

    SciTech Connect

    Xie, Xiaoliang; Lu, H PETER.

    1999-06-04

    Viewing a movie of an enzyme molecule made from molecular dynamics (MD) simulation, we see incredible details of molecular motions, be it a change of the conformation or the action of a chemical reaction.

  14. Of Molecules and Models.

    ERIC Educational Resources Information Center

    Brinner, Bonnie

    1992-01-01

    Presents an activity in which models help students visualize both the DNA process and transcription. After constructing DNA, RNA messenger, and RNA transfer molecules; students model cells, protein synthesis, codons, and RNA movement. (MDH)

  15. Interlocked molecules: Aqueous assembly

    NASA Astrophysics Data System (ADS)

    Bai, Linyi; Zhao, Yanli

    2015-12-01

    The quantitative self-assembly of mechanically interlocked molecules in water, instead of organic solvents, opens up the possibility of such systems being used in a biological context where their functions can be interfaced with biomolecular systems.

  16. LHC limits on the top-Higgs in models with strong top-quark dynamics

    SciTech Connect

    Chivukula, R. Sekhar; Simmons, Elizabeth H.; Coleppa, Baradhwaj; Logan, Heather E.; Martin, Adam

    2011-11-01

    LHC searches for the standard model Higgs boson in WW or ZZ decay modes place strong constraints on the top-Higgs state predicted in many models with new dynamics preferentially affecting top quarks. Such a state couples strongly to top quarks, and is therefore produced through gluon fusion at a rate enhanced relative to the rate for the standard model Higgs boson. A top-Higgs state with mass less than 300 GeV is excluded at 95% C.L. if the associated top-pion has a mass of 150 GeV, and the constraint is even stronger if the mass of the top-pion state exceeds the top-quark mass or if the top-pion decay constant is a substantial fraction of the weak scale. These results have significant implications for theories with strong top dynamics, such as topcolor-assisted technicolor, top-seesaw models, and certain Higgsless models.

  17. Optical Centrifuge for Molecules

    NASA Astrophysics Data System (ADS)

    Karczmarek, Joanna; Wright, James; Corkum, Paul; Ivanov, Misha

    1999-04-01

    Strong infrared fields can be used for controlled spinning of molecules to very high angular momentum states. The angular momentum acquired can be sufficient to break molecular bonds. The approach is suitable for all anisotropic molecules, and we illustrate it by dissociating a homonuclear diatomic Cl2, with optical centrifuge efficiently separating Cl35 and Cl37 isotopes and thus demonstrating high sensitivity to the moment of inertia.

  18. Quasi-3D modeling, design, and analysis of symmetric on-chip inductors in silicon-on-sapphire technology

    NASA Astrophysics Data System (ADS)

    Kong, Wan-Chul; Al-Sarawi, Said F.; Lim, Cheng-Chew; Wong, Louis

    2004-03-01

    A design and analysis of symmetric on-chip planar inductors are presented based in 0.5 ?m silicon-on-sapphire CMOS process of Peregrine Semiconductor. Compared to conventional CMOS processes, an insulating thick sapphire (Al2O3) substrate enables higher quality factor inductors due to low energy loss in the substrate. In addition, symmetric cross-coupled configuration of identical asymmetric inductors of thick top metalization minimizes the insertion loss. Such differentially connected inductors are simulated on 2.5D electromagnetic field environment and a modeling method of quasi-3D structures is introduced for the metal strips. Maximum quality factor of 53.6 with 2.34 nH at 8.9 GHz is achieved by optimizing the symmetric circular inductors. This inductor is used in the design of a low power (0.42 mW) LC VCO operating at 5.8 GHz and exhibits a phase noise of -120.6 dBc/Hz at 3 MHz offset frequency.

  19. Single-molecule magnets

    NASA Astrophysics Data System (ADS)

    Aubin, Sheila Marie Josee

    This thesis discusses the syntheses and magnetization studies of several single-molecule magnets. These single- molecule magnets are also shown to display resonant magnetization tunneling. In chapter 1 an introduction into this area of research and similar areas of research are presented. In chapter 2 several complexes from a family of molecules with [ Mn4O3X]6+ cores are shown to behave as single-molecule magnets based on AC magnetic susceptibility measurements on microcrystalline and dilute frozen solution samples. In chapter 3 more detailed magnetic studies are reported for one complex from the Mn4 family of molecules-[ Mn4O3Cl(O2CCH3)3(dbm)3], where dbm is dibenzoylmethane. It is shown that this Mn4 complex exhibits resonant magnetization tunneling based on the observation of steps on magnetic hysteresis loops, ac magnetic susceptibility studies and the observation of a temperature-independent rate of magnetization relaxation below 0.6 K. In chapters 4 through 6 the syntheses and magnetization studies of several new Mn12 molecules with general composition [ Mn12O12(O2CR)16(H2O)4] are reported. From ac susceptibility measurements it is shown that some of these complexes exhibit much faster magnetic relaxation than others. Also, steps are observed at constant intervals of field on the magnetization hysteresis loops collected on some of these Mn12 complexes. This is evidence of field-tuned resonant magnetization tunneling.

  20. MHD Integrated Topping Cycle Project

    SciTech Connect

    Not Available

    1992-07-01

    This seventeenth quarterly technical progress report of the MHD Integrated Topping Cycle Project presents the accomplishments during the period August 1, 1991 to October 31, 1991. Manufacturing of the prototypical combustor pressure shell has been completed including leak, proof, and assembly fit checking. Manufacturing of forty-five cooling panels was also completed including leak, proof, and flow testing. All precombustor internal components (combustion can baffle and swirl box) were received and checked, and integration of the components was initiated. A decision was made regarding the primary and backup designs for the 1A4 channel. The assembly of the channel related prototypical hardware continued. The cathode wall electrical wiring is now complete. The mechanical design of the diffuser has been completed.

  1. Topping up experiments at SRRC

    SciTech Connect

    Ueng, T.S.; Hsu, K.T.; Chen, J.; Lin, K.K.; Weng, W.T. |

    1996-10-01

    In an operation of a synchrotron radiation facility, it is very desirable to be able to provide beam with almost constant intensity. This has considerable advantage in terms of calibration and normalization of detectors, heat load of optical components,and the duration of data taking time. To achieve that goal, the topping up mode injection has been tested at SRRC. The experiment was performed to fill automatically the stored beam current up to 200 mA whenever it was decreased to a present low limit value. The following items were examined: reproducibility of the bunch train structure of the injected beam, stability of the storage ring pulsed injection magnets, injection startup and bucket address system. Effects on the stored beam stability will be studied and methods to minimize disruption to research program during injection time will be investigated.

  2. Top-Down and Free

    NASA Astrophysics Data System (ADS)

    Schillaci, Michael

    2007-11-01

    The ``Top-Down Physics'' (TDP) project is aimed at unifying material traditionally covered in Classical Mechanics, and Electricity & Magnetism, as well as elements of Quantum Mechanics and Statistical Dynamics at the undergraduate level. The main computational platforms for the student projects have been LaTeX, MAPLE and JAVA. Relevant theoretic, algorithmic and technical (software) elements are introduced as needed to simulate laboratory-style experiments carried out in class. Ideally, solutions developed by ``senior'' students can be ``beta- tested'' during classroom and laboratory demonstrations to lower- level students. In this way, the curriculum naturally ``folds'' onto itself. Current efforts include the use of the Open Source Physics and Maxima to develop a platform-independent (and free) framework for the TDP framework.

  3. Enhanced positron annihilation in small gaseous hydrocarbons: Threshold effects from symmetric C-H bond deformations

    SciTech Connect

    Nishimura, Tamio; Gianturco, Franco A.

    2005-08-15

    The present results report a computational analysis of the effects of symmetric bond stretching during positron scattering from polyatomic hydrocarbon molecules in the gas phase. The collisions are considered at very low energies where the behavior of the s-wave scattering length can be analyzed and where signatures of virtual state formation appear for all the three systems considered (C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}). Furthermore, the present calculations show that the stretching of the CH bonds in all molecules causes the moving of the existing virtual state closer to threshold and further makes it become a bound state whenever highly distorted molecules are involved. The effects of these changes are further seen to cause a marked enhancing of the corresponding annihilation parameters Z{sub eff} at low collision energies, in line with what is experimentally observed for such gases. The significance of such model calculations is discussed in some detail.

  4. A parity-time symmetric coherent plasmonic absorber-amplifier

    SciTech Connect

    Baum, Brian Dionne, Jennifer; Alaeian, Hadiseh

    2015-02-14

    Non-Hermitian parity-time (PT)-symmetric optical potentials have led to a new class of unidirectional photonic components based on the spatially symmetric and balanced inclusion of loss and gain. While most proposed and implemented PT-symmetric optical devices have wavelength-scale dimensions, no physical constraints preclude development of subwavelength PT-symmetric components. We theoretically demonstrate a nanoscale PT-symmetric, all-optical plasmonic modulator capable of phase-controlled amplification and directional absorption. The modulator consists of two deeply subwavelength channels composed of either gain or loss dielectric material, embedded in a metallic cladding. When illuminating on-resonance by two counter-propagating plane waves, the aperture's total output can be modulated by changing the phase offset between the two waves. Modulation depths are greater than 10 dB, with output power varying from less than one half of the incident power to more than six times amplification. Off-resonance, the aperture possesses strong phase-controlled directionality with the output from one side varying from perfect absorption to strong scattering and transmission. The device design provides a platform for nanoscale all-optical modulators with gain while potentially enabling coherent perfect absorption and lasing in a single, compact structure.

  5. Stationary axially symmetric solutions in Brans-Dicke theory

    NASA Astrophysics Data System (ADS)

    Kirezli, P?nar; Delice, zgr

    2015-11-01

    Stationary, axially symmetric Brans-Dicke-Maxwell solutions are reexamined in the framework of the Brans-Dicke (BD) theory. We see that, employing a particular parametrization of the standard axially symmetric metric simplifies the procedure of obtaining the Ernst equations for axially symmetric electrovacuum spacetimes for this theory. This analysis also permits us to construct a two parameter extension in both Jordan and Einstein frames of an old solution generating technique frequently used to construct axially symmetric solutions for BD theory from a seed solution of general relativity. As applications of this technique, several known and new solutions are constructed including a general axially symmetric BD-Maxwell solution of Plebanski-Demianski with vanishing cosmological constant, i.e., the Kinnersley solution and general magnetized Kerr-Newman-type solutions. Some physical properties and the circular motion of test particles for a particular subclass of Kinnersley solution, i.e., a Kerr-Newman-NUT-type solution for BD theory, are also investigated in some detail.

  6. PT -symmetric Hamiltonians and their application in quantum information

    NASA Astrophysics Data System (ADS)

    Croke, Sarah

    2015-05-01

    We discuss the prospect of PT -symmetric Hamiltonians finding applications in quantum information science, and conclude that such evolution is unlikely to provide any benefit over existing techniques. Although it has been known for some time that PT -symmetric quantum theory, when viewed as a unitary theory, is exactly equivalent to standard quantum mechanics, proposals continue to be put forward for schemes in which PT -symmetric quantum theory can outperform standard quantum theory. The most recent of these is the suggestion to use PT -symmetric Hamiltonians to perform an exponentially fast database search, a task known to be impossible with a quantum computer. Further, such a scheme has been shown to apparently produce effects in conflict with fundamental information-theoretic principles, such as the impossibility of superluminal information transfer, and the invariance of entanglement under local operations. In this paper we propose three inequivalent experimental implementations of PT -symmetric Hamiltonians, with careful attention to the resources required to realize each such evolution. Such an operational approach allows us to resolve these apparent conflicts, and evaluate fully schemes proposed in the literature for faster time evolution and state discrimination.

  7. SymmRef: a Flexible Refinement Method for Symmetric Multimers

    PubMed Central

    Mashiach-Farkash, Efrat; Nussinov, Ruth; Wolfson, Haim J.

    2011-01-01

    Symmetric protein complexes are abundant in the living cell. Predicting their atomic structure can shed light on the mechanism of many important biological processes. Symmetric docking methods aim to predict the structure of these complexes given the unbound structure of a single monomer, or its model. Symmetry constraints reduce the search-space of these methods and make the prediction easier compared to asymmetric protein-protein docking. However the challenge of modeling the conformational changes that the monomer might undergo is a major obstacle. In this paper we present SymmRef, a novel method for refinement and re-ranking of symmetric docking solutions. The method models backbone and side-chain movements and optimizes the rigid-body orientations of the monomers. The backbone movements are modeled by normal modes minimization and the conformations of the side-chains are modeled by selecting optimal rotamers. Since solved structures of symmetric multimers show asymmetric side-chain conformations, we do not use symmetry constraints in the side-chain optimization procedure. The refined models are re-ranked according to an energy score. We tested the method on a benchmark of unbound docking challenges. The results show that the method significantly improves the accuracy and the ranking of symmetric rigid docking solutions. SymmRef is available for download at http://bioinfo3d.cs.tau.ac.il/SymmRef/download.html. PMID:21721046

  8. Synthetic symmetrization in the crystallization and structure determination of CelA from Thermotoga maritima

    PubMed Central

    Forse, G Jason; Ram, Nina; Banatao, D Rey; Cascio, Duilio; Sawaya, Michael R; Klock, Heath E; Lesley, Scott A; Yeates, Todd O

    2011-01-01

    Protein crystallization continues to be a major bottleneck in X-ray crystallography. Previous studies suggest that symmetric proteins, such as homodimers, might crystallize more readily than monomeric proteins or asymmetric complexes. Proteins that are naturally monomeric can be made homodimeric artificially. Our approach is to create homodimeric proteins by introducing single cysteines into the protein of interest, which are then oxidized to form a disulfide bond between the two monomers. By introducing the single cysteine at different sequence positions, one can produce a variety of synthetically dimerized versions of a protein, with each construct expected to exhibit its own crystallization behavior. In earlier work, we demonstrated the potential utility of the approach using T4 lysozyme as a model system. Here we report the successful application of the method to Thermotoga maritima CelA, a thermophilic endoglucanase enzyme with low sequence identity to proteins with structures previously reported in the Protein Data Bank. This protein had resisted crystallization in its natural monomeric form, despite a broad survey of crystallization conditions. The synthetic dimerization of the CelA mutant D188C yielded well-diffracting crystals with molecules in a packing arrangement that would not have occurred with native, monomeric CelA. A 2.4 crystal structure was determined by single anomalous dispersion using a seleno-methionine derivatized protein. The results support the notion that synthetic symmetrization can be a useful approach for enlarging the search space for crystallizing monomeric proteins or asymmetric complexes. PMID:21082721

  9. A Symmetrical Tetramer for S. aureus Pyruvate Carboxylase in Complex with Coenzyme A

    SciTech Connect

    Yu, L.; Xiang, S; Lasso, G; Gil, D; Valle, M; Tong, L

    2009-01-01

    Pyruvate carboxylase (PC) is a conserved metabolic enzyme with important cellular functions. We report crystallographic and cryo-electron microscopy (EM) studies of Staphylococcus aureus PC (SaPC) in complex with acetyl-CoA, an allosteric activator, and mutagenesis, biochemical, and structural studies of the biotin binding site of its carboxyltransferase (CT) domain. The disease-causing A610T mutation abolishes catalytic activity by blocking biotin binding to the CT active site, and Thr908 might play a catalytic role in the CT reaction. The crystal structure of SaPC in complex with CoA reveals a symmetrical tetramer, with one CoA molecule bound to each monomer, and cryo-EM studies confirm the symmetrical nature of the tetramer. These observations are in sharp contrast to the highly asymmetrical tetramer of Rhizobium etli PC in complex with ethyl-CoA. Our structural information suggests that acetyl-CoA promotes a conformation for the dimer of the biotin carboxylase domain of PC that might be catalytically more competent.

  10. Adhesion molecules and transplantation.

    PubMed Central

    Heemann, U W; Tullius, S G; Azuma, H; Kupiec-Weglinsky, J; Tilney, N L

    1994-01-01

    OBJECTIVE: Accessory adhesion molecules are thought to influence the first interaction between host leukocytes and graft vascular endothelial cells. Their role in transplantation is reviewed. SUMMARY: Adhesion molecules have been divided into three major families: the selectins, the integrins, and the immunoglobulin superfamily. Selectins are small proteins that mediate the first contact between stimulated endothelial cells and leukocytes. Integrins interact with cytoskeletal components of cells, presumably coordinating extracellular stimuli with cytoskeleton dependent actions, such as motility, shape change, and phagocytic responses. Members of the immunoglobulin superfamily are structurally homologous, although they do not necessarily share similar functions. They are involved in T-cell proliferation and intracellular events. METHODS: Various groups of investigators have studied the influence and expression of adhesion molecules following transplantation. The authors of this article have reviewed and summarized the available literature. RESULTS: Many different adhesion molecules are up-regulated during the rejection event. Treatment of transplant recipients with monoclonal antibodies against accessory molecules, such as leukocyte function associated antigen 1 (LFA-1) and intercellular adhesion molecule 1 (ICAM-1), has resulted in either a prolongation of transplant survival or the induction of tolerance in some models. Other interventions are under study. CONCLUSION: By mediating the initial leukocyte/endothelial cell interactions, adhesion molecules may play an important role in graft rejection, mediation of infiltration into the graft, and dissemination of the antigenic message to the lymphoid tissues of the host. Future studies will have to deal not only with conceptualizing their function and mechanisms of action, but also with manipulating their interrelationships to the benefit of the graft recipient. PMID:8297174

  11. Structure and Flexibility of Nanoscale Protein Cages Designed by Symmetric Self-Assembly

    PubMed Central

    Lai, Yen-Ting; Tsai, Kuang-Lei; Sawaya, Michael R.; Asturias, Francisco J.

    2013-01-01

    Designing protein molecules that self-assemble into complex architectures is an outstanding goal in the area of nanobiotechnology. One design strategy for doing this involves genetically fusing together two natural proteins, each of which is known to form a simple oligomer on its own (e.g. a dimer or trimer). If two such components can be fused in a geometrically predefined configuration, that designed subunit can, in principle, assemble into highly symmetric architectures. Initial experiments showed that a 12-subunit tetrahedral cage, 16 nm in diameter, could be constructed following such a procedure.1,2 Here we characterize multiple crystal structures of protein cages constructed in this way, including cages assembled from two mutant forms of the same basic protein subunit. The flexibilities of the designed assemblies and their deviations from the target model are described, along with implications for further design developments. PMID:23621606

  12. Symmetrical and unsymmetrical alpha,omega-nucleobase amide-conjugated systems.

    PubMed

    Boncel, S?awomir; Maczka, Maciej; Koziol, Krzysztof K K; Motyka, Rados?aw; Walczak, Krzysztof Z

    2010-01-01

    We present the synthesis and selected physicochemical properties of several novel symmetrical and unsymmetrical alpha,omega-nucleobase mono- and bis-amide conjugated systems containing aliphatic, aromatic or saccharidic linkages. The final stage of the synthesis involves condensation of a subunit bearing carboxylic group with an amine subunit. 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride (DMT-MM) was found to be a particularly effective condensing agent. The subunits containing carboxylic groups were obtained by acidic hydrolysis of N-1 Michael adducts of uracils or N-9 Michael adducts of 6-chloropurine with methyl acrylate. The amines used were aliphatic/aromatic diamines, adenine, 5-substituted 1-(?-aminoalkyl)uracils and 5'-amino-2',5'-dideoxythymidine. The title compounds may find application as antiprotozoal agents. Moreover, preliminary microscopy TEM studies of supramolecular behaviour showed that target molecules with bolaamphiphilic structures were capable of forming highly ordered assemblies, mainly nanofibres. PMID:20502605

  13. The E3 Ubiquitin-Ligase Bmi1/Ring1A Controls the Proteasomal Degradation of Top2? Cleavage Complex A Potentially New Drug Target

    PubMed Central

    Alchanati, Iris; Teicher, Carmit; Cohen, Galit; Shemesh, Vivian; Barr, Haim M.; Nakache, Philippe; Ben-Avraham, Danny; Idelevich, Anna; Angel, Itzchak; Livnah, Nurit; Tuvia, Shmuel; Reiss, Yuval; Taglicht, Daniel; Erez, Omri

    2009-01-01

    Background The topoisomerases Top1, Top2? and Top2? are important molecular targets for antitumor drugs, which specifically poison Top1 or Top2 isomers. While it was previously demonstrated that poisoned Top1 and Top2? are subject to proteasomal degradation, this phenomena was not demonstrated for Top2?. Methodology/Principal Findings We show here that Top2? is subject to drug induced proteasomal degradation as well, although at a lower rate than Top2?. Using an siRNA screen we identified Bmi1 and Ring1A as subunits of an E3 ubiquitin ligase involved in this process. We show that silencing of Bmi1 inhibits drug-induced Top2? degradation, increases the persistence of Top2?-DNA cleavage complex, and increases Top2 drug efficacy. The Bmi1/Ring1A ligase ubiquitinates Top2? in-vitro and cellular overexpression of Bmi1 increases drug induced Top2? ubiquitination. A small-molecular weight compound, identified in a screen for inhibitors of Bmi1/Ring1A ubiquitination activity, also prevents Top2? ubiquitination and drug-induced Top2? degradation. This ubiquitination inhibitor increases the efficacy of topoisomerase 2 poisons in a synergistic manner. Conclusions/Significance The discovery that poisoned Top2? is undergoing proteasomal degradation combined with the involvement of Bmi1/Ring1A, allowed us to identify a small molecule that inhibits the degradation process. The Bmi1/Ring1A inhibitor sensitizes cells to Top2 drugs, suggesting that this type of drug combination will have a beneficial therapeutic outcome. As Bmi1 is also a known oncogene, elevated in numerous types of cancer, the identified Bmi1/Ring1A ubiquitin ligase inhibitors can also be potentially used to directly target the oncogenic properties of Bmi1. PMID:19956605

  14. Harmonic gyrotrons operating in high-order symmetric modes

    SciTech Connect

    Nusinovich, Gregory S.; Kashyn, Dmytro G.; Antonsen, T. M.

    2015-01-05

    It is shown that gyrotrons operating at cyclotron harmonics can be designed for operation in symmetric TE{sub 0,p}-modes. Such operation in fundamental harmonic gyrotrons is possible only at small radial indices (p≤3) because of the severe mode competition with TE{sub 2,p}-modes, which are equally coupled to annular beams as the symmetric modes. At cyclotron harmonics, however, this “degeneracy” of coupling is absent, and there is a region in the parameter space where harmonic gyrotrons can steadily operate in symmetric modes. This fact is especially important for sub-THz and THz-range gyrotrons where ohmic losses limit the power achievable in continuous-wave and high duty cycle regimes.

  15. Size-independent symmetric division in extraordinarily long cells

    PubMed Central

    Pende, Nika; Leisch, Nikolaus; Gruber-Vodicka, Harald R.; Heindl, Niels R.; Ott, Jrg; den Blaauwen, Tanneke; Bulgheresi, Silvia

    2014-01-01

    Two long-standing paradigms in biology are that cells belonging to the same population exhibit little deviation from their average size and that symmetric cell division is size limited. Here, ultrastructural, morphometric and immunocytochemical analyses reveal that two Gammaproteobacteria attached to the cuticle of the marine nematodes Eubostrichus fertilis and E. dianeae reproduce by constricting a single FtsZ ring at midcell despite being 45??m and 120??m long, respectively. In the crescent-shaped bacteria coating E. fertilis, symmetric FtsZ-based fission occurs in cells with lengths spanning one order of magnitude. In the E. dianeae symbiont, formation of a single functional FtsZ ring makes this the longest unicellular organism in which symmetric division has ever been observed. In conclusion, the reproduction modes of two extraordinarily long bacterial cells indicate that size is not the primary trigger of division and that yet unknown mechanisms time the localization of both DNA and the septum. PMID:25221974

  16. Optomechanically-induced transparency in parity-time-symmetric microresonators

    PubMed Central

    Jing, H.; zdemir, ?ahin K.; Geng, Z.; Zhang, Jing; L, Xin-You; Peng, Bo; Yang, Lan; Nori, Franco

    2015-01-01

    Optomechanically-induced transparency (OMIT) and the associated slowing of light provide the basis for storing photons in nanoscale devices. Here we study OMIT in parity-time (PT)-symmetric microresonators with a tunable gain-to-loss ratio. This system features a sideband-reversed, non-amplifying transparency , i.e., an inverted-OMIT. When the gain-to-loss ratio is varied, the system exhibits a transition from a PT-symmetric phase to a broken-PT-symmetric phase. This PT-phase transition results in the reversal of the pump and gain dependence of the transmission rates. Moreover, we show that by tuning the pump power at a fixed gain-to-loss ratio, or the gain-to-loss ratio at a fixed pump power, one can switch from slow to fast light and vice versa. These findings provide new tools for controlling light propagation using nanofabricated phononic devices. PMID:26169253

  17. Accessing the exceptional points of parity-time symmetric acoustics.

    PubMed

    Shi, Chengzhi; Dubois, Marc; Chen, Yun; Cheng, Lei; Ramezani, Hamidreza; Wang, Yuan; Zhang, Xiang

    2016-01-01

    Parity-time (PT) symmetric systems experience phase transition between PT exact and broken phases at exceptional point. These PT phase transitions contribute significantly to the design of single mode lasers, coherent perfect absorbers, isolators, and diodes. However, such exceptional points are extremely difficult to access in practice because of the dispersive behaviour of most loss and gain materials required in PT symmetric systems. Here we introduce a method to systematically tame these exceptional points and control PT phases. Our experimental demonstration hinges on an active acoustic element that realizes a complex-valued potential and simultaneously controls the multiple interference in the structure. The manipulation of exceptional points offers new routes to broaden applications for PT symmetric physics in acoustics, optics, microwaves and electronics, which are essential for sensing, communication and imaging. PMID:27025443

  18. Canonical distributions on Riemannian homogeneous k-symmetric spaces

    NASA Astrophysics Data System (ADS)

    Balashchenko, Vitaly V.

    2015-01-01

    It is known that distributions generated by almost product structures are applicable, in particular, to some problems in the theory of Monge-Ampre equations. In this paper, we characterize canonical distributions defined by canonical almost product structures on Riemannian homogeneous k-symmetric spaces in the sense of types AF (anti-foliation), F (foliation), TGF (totally geodesic foliation). Algebraic criteria for all these types on k-symmetric spaces of orders k = 4, 5, 6 were obtained. Note that canonical distributions on homogeneous k-symmetric spaces are closely related to special canonical almost complex structures and f-structures, which were recently applied by I. Khemar to studying elliptic integrable systems.

  19. Lift generation by a two-dimensional symmetric flapping wing

    NASA Astrophysics Data System (ADS)

    Inamuro, Takaji; Ota, Keigo; Suzuki, Kosuke

    2010-11-01

    Two-dimensional symmetric flapping flight is investigated by an immersed boundary-lattice Boltzmann method. In the method we can treat the moving boundary problem efficiently on the Cartesian grid. First, we investigate the effect of the Reynolds number on flows around symmetric flapping wings under no-gravity field and find that at high Reynolds numbers asymmetric vortices are appeared and the time-averaged lift force is induced on the wings, while at low Reynolds numbers only symmetric vortices are appeared around the wings and no lift force is induced. Also, the effect of the initial position of the wings on the lift force is investigated. Secondly, we carry out free flight simulations under gravity field for various Reynolds and Froude numbers and find the region where upward flights are possible.

  20. Reciprocal and unidirectional scattering of parity-time symmetric structures.

    PubMed

    Jin, L; Zhang, X Z; Zhang, G; Song, Z

    2016-01-01

    Parity-time symmetry is of great interest. The reciprocal and unidirectional features are intriguing besides the symmetry phase transition. Recently, the reciprocal transmission, unidirectional reflectionless and invisibility are intensively studied. Here, we show the reciprocal reflection/transmission in -symmetric system is closely related to the type of symmetry, that is, the axial (reflection) symmetry leads to reciprocal reflection (transmission). The results are further elucidated by studying the scattering of rhombic ring form coupled resonators with enclosed synthetic magnetic flux. The nonreciprocal phase shift induced by the magnetic flux and gain/loss break the parity and time-reversal symmetry but keep the parity-time symmetry. The reciprocal reflection (transmission) and unidirectional transmission (reflection) are found in the axial (reflection) -symmetric ring centre. The explorations of symmetry and asymmetry from symmetry may shed light on novel one-way optical devices and application of -symmetric metamaterials. PMID:26876806

  1. Optomechanically-induced transparency in parity-time-symmetric microresonators.

    PubMed

    Jing, H; zdemir, ?ahin K; Geng, Z; Zhang, Jing; L, Xin-You; Peng, Bo; Yang, Lan; Nori, Franco

    2015-01-01

    Optomechanically-induced transparency (OMIT) and the associated slowing of light provide the basis for storing photons in nanoscale devices. Here we study OMIT in parity-time (PT)-symmetric microresonators with a tunable gain-to-loss ratio. This system features a sideband-reversed, non-amplifying transparency, i.e., an inverted-OMIT. When the gain-to-loss ratio is varied, the system exhibits a transition from a PT-symmetric phase to a broken-PT-symmetric phase. This PT-phase transition results in the reversal of the pump and gain dependence of the transmission rates. Moreover, we show that by tuning the pump power at a fixed gain-to-loss ratio, or the gain-to-loss ratio at a fixed pump power, one can switch from slow to fast light and vice versa. These findings provide new tools for controlling light propagation using nanofabricated phononic devices. PMID:26169253

  2. Integrability and Vesture for Axially Symmetric Harmonic Maps

    NASA Astrophysics Data System (ADS)

    Beheshti, Shabnam; Tahvildar-Zadeh, Shadi

    2015-01-01

    We investigate the interrelationship between integrability, inverse-scattering (ISM), and vesture for harmonic maps into symmetric spaces. Motivated by the application of ISM to the Einstein Equations in the case of stationary, axisymmetric metrics, we show that the equations for an axially symmetric harmonic map of R3 into a symmetric space G/K are completely integrable. Furthermore, new solutions for these equations can be generated starting from a given seed solution. As an application to General Relativity, we consider the problem of finding N-solitonic harmonic maps into the noncompact Grassmann manifolds SU(p, q)/S(U(p) U(q)) and find it is completely reducible via dressing to a problem in linear algebra. We indicate directions for further investigation.

  3. Plane symmetric thin-shell wormholes: Solutions and stability

    SciTech Connect

    Lemos, Jose P. S.; Lobo, Francisco S. N.

    2008-08-15

    Using the cut-and-paste procedure, we construct static and dynamic, plane symmetric wormholes by surgically grafting together two spacetimes of plane symmetric vacuum solutions with a negative cosmological constant. These plane symmetric wormholes can be interpreted as domain walls connecting different universes, having planar topology, and upon compactification of one or two coordinates, cylindrical topology or toroidal topology, respectively. A stability analysis is carried out for the dynamic case by taking into account specific equations of state, and a linearized stability analysis around static solutions is also explored. It is found that thin-shell wormholes made of a dark energy fluid or of a cosmological constant fluid are stable, while thin-shell wormholes made of phantom energy are unstable.

  4. Strong localization of photonics in symmetric Fibonacci superlattices

    NASA Astrophysics Data System (ADS)

    Cheng, Y. H.; Tsao, C. W.; Chen, C. H.; Hsueh, W. J.

    2015-07-01

    Strong localization from the Fabry-Prot-like resonances that occur in symmetric Fibonacci superlattices is presented in this study. When compared with traditional Fabry-Prot resonators, in symmetric Fibonacci superlattices, the middle space is a variant rather than an invariant half-wavelength thickness for each resonance with different orders. In addition, the electric fields of the resonances may be located on both sides of the space layer in the superlattice, which is in contrast to those in a traditional Fabry-Prot resonator. The electric field of the resonances is strongly localized as the generation order increases. Moreover, the group delays of these peaks increase with generation order. More strongly localized modes can be found from the symmetric Fibonacci superlattices than from the traditional Fabry-Prot resonators, which makes the proposed structure an attractive alternative to a wide variety of optoelectronic devices.

  5. Reciprocal and unidirectional scattering of parity-time symmetric structures

    PubMed Central

    Jin, L.; Zhang, X. Z.; Zhang, G.; Song, Z.

    2016-01-01

    Parity-time symmetry is of great interest. The reciprocal and unidirectional features are intriguing besides the symmetry phase transition. Recently, the reciprocal transmission, unidirectional reflectionless and invisibility are intensively studied. Here, we show the reciprocal reflection/transmission in -symmetric system is closely related to the type of symmetry, that is, the axial (reflection) symmetry leads to reciprocal reflection (transmission). The results are further elucidated by studying the scattering of rhombic ring form coupled resonators with enclosed synthetic magnetic flux. The nonreciprocal phase shift induced by the magnetic flux and gain/loss break the parity and time-reversal symmetry but keep the parity-time symmetry. The reciprocal reflection (transmission) and unidirectional transmission (reflection) are found in the axial (reflection) -symmetric ring centre. The explorations of symmetry and asymmetry from symmetry may shed light on novel one-way optical devices and application of -symmetric metamaterials. PMID:26876806

  6. Staggered parity-time-symmetric ladders with cubic nonlinearity

    NASA Astrophysics Data System (ADS)

    D'Ambroise, Jennie; Kevrekidis, P. G.; Malomed, Boris A.

    2015-03-01

    We introduce a ladder-shaped chain with each rung carrying a parity-time- (PT -) symmetric gain-loss dimer. The polarity of the dimers is staggered along the chain, meaning alternation of gain-loss and loss-gain rungs. This structure, which can be implemented as an optical waveguide array, is the simplest one which renders the system PT -symmetric in both horizontal and vertical directions. The system is governed by a pair of linearly coupled discrete nonlinear Schrödinger equations with self-focusing or defocusing cubic onsite nonlinearity. Starting from the analytically tractable anticontinuum limit of uncoupled rungs and using the Newton's method for continuation of the solutions with the increase of the inter-rung coupling, we construct families of PT -symmetric discrete solitons and identify their stability regions. Waveforms stemming from a single excited rung and double ones are identified. Dynamics of unstable solitons is investigated too.

  7. Staggered parity-time-symmetric ladders with cubic nonlinearity.

    PubMed

    D'Ambroise, Jennie; Kevrekidis, P G; Malomed, Boris A

    2015-03-01

    We introduce a ladder-shaped chain with each rung carrying a parity-time- (PT-) symmetric gain-loss dimer. The polarity of the dimers is staggered along the chain, meaning alternation of gain-loss and loss-gain rungs. This structure, which can be implemented as an optical waveguide array, is the simplest one which renders the system PT-symmetric in both horizontal and vertical directions. The system is governed by a pair of linearly coupled discrete nonlinear Schrödinger equations with self-focusing or defocusing cubic onsite nonlinearity. Starting from the analytically tractable anticontinuum limit of uncoupled rungs and using the Newton's method for continuation of the solutions with the increase of the inter-rung coupling, we construct families of PT-symmetric discrete solitons and identify their stability regions. Waveforms stemming from a single excited rung and double ones are identified. Dynamics of unstable solitons is investigated too. PMID:25871238

  8. Non-symmetric pincer ligands: complexes and applications in catalysis.

    PubMed

    Asay, Matthew; Morales-Morales, David

    2015-10-28

    Pincer ligands have become ubiquitous in organometallic chemistry and homogeneous catalysis. Recently, new varieties of pincer ligands with non-symmetrical backbones and/or ligating groups have been reported and their application in transition metal complexes has been exploited in a variety of catalytic transformations. This non-symmetric approach vastly increases the structural and electronic diversity of this class of ligand. This approach has proven beneficial in a variety of ways, such as the use of a single weakly coordinating moiety, which can dissociate and thereby create a vacant coordination site to increase the catalyst activity. Additionally, this provides further access to chiral ligands and complexes for asymmetric induction. This perspective highlights recent, important examples of non-symmetric pincer ligands, which feature aryl or pyridine backbones, and the synthesis and use of subsequent complexes in catalytic transformations, and discusses the future potential of this type of ligand system. PMID:26396037

  9. The significance of the heavy top quark

    NASA Astrophysics Data System (ADS)

    Simmons, Elizabeth H.

    1997-06-01

    Experiment shows that the top quark is far heavier than the other elementary fermions. This finding has stimulated research on theories of electroweak and flavor symmetry breaking that include physics beyond the standard model. Efforts to accommodate a heavy top quark within existing frameworks have revealed constraints on model-building. Other investigations have started from the premise that a large top quark mass could signal a qualitative difference between the top quark and other fermions, perhaps in the form of new interactions peculiar to the top quark. Such new dynamics may also help answer existing questions about electroweak and flavor physics. This talk explores the implications of the heavy top quark in the context of weakly-coupled (e.g., SUSY) and strongly-coupled (e.g., technicolor) theories of electroweak symmetry breaking.

  10. Boat Deck, Cabin Deck, Bridge Deck, Flat House Top, Stage ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Boat Deck, Cabin Deck, Bridge Deck, Flat House Top, Stage Top, Mast House Top, Upper Deck, Flat House Tops, Forecastle Deck, Main Deck - American Racer, Suisun Bay Reserve Fleet, Benicia, Solano County, CA

  11. Top quark physics at the Tevatron

    SciTech Connect

    D. Gerdes

    2004-01-28

    Precision studies of the top quark are a prime goal of the Run II physics program at the Fermilab Tevatron. Since the start of Run II in early 2002, the CDF and D0 experiments have analyzed approximately 100 pb{sup -1} of data and have re-established the top quark signal. In this article the author summarizes recent measurements of the top production cross section and mass.

  12. TOP500 Supercomputers for November 2004

    SciTech Connect

    Strohmaier, Erich; Meuer, Hans W.; Dongarra, Jack; Simon, Horst D.

    2004-11-08

    24th Edition of TOP500 List of World's Fastest Supercomputers Released: DOE/IBM BlueGene/L and NASA/SGI's Columbia gain Top Positions MANNHEIM, Germany; KNOXVILLE, Tenn.; BERKELEY, Calif. In what has become a closely watched event in the world of high-performance computing, the 24th edition of the TOP500 list of the worlds fastest supercomputers was released today (November 8, 2004) at the SC2004 Conference in Pittsburgh, Pa.

  13. TOP500 Supercomputers for June 2005

    SciTech Connect

    Strohmaier, Erich; Meuer, Hans W.; Dongarra, Jack; Simon, Horst D.

    2005-06-22

    25th Edition of TOP500 List of World's Fastest Supercomputers Released: DOE/L LNL BlueGene/L and IBM gain Top Positions MANNHEIM, Germany; KNOXVILLE, Tenn.; BERKELEY, Calif. In what has become a closely watched event in the world of high-performance computing, the 25th edition of the TOP500 list of the world's fastest supercomputers was released today (June 22, 2005) at the 20th International Supercomputing Conference (ISC2005) in Heidelberg Germany.

  14. TOP500 Supercomputers for June 2004

    SciTech Connect

    Strohmaier, Erich; Meuer, Hans W.; Dongarra, Jack; Simon, Horst D.

    2004-06-23

    23rd Edition of TOP500 List of World's Fastest Supercomputers Released: Japan's Earth Simulator Enters Third Year in Top Position MANNHEIM, Germany; KNOXVILLE, Tenn.;&BERKELEY, Calif. In what has become a closely watched event in the world of high-performance computing, the 23rd edition of the TOP500 list of the world's fastest supercomputers was released today (June 23, 2004) at the International Supercomputer Conference in Heidelberg, Germany.

  15. Top quark mass: past, present and future

    SciTech Connect

    Gutierrez, Gaston; /Fermilab

    2007-07-01

    The top quark is the most massive elementary particle discovered thus far. Its large mass may help explain the mechanism by which fundamental particles gain mass - the Standard Model's greatest standing mystery. Today the top quark mass, together with the W boson mass, plays an important role in constraining the Higgs boson mass. The current status of the top quark mass measurement and a brief outline of the expectation at the Large Hadron Collider and the International Linear Collider will be covered.

  16. MOLECULES IN {eta} CARINAE

    SciTech Connect

    Loinard, Laurent; Menten, Karl M.; Guesten, Rolf; Zapata, Luis A.; Rodriguez, Luis F.

    2012-04-10

    We report the detection toward {eta} Carinae of six new molecules, CO, CN, HCO{sup +}, HCN, HNC, and N{sub 2}H{sup +}, and of two of their less abundant isotopic counterparts, {sup 13}CO and H{sup 13}CN. The line profiles are moderately broad ({approx}100 km s{sup -1}), indicating that the emission originates in the dense, possibly clumpy, central arcsecond of the Homunculus Nebula. Contrary to previous claims, CO and HCO{sup +} do not appear to be underabundant in {eta} Carinae. On the other hand, molecules containing nitrogen or the {sup 13}C isotope of carbon are overabundant by about one order of magnitude. This demonstrates that, together with the dust responsible for the dimming of {eta} Carinae following the Great Eruption, the molecules detected here must have formed in situ out of CNO-processed stellar material.

  17. Positronium ions and molecules

    NASA Technical Reports Server (NTRS)

    Ho, Y. K.

    1990-01-01

    Recent theoretical studies on positronium ions and molecules are discussed. A positronium ion is a three particle system consisting of two electrons in singlet spin state, and a positron. Recent studies include calculations of its binding energy, positron annihilation rate, and investigations of its doubly excited resonant states. A positronium molecule is a four body system consisting of two positrons and two electrons in an overall singlet spin state. The recent calculations of its binding energy against the dissociation into two positronium atoms, and studies of auto-detaching states in positronium molecules are discussed. These auto-dissociating states, which are believed to be part of the Rydberg series as a result of a positron attaching to a negatively charged positronium ion, Ps-, would appear as resonances in Ps-Ps scattering.

  18. Photochemistry of interstellar molecules

    NASA Technical Reports Server (NTRS)

    Stief, L. J.

    1971-01-01

    The photochemistry of two diatomic and eight polyatomic molecules is discussed quantitatively. For an interstellar molecule, the lifetime against photodecomposition depends upon the absorption cross section, the quantum yield or probability of dissociation following photon absorption, and the interstellar radiation field. The constant energy density of Habing is used for the unobserved regions of interstellar radiation field, and the field in obscuring clouds is estimated by combining the constant flux with the observed interstellar extinction curve covering the visible and ultraviolet regions. Lifetimes against photodecomposition in the unobscured regions and as a function of increasing optical thickness in obscuring clouds are calculated for the ten species. The results show that, except for CO, all the molecules have comparable lifetimes of less than one hundred years. Thus they can exist only in dense clouds and can never have been exposed to the unobscured radiation. The calculations further show that the lifetimes in clouds of moderate opacity are of the order of one million years.

  19. Molecules on ice

    SciTech Connect

    Clary, D.C.

    1996-03-15

    The ozone hole that forms in the spring months over the Antarctic is thought to be produced through a network of chemical reactions catalyzed by the surfaces of ice crystals in polar stratospheric clouds (PSCs). A reaction between chlorine reservoir molecules, such as HCl + ClONO{sub 2} > HNO{sub 3} + Cl{sub 2}, is kinetically forbidden in the gas phase but proceeds quickly on the surface of ice and produces Cl{sub 2} molecules that are photodissociated by sunlight to yield the Cl atoms that destroy ozone. This destructive chain of events begins when HCl molecules stick to the ice crystals, and the mechanism for this crucial sticking process has been the subject of much debate. Recent work describes a mechanism that explains how HCl sticks to ice. This article goes on to detail research focusing surface reactions in stratospheric chemistry. 9 refs., 1 fig.

  20. Local Hamiltonian for spherically symmetric collapse: Geometrodynamics approach

    NASA Astrophysics Data System (ADS)

    Gegenberg, Jack; Kunstatter, Gabor

    2012-04-01

    Recently, a local true (completely gauge fixed) Hamiltonian for spherically symmetric collapse was derived in terms of Ashtekar variables. We show that such a local Hamiltonian follows directly from the geometrodynamics of gravity theories that obey a Birkhoff theorem and possess a mass function that is constant on the constraint surface in vacuum. In addition to clarifying the geometrical content, our approach has the advantage that it can be directly applied to a large class of spherically symmetric and two-dimensional gravity theories, including pth order Lovelock gravity in D dimensions. The resulting expression for the true local Hamiltonian is universal and remarkably simple in form.

  1. Asymmetric intermolecular Pauson-Khand reaction of symmetrically substituted alkynes.

    PubMed

    Ji, Yining; Riera, Antoni; Verdaguer, Xavier

    2009-10-01

    The asymmetric intermolecular Pauson-Khand reaction of symmetric alkynes has been accomplished for the first time. N-Phosphino-p-tolylsulfinamide (PNSO) ligands have been identified as efficient ligands in this process. The chirality of the cobalt S-bonded sulfinyl moiety was found to direct olefin insertion into one of the two possible cobalt-carbon bonds in the alkyne complex. Reaction of symmetric alkynes allows for a simplified experimental protocol since there is no need for separation of diastereomeric complexes. PMID:19739661

  2. Bimodal symmetric fission observed in the heaviest elements

    SciTech Connect

    Hulet, E.K.; Wild, J.F.; Dougan, R.J.; Lougheed, R.W.; Landrum, J.H.; Dougan, A.D.; Schadel, M.; Hahn, R.L.; Baisden, P.A.; Henderson, C.M.

    1986-01-27

    We measured the mass and kinetic-energy partitioning in the spontaneous fission of /sup 258/Fm, /sup 259/Md, /sup 260/Md, /sup 258/No, and /sup 260/(104). All fissioned with mass distributions that were symmetric. Total-kinetic-energy distributions peaked near either 200 or 235 MeV. Surprisingly, these energy distributions were skewed upward or downward from the peak in each case, except for /sup 260/(104), indicating a composite of two energy distributions. We interpret this as a mixture of liquid-drop-like and fragment-shell directed symmetric fission, although theory had not anticipated this phenomenon.

  3. Spatiotemporal localized modes in PT-symmetric optical media

    SciTech Connect

    Wang, Yue-Yue; Dai, Chao-Qing Wang, Xiao-Gang

    2014-09-15

    We firstly obtain spatiotemporal localized mode solutions of a (3+1)-dimensional nonlinear Schrdinger equation in PT-symmetric potentials, and then discuss the linear stability of LMs, which are also tested by means of direct simulations. Moreover, phase switches and transverse power-flow density associated with these localized modes have also been examined. At last, we investigate the dynamical behaviors of spatiotemporal LMs in three kinds of inhomogeneous media. - Highlights: Spatiotemporal LMs of a (3+1)-dimensional NLSE in PT-symmetric potentials are obtained. Phase switches and transverse power-flow density of LM are examined. Dynamical behaviors of LMs in three kinds of inhomogeneous media are studied.

  4. Exactly solvable PT -symmetric models in two dimensions

    NASA Astrophysics Data System (ADS)

    Agarwal, Kaustubh S.; Pathak, Rajeev K.; Joglekar, Yogesh N.

    2015-11-01

    Non-Hermitian, PT -symmetric Hamiltonians, experimentally realized in optical systems, accurately model the properties of open, bosonic systems with balanced, spatially separated gain and loss. We present a family of exactly solvable, two-dimensional, PT potentials for a non-relativistic particle confined in a circular geometry. We show that the PT -symmetry threshold can be tuned by introducing a second gain-loss potential or its Hermitian counterpart. Our results explicitly demonstrate that PT breaking in two dimensions has a rich phase diagram, with multiple re-entrant PT -symmetric phases.

  5. Hydrogen Bond Symmetrization in Glycinium Oxalate under Pressure.

    PubMed

    Bhatt, Himal; Murli, Chitra; Mishra, A K; Verma, Ashok K; Garg, Nandini; Deo, M N; Chitra, R; Sharma, Surinder M

    2016-02-01

    The study of hydrogen bonds near symmetrization limit at high pressures is of importance to understand proton dynamics in complex bio-geological processes. We report here the evidence of hydrogen bond symmetrization in the simplest amino acid-carboxylic acid complex, glycinium oxalate, at moderate pressures of 8 GPa using in-situ infrared and Raman spectroscopic investigations combined with first-principles simulations. The dynamic proton sharing between semioxalate units results in covalent-like infinite oxalate chains. At pressures above 12 GPa, the glycine units systematically reorient with pressure to form hydrogen-bonded supramolecular assemblies held together by these chains. PMID:26730739

  6. A parallel Lanczos method for symmetric generalized eigenvalue problems

    SciTech Connect

    Wu, K.; Simon, H.D.

    1997-12-01

    Lanczos algorithm is a very effective method for finding extreme eigenvalues of symmetric matrices. It requires less arithmetic operations than similar algorithms, such as, the Arnoldi method. In this paper, the authors present their parallel version of the Lanczos method for symmetric generalized eigenvalue problem, PLANSO. PLANSO is based on a sequential package called LANSO which implements the Lanczos algorithm with partial re-orthogonalization. It is portable to all parallel machines that support MPI and easy to interface with most parallel computing packages. Through numerical experiments, they demonstrate that it achieves similar parallel efficiency as PARPACK, but uses considerably less time.

  7. Accretion processes for general spherically symmetric compact objects

    NASA Astrophysics Data System (ADS)

    Bahamonde, Sebastian; Jamil, Mubasher

    2015-10-01

    We investigate the accretion process for different spherically symmetric space-time geometries for a static fluid. We analyze this procedure using the most general black hole metric ansatz. After that, we examine the accretion process for specific spherically symmetric metrics obtaining the velocity of the sound during the process and the critical speed of the flow of the fluid around the black hole. In addition, we study the behavior of the rate of change of the mass for each chosen metric for a barotropic fluid.

  8. Operational entanglement families of symmetric mixed N -qubit states

    NASA Astrophysics Data System (ADS)

    Bastin, T.; Mathonet, P.; Solano, E.

    2015-02-01

    We introduce an operational entanglement classification of symmetric mixed states for an arbitrary number of qubits based on stochastic local operations assisted with classical communication (SLOCC operations). We define families of SLOCC entanglement classes successively embedded into each other, we prove that they are of nonzero measure, and we construct witness operators to distinguish them. Moreover, we discuss how arbitrary symmetric mixed states can be realized in the laboratory via a one-to-one correspondence between well-defined sets of controllable parameters and the corresponding entanglement families.

  9. Thermodynamics of Black Holes and the Symmetric Generalized Uncertainty Principle

    NASA Astrophysics Data System (ADS)

    Dutta, Abhijit; Gangopadhyay, Sunandan

    2016-01-01

    In this paper, we have investigated the thermodynamics of Schwarzschild and Reissner-Nordstrm black holes using the symmetric generalised uncertainty principle which contains correction terms involving momentum and position uncertainty. The mass-temperature relationship and the heat capacity for these black holes have been computed using which the critical and remnant masses have been obtained. The entropy is found to satisfy the area law upto leading order logarithmic corrections and corrections of the form A 2 (which is a new finding in this paper) from the symmetric generalised uncertainty principle.

  10. Bunch-Kaufman factorization for real symmetric indefinite banded matrices

    NASA Technical Reports Server (NTRS)

    Jones, Mark T.; Patrick, Merrell L.

    1989-01-01

    The Bunch-Kaufman algorithm for factoring symmetric indefinite matrices was rejected for banded matrices because it destroys the banded structure of the matrix. Herein, it is shown that for a subclass of real symmetric matrices which arise in solving the generalized eigenvalue problem using Lanczos's method, the Bunch-Kaufman algorithm does not result in major destruction of the bandwidth. Space time complexities of the algorithm are given and used to show that the Bunch-Kaufman algorithm is a significant improvement over LU factorization.

  11. Top Quark Production Asymmetries AFBt and AFBl

    DOE PAGESBeta

    Berger, Edmond L.; Cao, Qing-Hong; Chen, Chuan-Ren; Yu, Jiang-Hao; Zhang, Hao

    2012-02-14

    A large forward-backward asymmetry is seen in both the top quark rapidity distribution AFBt and in the rapidity distribution of charged leptons AFBl from top quarks produced at the Tevatron. We study the kinematic and dynamic aspects of the relationship of the two observables arising from the spin correlation between the charged lepton and the top quark with different polarization states. We emphasize the value of both measurements, and we conclude that a new physics model which produces more right-handed than left-handed top quarks is favored by the present data.

  12. Single Top Quarks at the Tevatron

    SciTech Connect

    Heinson, Ann P.; /UC, Riverside

    2008-09-01

    After many years searching for electroweak production of top quarks, the Tevatron collider experiments have now moved from obtaining first evidence for single top quark production to an impressive array of measurements that test the standard model in several directions. This paper describes measurements of the single top quark cross sections, limits set on the CKM matrix element |Vtb|, searches for production of single top quarks produced via flavor-changing neutral currents and from heavy W-prime and H+ boson resonances, and studies of anomalous Wtb couplings. It concludes with projections for future expected significance as the analyzed datasets grow.

  13. Single Molecule Manipulation

    NASA Astrophysics Data System (ADS)

    Kiang, Ching-Hwa

    2011-10-01

    Single-molecule manipulation studies open a door for a close-up investigation of complex biological interactions at the molecular level. In these studies, single biomolecules are pulled while their force response is being monitored. The process is often nonequilibrium, and interpretation of the results has been challenging. We used the atomic force microscope to pull proteins and DNA, and determined the equilibrium properties of the molecules using the recently derived nonequilibrium work theorem. I will present applications of the technique in areas ranging from fundamental biological problems such as DNA mechanics, to complex medical processes such as the mechanical activation of von Willebrand Factor, a key protein in blood coagulation.

  14. Induction of apoptosis in colon cancer cells by a novel topoisomerase I inhibitor TopIn

    SciTech Connect

    Bae, Soo Kyung; Gwak, Jungsug; Song, Im-Sook; Park, Hyung-Soon; Oh, Sangtaek

    2011-05-27

    Highlights: {yields} TopIn activates p53-dependent transcription in colon cancer cells. {yields} TopIn induces apoptosis in colon cancer cells. {yields} TopIn selectively inhibits topoisomerase I activity. {yields} TopIn does not affect the activity of BCRP and MDR-1. -- Abstract: The tumor suppressor p53 plays an important role in cellular emergency mechanisms through regulating the genes involved in cell cycle arrest and apoptosis. To identify small molecules that can activate p53-responsive transcription, we performed chemical screening using genetically engineered HCT116 reporter cells. We found that TopIn (7-phenyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide) efficiently activated p53-mediated transcriptional activity and induced phosphorylation of p53 at Ser15, thereby stabilizing the p53 protein. Furthermore, TopIn upregulated the expression of p21{sup WAF1/CIP1}, a downstream target of p53, and suppressed cellular proliferation in various colon cancer cells. Additionally, TopIn induced DNA fragmentation, caspase-3/7 activation and poly ADP ribose polymerase cleavage, typical biochemical markers of apoptosis, in p53 wild-type and mutated colon cancer cells. Finally, we found that TopIn inhibited topoisomerase I activity, but not topoisomerase II, in vitro and induced the formation of the topoisomerase I-DNA complex in HCT116 colon cancer cells. Unlike camptothecin (CPT) and its derivative SN38, TopIn did not affect the activity of the ATP-binding cassette transporter breast cancer resistance protein (BCRP) or multidrug-resistant protein-1 (MDR-1). These results suggest that TopIn may present a promising new topoisomerase I-targeting anti-tumor therapeutics.

  15. Imaging of photoinduced tautomerism in single porphyrin molecules

    NASA Astrophysics Data System (ADS)

    Jäger, Regina; Chizhik, Anna M.; Chizhik, Alexey I.; Mack, Hans-Georg; Lyubimtsev, Alexey; Hanack, Michael; Meixner, Alfred J.

    2011-10-01

    In this work we present our new experimental and theoretical results upon investigations of the photoinduced tautomerism processes of single metal-free porphyrin-type molecules. During tautomerization a molecule changes its structure, therefore the excitation transition dipole moment (TDM) of the molecule changes its orientation. Using confocal microscopy in combination with azimuthally and radially polarized laser beams we are able to determine the orientation of the TDM as well as the orientation of a single molecule itself. In the case of tautomerism we are able to visualize this process and even the involved isomers separately. The study first focuses on two symmetrical compounds: a phthalocyanine and a porphyrin. Additionally, differences of the single molecules embedded in a polymer matrix or just spin-coated on a glass cover slide and under nitrogen flow are investigated. In the latter case we observe a higher frequency of the change of the TDM orientation. The experimental studies are supplemented by quantum chemical calculations. Variations of the molecular substituents, the environment and excitation wavelength can give new insights into the excited-state tautomerism process of a single molecule. We also introduce some suggestions for future experiments to support the understanding of the photoinduced tautomerism.

  16. MHD Integrated Topping Cycle Project

    SciTech Connect

    Not Available

    1992-02-01

    This fourteenth quarterly technical progress report of the MHD Integrated Topping Cycle Project presents the accomplishments during the period November 1, 1990 to January 31, 1991. Testing of the High Pressure Cooling Subsystem electrical isolator was completed. The PEEK material successfully passed the high temperature, high pressure duration tests (50 hours). The Combustion Subsystem drawings were CADAM released. The procurement process is in progress. An equipment specification and RFP were prepared for the new Low Pressure Cooling System (LPCS) and released for quotation. Work has been conducted on confirmation tests leading to final gas-side designs and studies to assist in channel fabrication.The final cathode gas-side design and the proposed gas-side designs of the anode and sidewall are presented. Anode confirmation tests and related analyses of anode wear mechanisms used in the selection of the proposed anode design are presented. Sidewall confirmation tests, which were used to select the proposed gas-side design, were conducted. The design for the full scale CDIF system was completed. A test program was initiated to investigate the practicality of using Avco current controls for current consolidation in the power takeoff (PTO) regions and to determine the cause of past current consolidation failures. Another important activity was the installation of 1A4-style coupons in the 1A1 channel. A description of the coupons and their location with 1A1 channel is presented herein.

  17. The TOP-IMPLART project

    NASA Astrophysics Data System (ADS)

    Ronsivalle, C.; Carpanese, M.; Marino, C.; Messina, G.; Picardi, L.; Sandri, S.; Basile, E.; Caccia, B.; Castelluccio, D. M.; Cisbani, E.; Frullani, S.; Ghio, F.; Macellari, V.; Benassi, M.; D'Andrea, M.; Strigari, L.

    2011-07-01

    A new proton therapy center is planned to be built in Rome, Italy. The project, named TOP-IMPLART, is developed by three institutions, ENEA (Agenzia Nazionale per le Nuove tecnologie, l'Energia e lo Sviluppo Economico Sostenibile - Italian national agency for new technologies, energy and sustainable economic development), ISS (Istituto Superiore di Sanità, Italian National Institute of Health) and IFO-IRE (Istituto Fisioterapico Ospedaliero - Istituto Regina Elena, Regina Elena, National Cancer Institute in Rome). The project is centered on a medium-energy proton accelerator designed as a sequence of linear accelerators. Two phases of construction are foreseen: the first (funded by the Italian Regione Lazio for 11 M€ spread over four years) with a maximum energy of 150 MeV and the second one up to 230 MeV. The segment up to 150 MeV is under construction and will be tested at the ENEA Research Center in Frascati before the transfer to IFO that is the clinical user. The basic concepts of the design are described here.

  18. Top-of-Rail lubricant

    SciTech Connect

    Alzoubi, M. F.; Fenske, G. R.; Erck, R. A.; Boparai, A. S.

    2000-07-14

    Analysis of the volatile and semivolatile fractions collected after use of the TOR lubricant indicated that other than contaminants in the collection laboratory, no compounds on the EPA's Target Compound Lists (Tables 2 and 5) were detected in these fractions. The data of these qualitative analyses, given in the various tables in the text, indicate only the relative amounts of the tentatively identified compounds. The authors recommend that quantitative analysis be performed on the volatile and semivolatile fractions to allow confirmation of the tentatively identified compounds and to obtain absolute amounts of the detected compounds. Additionally, the semivolatile fraction should be analyzed by liquid chromatography/mass spectrometry to identify compounds that are not chromatographable under the temperature program used for determination of semivolatile compounds. Introducing the top-of-rail (TOR) lubricant into the wheel/rail interface results in a reduction of almost 60% of lateral friction force over the forces encountered under dry conditions. This reveals good potential for energy savings, as well as wear reduction, for railroad companies. In TOR lubrication, an increase in the angle of attack and axle load results in increased lateral friction and rate of lubricant consumption. The most efficient TOR lubricant quantity to be used in the wheel/rail interface must be calculated precisely according to the number of cars, axle loads, train speed, and angle of attack.

  19. Testing the validity of Bose-Einstein statistics in molecules

    NASA Astrophysics Data System (ADS)

    Cancio Pastor, P.; Galli, I.; Giusfredi, G.; Mazzotti, D.; De Natale, P.

    2015-12-01

    The search for small violations of the validity of the symmetrization postulate and of the spin-statistics connection (SSC) has been addressed in the last four decades by experimental tests performed in different physical systems of identical fermions or bosons. In parallel and consequently, theories extending the quantum mechanics to a more general level have been proposed to explain such possible violations. In this paper, we present the most stringent test to a possible violation of the SSC under permutation of the bosonic 16O nuclei in the 12CO162 molecule. An upper limit of 3.8 ×10-12 for an SSC-anomalous CO2 molecule is obtained using saturated-absorption cavity ring-down spectroscopy in the SSC-forbidden (0001 -0000 ) R (25) rovibrational transition of 12CO162 at a 4.25 -μ m wavelength. Quantum mechanics implications of this result are discussed in the frame of the q -mutator theory. Finally, the perspective of stringent experimental tests of the symmetrization postulate in molecules that contain three or more identical nuclei is discussed.

  20. Quantum rotor model for a Bose-Einstein condensate of dipolar molecules.

    PubMed

    Armaitis, J; Duine, R A; Stoof, H T C

    2013-11-22

    We show that a Bose-Einstein condensate of heteronuclear molecules in the regime of small and static electric fields is described by a quantum rotor model for the macroscopic electric dipole moment of the molecular gas cloud. We solve this model exactly and find the symmetric, i.e., rotationally invariant, and dipolar phases expected from the single-molecule problem, but also an axial and planar nematic phase due to many-body effects. Investigation of the wave function of the macroscopic dipole moment also reveals squeezing of the probability distribution for the angular momentum of the molecules. PMID:24313496

  1. 'Top down' protein characterization via tandem mass spectrometry.

    PubMed

    Reid, Gavin E; McLuckey, Scott A

    2002-07-01

    Technological and scientific advances over the past decade have enabled protein identification and characterization strategies to be developed that are based on subjecting intact protein ions and large protein fragments directly to tandem mass spectrometry. These approaches are referred to collectively as 'top down' to contrast them with 'bottom up' approaches whereby protein identification is based on mass spectrometric analysis of peptides derived from proteolytic digestion, usually with trypsin. A key step in enabling top down approaches has been the ability to assign tandem mass spectrometer product ion identities, which can be done either via high resolving power or through product ion charge state manipulation. The ability to determine product ion charge states has permitted studies of the reactions, including dissociation, ion-molecule reactions, ion-electron reactions and ion-ion reactions of high-mass, multiply charged protein ions. Electrospray ionization combined with high magnetic field strength Fourier transform ion cyclotron resonance has proven to be particularly powerful for detailed protein characterization owing to its high mass resolution and mass accuracy and its ability to effect electron capture-induced dissociation. Other types of tandem mass spectrometers are also beginning to find increasing use in top down protein identification/characterization studies. Charge state manipulation via ion-ion reactions in electrodynamic ion traps, for example, enables top down strategies to be considered using instruments with relatively modest mass resolution capabilities. Precursor ion charge state manipulation techniques have also recently been demonstrated to be capable of concentrating and charge-state purifying proteins in the gas phase. Advances in technologies applied to the structural analysis of whole protein ions and in understanding their reactions, such as those described here, are providing new options for the study of complex protein mixtures. PMID:12124999

  2. A New Approach to Materials Discovery for Electronic and Thermoelectric Properties of Single-Molecule Junctions.

    PubMed

    Manrique, David Zsolt; Al-Galiby, Qusiy; Hong, Wenjing; Lambert, Colin J

    2016-02-10

    We have investigated a large set of symmetric and asymmetric molecules to demonstrate a general rule for molecular-scale quantum transport, which provides a new route to materials design and discovery. The rule states "the conductance GXBY of an asymmetric molecule is the geometric mean of the conductance of the two symmetric molecules derived from it and the thermopower SXBY of the asymmetric molecule is the algebraic mean of their thermopowers". The studied molecules have a structure X-B-Y, where B is the backbone of the molecule, while X and Y are anchor groups, which bind the molecule to metallic electrodes. When applied to experimentally measured histograms of conductance and thermopower, the rules apply to the statistically most probable values. We investigated molecules with anchors chosen from the following family: cyano, pyridl, dihydrobenzothiol, amine and thiol. For the backbones B, we tested 14 different structures. We found that the formulas (GXBY)(2) = GXBX*GYBY and SXBY = (SXBX + SYBY)/2 were satisfied in the large majority of the cases, provided the Fermi energy is located within the HOMO-LUMO gap of the molecules. The circuit rules imply that if measurements are performed on molecules with nA different anchors and nB different backbones, then properties of nA(nA + 1)nB/2 molecules can be predicted. So for example, in the case of 20 backbones and 10 anchors, 30 measurements (or reliable calculations) can provide a near quantitative estimate for 1070 measurements of other molecules, at no extra cost. PMID:26784577

  3. Mighty Molecule Models

    ERIC Educational Resources Information Center

    Brown, Tom; Rushton, Greg; Bencomo, Marie

    2008-01-01

    As part of the SMATHematics Project: The Wonder of Science, The Power of Mathematics--a collaborative partnership between Kennesaw State University and two local school districts, fifth graders had the opportunity to puzzle out chemical formulas of propane, methanol, and other important molecules. In addition, they explored properties that

  4. The Science of Molecules

    ERIC Educational Resources Information Center

    Flory, Paul J.

    1974-01-01

    The author maintains that chemistry has a key role as the science of molecules and rejects the concept of chemistry as a branch of physics. The scope of chemistry, the philosophies underlying its practice, and the teaching of the subject also are discussed. (DT)

  5. Halley's polymeric organic molecules

    SciTech Connect

    Huebner, W.F.; Boice, D.C.; Korth, A.

    1989-01-01

    The detection of polymeric organic compounds in the mass spectrum of Comet Halley obtained with the Positive Ion Cluster Composition analyzer on Giotto are examined. It is found that, in addition to polyoxymethylene, other polymers and complex molecules may exist in the comet. It is suggested that polymerized hydrogen cyanide may be a source for the observed CN and NH2 jets. 31 refs.

  6. Diversity in Biological Molecules

    ERIC Educational Resources Information Center

    Newbury, H. John

    2010-01-01

    One of the striking characteristics of fundamental biological processes, such as genetic inheritance, development and primary metabolism, is the limited amount of variation in the molecules involved. Natural selective pressures act strongly on these core processes and individuals carrying mutations and producing slightly sub-optimal versions of

  7. Diversity in Biological Molecules

    ERIC Educational Resources Information Center

    Newbury, H. John

    2010-01-01

    One of the striking characteristics of fundamental biological processes, such as genetic inheritance, development and primary metabolism, is the limited amount of variation in the molecules involved. Natural selective pressures act strongly on these core processes and individuals carrying mutations and producing slightly sub-optimal versions of…

  8. Halley's polymeric organic molecules

    NASA Technical Reports Server (NTRS)

    Huebner, W. F.; Boice, D. C.; Korth, A.

    1989-01-01

    The detection of polymeric organic compounds in the mass spectrum of Comet Halley obtained with the Positive Ion Cluster Composition analyzer on Giotto are examined. It is found that, in addition to polyoxymethylene, other polymers and complex molecules may exist in the comet. It is suggested that polymerized hydrogen cyanide may be a source for the observed CN and NH2 jets.

  9. Characterization of a potentially axially symmetric europium(III) complex of a tetraacetate,tetraaza, macrocyclic ligand by luminescence excitation, emission and lifetime spectroscopy

    NASA Astrophysics Data System (ADS)

    Albin, Michael; de, William; Horrocks, W., Jr.; Liotta, Frank J.

    1982-01-01

    The Eu(III) complex of the octadentate macrocyclic ligand, 1,4,7,10-tetraazacyclododecane-N,N',N'',N''' -tetraacetate, DOTA, has been examined by luminescence excitation, emission, and lifetime spectroscopy using pulsed dye laser techniques. The results confirm the expected axially symmetric nature of the major component in solution and reveal that 1.2 ± 0.4 water molecules arc coordinatcd to the Eu(III) ion in the complex.

  10. Separator-Integrated, Reversely Connectable Symmetric Lithium-Ion Battery.

    PubMed

    Wang, Yuhang; Zeng, Jiren; Cui, Xiaoqi; Zhang, Lijuan; Zheng, Gengfeng

    2016-02-01

    A separator-integrated, reversely connectable, symmetric lithium-ion battery is developed based on carbon-coated Li3 V2 (PO4 )3 nanoparticles and polyvinylidene fluoride-treated separators. The Li3 V2 (PO4 )3 nanoparticles are synthesized via a facile solution route followed by calcination in Ar/H2 atmosphere. Sucrose solution is used as the carbon source for uniform carbon coating on the Li3 V2 (PO4 )3 nanoparticles. Both the carbon and the polyvinylidene fluoride treatments substantially improve the cycling life of the symmetric battery by preventing the dissolution and shuttle of the electroactive Li3 V2 (PO4 )3 . The obtained symmetric full cell exhibits a reversible capacity of ?87 mA h g(-1) , good cycling stability, and capacity retention of ?70% after 70 cycles. In addition, this type of symmetric full cell can be operated in both forward and reverse connection modes, without any influence on the cycling of the battery. Furthermore, a new separator integration approach is demonstrated, which enables the direct deposition of electroactive materials for the battery assembly and does not affect the electrochemical performance. A 10-tandem-cell battery assembled without differentiating the electrode polarity exhibits a low thickness of ?4.8 mm and a high output voltage of 20.8 V. PMID:26725040

  11. 14 CFR 25.331 - Symmetric maneuvering conditions.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Symmetric maneuvering conditions. 25.331 Section 25.331 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION... determining elevator angles and chordwise load distribution in the maneuvering conditions of paragraphs...

  12. 14 CFR 25.331 - Symmetric maneuvering conditions.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Symmetric maneuvering conditions. 25.331 Section 25.331 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION... determining elevator angles and chordwise load distribution in the maneuvering conditions of paragraphs...

  13. Radiative seesaw in left-right symmetric model

    SciTech Connect

    Gu Peihong; Sarkar, Utpal

    2008-10-01

    There are some radiative origins for the neutrino masses in the conventional left-right symmetric models with the usual bidoublet and triplet Higgs scalars. These radiative contributions could dominate over the tree-level seesaw and could explain the observed neutrino masses.

  14. Constructing I[subscript h] Symmetrical Fullerenes from Pentagons

    ERIC Educational Resources Information Center

    Gan, Li-Hua

    2008-01-01

    Twelve pentagons are sufficient and necessary to form a fullerene cage. According to this structural feature of fullerenes, we propose a simple and efficient method for the construction of I[subscript h] symmetrical fullerenes from pentagons. This method does not require complicated mathematical knowledge; yet it provides an excellent paradigm for…

  15. Spherically symmetric black holes in Kaluza-Klein unification

    NASA Astrophysics Data System (ADS)

    Cho, Y. M.; Park, D. H.

    1990-03-01

    Exact time-independent spherically symmetric black hole solutions of the (4+3)-dimensional Kaluza-Klein theory are obtained by imposing the isometry group E2 on the unified metric. The solutions include the five-dimensional Dobiasch-Maison-Lee solutions as a special case. The physical implication of the solutions is discussed.

  16. Perception of the Symmetrical Patterning of Human Gait by Infants.

    ERIC Educational Resources Information Center

    Booth, Amy E.; Pinto, Jeannine; Bertenthal, Bennett I.

    2002-01-01

    Two experiments tested infants' sensitivity to properties of point-light displays of a walker and a runner that were equivalent regarding the phasing of limb movements. Found that 3-, but not 5-month-olds, discriminated these displays. When the symmetrical phase-patterning of the runner display was perturbed by advancing two of its limbs by 25

  17. Topological phase in a non-Hermitian PT symmetric system

    NASA Astrophysics Data System (ADS)

    Yuce, C.

    2015-06-01

    In this work, we consider a tight binding lattice with two non-Hermitian impurities. The system is described by a non-Hermitian generalization of the Aubry-Andre model. We show that there exists topologically nontrivial edge states for the system in the PT symmetric region.

  18. Constructing I[subscript h] Symmetrical Fullerenes from Pentagons

    ERIC Educational Resources Information Center

    Gan, Li-Hua

    2008-01-01

    Twelve pentagons are sufficient and necessary to form a fullerene cage. According to this structural feature of fullerenes, we propose a simple and efficient method for the construction of I[subscript h] symmetrical fullerenes from pentagons. This method does not require complicated mathematical knowledge; yet it provides an excellent paradigm for

  19. Three-dimensional description of symmetric objects from range images

    NASA Astrophysics Data System (ADS)

    Alvertos, Nicolas; D'Cunha, Ivan

    1991-02-01

    This paper presents a new technique for the three-dimensional recognition of symmetric objects from range images. Beginning from the implicit representation of quadrics a set of ten coefficients is determined for symmetric objects like spheres cones cylinders ellipsoids and parallelepipeds. Instead of using these ten coefficients trying to fit them to smooth surfaces (patches) based on the traditional way of determining curvatures a new approach based on two-dimensional geometry is utilized. For each symmetric object a unique set of two-dimensional curves is obtained from the various angles at which the object is intersected with a plane. Utilizing the same ten coefficients obtained earher and based on the discriminant method each of these curves is classified as a parabola a circle an ellipse or a hyperbola. Each symmetric object is found to possess a unique set of these two-dimensional curves whereby it can be differentiated from the others. In other words it is shown that instead of using the three-dimensional discriminant which involves evaluation of the rank of its matrix it is sufficient to utilize the two-dimensional discriminant which only requires three arithmetic operations. This approach seems to be more accurate and computationally inexpensive compared to the traditional approaches. 1.

  20. Symmetrical lipomatosis of the tongue: Case report and literature review.

    PubMed

    Azuma, Munehiro; Adachi, Makoto; Motohashi, Masayuki; Muramatsu, Yasunori

    2015-01-01

    Multiple symmetric lipomatosis is rare and characterized by diffuse growth and nonencapsulated lipomas. It is usually found in the posterior neck and upper trunk, and the entity is known as "benign symmetric lipomatosis," "Madelung disease," and "Launois-Bensaude syndrome." Symmetric lipomatosis of the tongue was first described by Desmond and is an extremely rare condition. A 74-year-old man complained of painless tongue swelling and difficulty speaking. Clinical findings revealed no tumor masses on the trunk, limbs, or head and neck region. Intraoral findings included soft yellowish masses with a smooth surface without erosions on the side of the tongue bilaterally. They were 30 mm in diameter. An incisional biopsy was taken from the mass, and the lipoma was diagnosed. The bilateral tongue lesions were resected under general anesthesia. Intraoperative findings revealed adipose tissues interspersed with lingual muscles and no capsulation. The lesion was finally diagnosed as symmetric lipomatosis of the tongue based on clinical findings and radiological and histologic examination. PMID:26228680

  1. Duality, phase structures, and dilemmas in symmetric quantum games

    NASA Astrophysics Data System (ADS)

    Ichikawa, Tsubasa; Tsutsui, Izumi

    2007-03-01

    Symmetric quantum games for 2-player, 2-qubit strategies are analyzed in detail by using a scheme in which all pure states in the 2-qubit Hilbert space are utilized for strategies. We consider two different types of symmetric games exemplified by the familiar games, the Battle of the Sexes (BoS) and the Prisoners' Dilemma (PD). These two types of symmetric games are shown to be related by a duality map, which ensures that they share common phase structures with respect to the equilibria of the strategies. We find eight distinct phase structures possible for the symmetric games, which are determined by the classical payoff matrices from which the quantum games are defined. We also discuss the possibility of resolving the dilemmas in the classical BoS, PD, and the Stag Hunt (SH) game based on the phase structures obtained in the quantum games. It is observed that quantization cannot resolve the dilemma fully for the BoS, while it generically can for the PD and SH if appropriate correlations for the strategies of the players are provided.

  2. All static spherically symmetric anisotropic solutions of Einstein's equations

    SciTech Connect

    Herrera, L.; Di Prisco, A.; Ospino, J.

    2008-01-15

    An algorithm recently presented by Lake to obtain all static spherically symmetric perfect fluid solutions is extended to the case of locally anisotropic fluids (principal stresses unequal). As expected, the new formalism requires the knowledge of two functions (instead of one) to generate all possible solutions. To illustrate the method some known cases are recovered.

  3. Duality, phase structures, and dilemmas in symmetric quantum games

    SciTech Connect

    Ichikawa, Tsubasa . E-mail: tsubasa@post.kek.jp; Tsutsui, Izumi

    2007-03-15

    Symmetric quantum games for 2-player, 2-qubit strategies are analyzed in detail by using a scheme in which all pure states in the 2-qubit Hilbert space are utilized for strategies. We consider two different types of symmetric games exemplified by the familiar games, the Battle of the Sexes (BoS) and the Prisoners' Dilemma (PD). These two types of symmetric games are shown to be related by a duality map, which ensures that they share common phase structures with respect to the equilibria of the strategies. We find eight distinct phase structures possible for the symmetric games, which are determined by the classical payoff matrices from which the quantum games are defined. We also discuss the possibility of resolving the dilemmas in the classical BoS, PD, and the Stag Hunt (SH) game based on the phase structures obtained in the quantum games. It is observed that quantization cannot resolve the dilemma fully for the BoS, while it generically can for the PD and SH if appropriate correlations for the strategies of the players are provided.

  4. Collective quantization of axially symmetric gravitating B=2 skyrmion

    SciTech Connect

    Sato, Hisayuki; Sawado, Nobuyuki; Shiiki, Noriko

    2007-01-01

    In this paper we perform collective quantization of an axially symmetric skyrmion with baryon number two. The rotational and isorotational modes are quantized to obtain the static properties of a deuteron and other dibaryonic objects such as masses, charge densities, and magnetic moments. We discuss how gravity affects those observables.

  5. Kinetics of random sequential adsorption of nearly spherically symmetric particles

    NASA Astrophysics Data System (ADS)

    Cieśla, Michał; Barbasz, Jakub

    2014-02-01

    Kinetics of random sequential adsorption (RSA) of disks on flat, two-dimensional surfaces is governed by a power law with exponent -1/2. The study has shown that for RSA of nearly spherically symmetric particles this exponent is -1/3, whereas other characteristics typically measured in RSA simulations approach values known for disks with the increase of symmetry of the particles.

  6. Perturbation approximation for orbits in axially symmetric funnels

    NASA Astrophysics Data System (ADS)

    Nauenberg, Michael

    2014-11-01

    A perturbation method that can be traced back to Isaac Newton is applied to obtain approximate analytic solutions for objects sliding in axially symmetric funnels in near circular orbits. Some experimental observations are presented for balls rolling in inverted cones with different opening angles, and in a funnel with a hyperbolic surface that approximately simulates the gravitational force.

  7. SLIP: A Symmetric List Processing Language in PL-I.

    ERIC Educational Resources Information Center

    Leaf, William A.

    SLIP (Symmetric List Processing) is a list processing system designed to be added to a higher order language (PL-1 in this version) so that the user has available to him list processing powers. The primary value of such a system is its data handling power. Through SLIP, one can set up lists of data, scan those lists, alter them, and read or write

  8. 47 CFR 51.711 - Symmetrical reciprocal compensation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... of a cost study using the forward-looking economic cost based pricing methodology described in §§ 51... symmetrical rates for transport and termination based on the larger carrier's forward-looking costs. (3) Where... telecommunications traffic based on the forward-looking costs that such licensees incur in providing such...

  9. Symmetric and antisymmetric structure constants for SU(6)

    SciTech Connect

    Sarid, U.

    1985-08-01

    The 124 completely antisymmetric f/sub i/jk and 221 completely symmetric d/sub i/jk (nonzero) structure constants for a simple representation of SU(6) are tabulated. The basis matrices lambda/sub i/ used to generate the structure constants are also given.

  10. Infrared study of some solid chlorophenols. Part 1. Symmetric derivatives

    NASA Astrophysics Data System (ADS)

    Siguenza, C.; Gonzalez-Diaz, P. F.

    1985-10-01

    The IR spectra of some halogenated symmetric derivatives of phenol in solid state are reported. The CNDO/2 method has been applied to calculate the V2 torsional barrier; this method gives larger values than those obtained from other conventional methods. The origin of the tilt angle in phenols is discussed.

  11. Casimir effect for smooth potentials on spherically symmetric pistons

    NASA Astrophysics Data System (ADS)

    Morales-Almazan, Pedro; Kirsten, Klaus

    2015-12-01

    In this article we consider a spherical piston modeled by a spherically symmetric potential. The piston is positioned between two spherical shells and the corresponding Casimir energy and force are computed. Zeta function regularization based upon suitable contour integral representations is utilized. A numerical analysis of the Casimir force is provided for a variety of Gaussian like potentials.

  12. The symmetric = ? -semi-classical orthogonal polynomials of class one

    NASA Astrophysics Data System (ADS)

    Maroni, P.; Mejri, M.

    2008-12-01

    We give the system of Laguerre-Freud equations associated with the = ? -semi-classical functionals of class one, where = ? is the divided difference operator. This system is solved in the symmetric case. There are essentially two canonical cases. The corresponding integral representations are given.

  13. LANZ: Software solving the large sparse symmetric generalized eigenproblem

    NASA Technical Reports Server (NTRS)

    Jones, Mark T.; Patrick, Merrell L.

    1990-01-01

    A package, LANZ, for solving the large symmetric generalized eigenproblem is described. The package was tested on four different architectures: Convex 200, CRAY Y-MP, Sun-3, and Sun-4. The package uses a Lanczos' method and is based on recent research into solving the generalized eigenproblem.

  14. OMG: Open Molecule Generator

    PubMed Central

    2012-01-01

    Computer Assisted Structure Elucidation has been used for decades to discover the chemical structure of unknown compounds. In this work we introduce the first open source structure generator, Open Molecule Generator (OMG), which for a given elemental composition produces all non-isomorphic chemical structures that match that elemental composition. Furthermore, this structure generator can accept as additional input one or multiple non-overlapping prescribed substructures to drastically reduce the number of possible chemical structures. Being open source allows for customization and future extension of its functionality. OMG relies on a modified version of the Canonical Augmentation Path, which grows intermediate chemical structures by adding bonds and checks that at each step only unique molecules are produced. In order to benchmark the tool, we generated chemical structures for the elemental formulas and substructures of different metabolites and compared the results with a commercially available structure generator. The results obtained, i.e. the number of molecules generated, were identical for elemental compositions having only C, O and H. For elemental compositions containing C, O, H, N, P and S, OMG produces all the chemically valid molecules while the other generator produces more, yet chemically impossible, molecules. The chemical completeness of the OMG results comes at the expense of being slower than the commercial generator. In addition to being open source, OMG clearly showed the added value of constraining the solution space by using multiple prescribed substructures as input. We expect this structure generator to be useful in many fields, but to be especially of great importance for metabolomics, where identifying unknown metabolites is still a major bottleneck. PMID:22985496

  15. Review of Top Quark Physics Results

    SciTech Connect

    Kehoe, R.; Narain, M.; Kumar, A.; ,

    2007-12-01

    As the heaviest known fundamental particle, the top quark has taken a central role in the study of fundamental interactions. Production of top quarks in pairs provides an important probe of strong interactions. The top quark mass is a key fundamental parameter which places a valuable constraint on the Higgs boson mass and electroweak symmetry breaking. Observations of the relative rates and kinematics of top quark final states constrain potential new physics. In many cases, the tests available with study of the top quark are both critical and unique. Large increases in data samples from the Fermilab Tevatron have been coupled with major improvements in experimental techniques to produce many new precision measurements of the top quark. The first direct evidence for electroweak production of top quarks has been obtained, with a resulting direct determination of V{sub tb}. Several of the properties of the top quark have been measured. Progress has also been made in obtaining improved limits on potential anomalous production and decay mechanisms. This review presents an overview of recent theoretical and experimental developments in this field. We also provide a brief discussion of the implications for further efforts.

  16. Supercharged topping rocket propellant feed system

    NASA Technical Reports Server (NTRS)

    Stewart, W. L.; Ginsburg, A.; Hartmann, M. J. (inventors)

    1979-01-01

    A rocket propellant feed system utilizing a bleed turbopump to supercharge a topping turbopump is presented. The bleed turbopump is of a low pressure type to meet the cavitation requirements imposed by the propellant storage tanks. The topping turbopump is of a high pressure type and develops 60 to 70 percent of the pressure rise in the propellant.

  17. 49 CFR 236.779 - Plate, top.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 4 2012-10-01 2012-10-01 false Plate, top. 236.779 Section 236.779 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD ADMINISTRATION, DEPARTMENT OF... OF SIGNAL AND TRAIN CONTROL SYSTEMS, DEVICES, AND APPLIANCES Definitions 236.779 Plate, top....

  18. 49 CFR 236.779 - Plate, top.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 4 2011-10-01 2011-10-01 false Plate, top. 236.779 Section 236.779 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD ADMINISTRATION, DEPARTMENT OF... OF SIGNAL AND TRAIN CONTROL SYSTEMS, DEVICES, AND APPLIANCES Definitions 236.779 Plate, top....

  19. The Sakai Spinner: A Paperclip Top

    ERIC Educational Resources Information Center

    Corrao, Christian T.

    2014-01-01

    A challenge: Can you create a stable top from a single paper clip? Several interesting solutions to this problem were provided by Takao Sakai from Japan, the requirement of each being that the center of gravity be located on the vertical y-axis at the center of the top. In the simplest configuration, we see that there exists a single angle ?

  20. 49 CFR 236.779 - Plate, top.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 4 2014-10-01 2014-10-01 false Plate, top. 236.779 Section 236.779 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD ADMINISTRATION, DEPARTMENT OF... OF SIGNAL AND TRAIN CONTROL SYSTEMS, DEVICES, AND APPLIANCES Definitions 236.779 Plate, top....