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Sample records for configuration dependent pairing

  1. Spatiotemporal configuration dependent pairing of nerve events in dark-adapted human vision

    NASA Astrophysics Data System (ADS)

    Bouman, Maarten A.

    2002-02-01

    In the model presented here, in the dark any single quantum absorption in a rod or cone produces a subliminal excitation. Subliminal excitations from both halves of a twin unit pair in the retina for the perception of light from the stimulus. A twin unit contains either two red or two green cones. The twin units are intertwined in triples of two red units and one green unit in a hexagon called a trion. P satellite rods surround each cone, P being approximately proportional to the square of eccentricity. A successful pairing for light perception represents-through the points of time and locations of the creation of its partners in the retina-a direction event with two possible polarities and with the orientation of the elongated shape of the twin unit. The polarity of the event depends on which of the two partners arrives first at the twin's pairing facility. Simultaneous events and successive events with the same polarity in adjacent units that are aligned along one of the three orientations of the hexagonal retinal mosaic pair in the cortex for the perception of edge and of movement. Inter-twin pairing products of the three differently oriented sets of aligned twins are independent of each other and sum vectorially in the cortex. This system of three sub-retinas is called the retrinet. Two one-quantum excitations in any of a twin's receptors make the percept colored. The odd blue cone produces already a blue signal for a single one-quantum excitation. Intra-receptor pairing in a rod, a red cone and a green cone is for white, red, and green respectively. Red and green cone products of a trion cross-pair in the retina and produce a yellow signal. Red and green cone products of a hexagon of adjacent trions cross-pair in the cortex and produce a white signal. This large hexagon with a total of seven trions is called a persepton. After subliminal excitations in a twin have paired successfully, further subliminal receptor excitations in neighboring and aligned twins are

  2. Nuclear pairing within a configuration-space Monte Carlo approach

    NASA Astrophysics Data System (ADS)

    Lingle, Mark; Volya, Alexander

    2015-06-01

    Pairing correlations in nuclei play a decisive role in determining nuclear drip lines, binding energies, and many collective properties. In this work a new configuration-space Monte Carlo (CSMC) method for treating nuclear pairing correlations is developed, implemented, and demonstrated. In CSMC the Hamiltonian matrix is stochastically generated in Krylov subspace, resulting in the Monte Carlo version of Lanczos-like diagonalization. The advantages of this approach over other techniques are discussed; the absence of the fermionic sign problem, probabilistic interpretation of quantum-mechanical amplitudes, and ability to handle truly large-scale problems with defined precision and error control are noteworthy merits of CSMC. The features of our CSMC approach are shown using models and realistic examples. Special attention is given to difficult limits: situations with nonconstant pairing strengths, cases with nearly degenerate excited states, limits when pairing correlations in finite systems are weak, and problems when the relevant configuration space is large.

  3. Practical sliced configuration spaces for curved planar pairs

    SciTech Connect

    Sacks, E.

    1999-01-01

    In this article, the author presents a practical configuration-space computation algorithm for pairs of curved planar parts, based on the general algorithm developed by Bajaj and the author. The general algorithm advances the theoretical understanding of configuration-space computation, but is too slow and fragile for some applications. The new algorithm solves these problems by restricting the analysis to parts bounded by line segments and circular arcs, whereas the general algorithm handles rational parametric curves. The trade-off is worthwhile, because the restricted class handles most robotics and mechanical engineering applications. The algorithm reduces run time by a factor of 60 on nine representative engineering pairs, and by a factor of 9 on two human-knee pairs. It also handles common special pairs by specialized methods. A survey of 2,500 mechanisms shows that these methods cover 90% of pairs and yield an additional factor of 10 reduction in average run time. The theme of this article is that application requirements, as well as intrinsic theoretical interest, should drive configuration-space research.

  4. Energetics and configurations of He-He pair in vacancy of transition metals

    NASA Astrophysics Data System (ADS)

    Zhang, Pengbo; Zhao, Jijun

    2014-03-01

    We report an atomistic study of energetics and configurations of He-He pair in vacancy of bcc transition metals (V, Nb, Ta, Cr, Mo, W, and Fe) using first-principles methods. The results show He-vacancy attractions in the group VB metals are 2-3 times weaker than those in Cr, Mo, W and Fe. The <111> dumbbell configuration for He-He pair in vacancy is the most stable except for V. Calculated formation energies of He-He pair in vacancy of group VB metals (3.2-3.95 eV) are systematically lower than those of group VIB and VIIIB metals (4.25-5.67 eV), while He-He distance for V metal is greater than other metals. He-metal repulsion is stronger than He-He due to longer He-metal distance in metal vacancy. Calculated densities of states provide a reasonable explanation for most stable configuration; thus the stability of He-He pairs depends strongly on the electronic structure of the host and insignificantly on its atomic size. Moreover, the group-specific trends of He-He and self-interstitial configurations are discussed.

  5. Configurations of base-pair complexes in solutions. [nucleotide chemistry

    NASA Technical Reports Server (NTRS)

    Egan, J. T.; Nir, S.; Rein, R.; Macelroy, R.

    1978-01-01

    A theoretical search for the most stable conformations (i.e., stacked or hydrogen bonded) of the base pairs A-U and G-C in water, CCl4, and CHCl3 solutions is presented. The calculations of free energies indicate a significant role of the solvent in determining the conformations of the base-pair complexes. The application of the continuum method yields preferred conformations in good agreement with experiment. Results of the calculations with this method emphasize the importance of both the electrostatic interactions between the two bases in a complex, and the dipolar interaction of the complex with the entire medium. In calculations with the solvation shell method, the last term, i.e., dipolar interaction of the complex with the entire medium, was added. With this modification the prediction of the solvation shell model agrees both with the continuum model and with experiment, i.e., in water the stacked conformation of the bases is preferred.

  6. A configuration space Monte Carlo algorithm for solving the nuclear pairing problem

    NASA Astrophysics Data System (ADS)

    Lingle, Mark

    Nuclear pairing correlations using Quantum Monte Carlo are studied in this dissertation. We start by defining the nuclear pairing problem and discussing several historical methods developed to solve this problem, paying special attention to the applicability of such methods. A numerical example discussing pairing correlations in several calcium isotopes using the BCS and Exact Pairing solutions are presented. The ground state energies, correlation energies, and occupation numbers are compared to determine the applicability of each approach to realistic cases. Next we discuss some generalities related to the theory of Markov Chains and Quantum Monte Carlo in regards to nuclear structure. Finally we present our configuration space Monte Carlo algorithm starting from a discussion of a path integral approach by the authors. Some general features of the Pairing Hamiltonian that boost the effectiveness of a configuration space Monte Carlo approach are mentioned. The full details of our method are presented and special attention is paid to convergence and error control. We present a series of examples illustrating the effectiveness of our approach. These include situations with non-constant pairing strengths, limits when pairing correlations are weak, the computation of excited states, and problems when the relevant configuration space is large. We conclude with a chapter examining some of the effects of continuum states in 24O.

  7. Chiral resolution and absolute configuration of a pair of rare racemic spirodienone sesquineolignans from Xanthium sibiricum.

    PubMed

    Shi, Yusheng; Liu, Yunbao; Li, Yong; Li, Li; Qu, Jing; Ma, Shuanggang; Yu, Shishan

    2014-10-17

    A pair of racemic spirodienone neolignan enantiomers, (±)-sibiricumin A, were isolated from the extract of the fruits of Xanthium sibiricum. The resolution of (+)- and (-)-sibiricumin A was achieved by chiral HPLC. The absolute configurations of the racemes were assigned by X-ray and by electronic circular dichroism (ECD). This experiment is the first unambiguous determination of the absolute configuration of spirodienone neolignan. PMID:25275854

  8. Isospin Dependent Pairing Interactions and BCS-BEC crossover

    SciTech Connect

    Sagawa, H.; Margueron, J.; Hagino, K.

    2008-11-11

    We propose new types of density dependent contact pairing interaction which reproduce the pairing gaps in symmetric and neutron matters obtained by a microscopic treatment based on the realistic nucleon-nucleon interaction. The BCS-BEC crossover of neutrons pairs in symmetric and asymmetric nuclear matters is studied by using these contact interactions. It is shown that the bare and screened pairing interactions lead to different features of the BCS-BEC crossover in symmetric nuclear matter. We perform Hartree-Fock-Bogoliubov (HFB) calculations for semi-magic Calcium, Nickel, Tin and Lead isotopes and N = 20, 28, 50 and 82 isotones using these density-dependent pairing interactions. Our calculations well account for the experimental data for the neutron number dependence of binding energy, two neutrons separation energy, and odd-even mass staggering of these isotopes. Especially the interaction IS+IV Bare without the medium polarization effect gives satisfactory results for all the isotopes.

  9. Spatial dependence of pairing in deformed nuclei

    SciTech Connect

    Balbutsev, E. B.; Malov, L. A.; Schuck, P.

    2011-11-15

    The solution of time-dependent Hartree-Fock-Bogoliubov equations by the Wignerfunction-moments method leads to the appearance of refined low-lying modes whose description requires the accurate knowledge of the anomalous density matrix. It is shown that calculations with Woods-Saxon potential satisfy this requirement, producing an anomalous density matrix of the same quality as more complicated calculations with realistic forces.

  10. Exotic Paired States with Anisotropic Spin-Dependent Fermi Surfaces

    SciTech Connect

    Feiguin, Adrian E.; Fisher, Matthew P. A.

    2009-07-10

    We propose a model for realizing exotic paired states in cold Fermi gases by using a spin-dependent optical lattice to engineer mismatched Fermi surfaces for each hyperfine species. The BCS phase diagram shows a stable paired superfluid state with coexisting pockets of momentum space with gapless unpaired carriers, similar to the Sarma state in polarized mixtures, but in our case the system is unpolarized. We propose the possible existence of an exotic 'Cooper-pair Bose-metal' phase, which has a gap for single fermion excitations but gapless and uncondensed 'Cooper-pair' excitations residing on a 'Bose surface' in momentum space.

  11. Configuration-constrained cranking Hartree-Fock pairing calculations for sidebands of nuclei

    NASA Astrophysics Data System (ADS)

    Liang, W. Y.; Jiao, C. F.; Wu, Q.; Fu, X. M.; Xu, F. R.

    2015-12-01

    Background: Nuclear collective rotations have been successfully described by the cranking Hartree-Fock-Bogoliubov (HFB) model. However, for rotational sidebands which are built on intrinsic excited configurations, it may not be easy to find converged cranking HFB solutions. The nonconservation of the particle number in the BCS pairing is another shortcoming. To improve the pairing treatment, a particle-number-conserving (PNC) pairing method was suggested. But the existing PNC calculations were performed within a phenomenological one-body potential (e.g., Nilsson or Woods-Saxon) in which one has to deal the double-counting problem. Purpose: The present work aims at an improved description of nuclear rotations, particularly for the rotations of excited configurations, i.e., sidebands. Methods: We developed a configuration-constrained cranking Skyrme Hartree-Fock (SHF) calculation with the pairing correlation treated by the PNC method. The PNC pairing takes the philosophy of the shell model which diagonalizes the Hamiltonian in a truncated model space. The cranked deformed SHF basis provides a small but efficient model space for the PNC diagonalization. Results: We have applied the present method to the calculations of collective rotations of hafnium isotopes for both ground-state bands and sidebands, reproducing well experimental observations. The first up-bendings observed in the yrast bands of the hafnium isotopes are reproduced, and the second up-bendings are predicted. Calculations for rotational bands built on broken-pair excited configurations agree well with experimental data. The band-mixing between two Kπ=6+ bands observed in 176Hf and the K purity of the 178Hf rotational state built on the famous 31 yr Kπ=16+ isomer are discussed. Conclusions: The developed configuration-constrained cranking calculation has been proved to be a powerful tool to describe both the yrast bands and sidebands of deformed nuclei. The analyses of rotational moments of inertia

  12. Transition State in DNA Polymerase β Catalysis: Rate-Limiting Chemistry Altered by Base-Pair Configuration

    PubMed Central

    2015-01-01

    Kinetics studies of dNTP analogues having pyrophosphate-mimicking β,γ-pCXYp leaving groups with variable X and Y substitution reveal striking differences in the chemical transition-state energy for DNA polymerase β that depend on all aspects of base-pairing configurations, including whether the incoming dNTP is a purine or pyrimidine and if base-pairings are right (T•A and G•C) or wrong (T•G and G•T). Brønsted plots of the catalytic rate constant (log(kpol)) versus pKa4 for the leaving group exhibit linear free energy relationships (LFERs) with negative slopes ranging from −0.6 to −2.0, consistent with chemical rate-determining transition-states in which the active-site adjusts to charge-stabilization demand during chemistry depending on base-pair configuration. The Brønsted slopes as well as the intercepts differ dramatically and provide the first direct evidence that dNTP base recognition by the enzyme–primer–template complex triggers a conformational change in the catalytic region of the active-site that significantly modifies the rate-determining chemical step. PMID:24580380

  13. Scale-dependent CMB asymmetry from primordial configuration

    SciTech Connect

    Kohri, Kazunori; Lin, Chia-Min; Matsuda, Tomohiro E-mail: lin@chuo-u.ac.jp

    2014-08-01

    We demonstrate that a topological defect can explain the hemispherical power asymmetry of the CMB. The first point is that a defect configuration, which already exists prior to inflation, can source asymmetry of the CMB. The second point is that modulation mechanisms, such as the curvaton and other modulation mechanisms, can explain scale-dependence of the asymmetry. Using a simple analysis of the δ N formalism, we show models in which scale-dependent hemispherical power asymmetry is explained by primordial configuration of a defect.

  14. Configuration-dependent electronic and magnetic properties of graphene monolayers and nanoribbons functionalized with aryl groups

    SciTech Connect

    Tian, Xiaoqing Gu, Juan; Xu, Jian-bin

    2014-01-28

    Graphene monolayers functionalized with aryl groups exhibit configuration-dependent electronic and magnetic properties. The aryl groups were adsorbed in pairs of neighboring atoms in the same sublattice A (different sublattices) of graphene monolayers, denoted as the M{sub 2}{sup AA} (M{sub 2}{sup AB}) configuration. The M{sub 2}{sup AA} configuration behaved as a ferromagnetic semiconductor. The band gaps for the majority and minority bands were 1.1 eV and 1.2 eV, respectively. The M{sub 2}{sup AB} configuration behaved as a nonmagnetic semiconductor with a band gap of 0.8 eV. Each aryl group could induce 1 Bohr magneton (μ{sub B}) into the molecule-graphene system. Armchair graphene nanoribbons (GNRs) exhibited the same configuration-dependent magnetic properties as the graphene monolayers. The net spin of the functionalized zigzag GNRs was mainly localized on the edges demonstrating an adsorption site-dependent magnetism. For the zigzag GNRs, both the M{sub 2}{sup AA} and M{sub 2}{sup AB} configurations possibly had a magnetic moment. Each aryl group could induce 1.5–3.5 μ{sub B} into the molecule-graphene system. There was a metal-to-insulator transition after adsorption of the aryl groups for the zigzag GNRs.

  15. String pair production in a time-dependent gravitational field

    SciTech Connect

    Tolley, Andrew J.; Wesley, Daniel H.

    2005-12-15

    We study the pair creation of point particles and strings in a time-dependent, weak gravitational field. We find that, for massive string states, there are surprising and significant differences between the string and point-particle results. Central to our approach is the fact that a weakly curved spacetime can be represented by a coherent state of gravitons, and therefore we employ standard techniques in string perturbation theory. String and point-particle pairs are created through tree-level interactions between the background gravitons. In particular, we focus on the production of excited string states and perform explicit calculations of the production of a set of string states of arbitrary excitation level. The differences between the string and point-particle results may contain important lessons for the pair production of strings in the strong gravitational fields of interest in cosmology and black hole physics.

  16. The multi-configurational time-dependent Hartree approach revisited.

    PubMed

    Manthe, Uwe

    2015-06-28

    The multi-configurational time-dependent Hartree (MCTDH) approach facilitates accurate high-dimensional quantum dynamics simulations. In the approach, the wavefunction is expanded in a direct product of self-adapting time-dependent single-particle functions (SPFs). The equations of motion for the expansion coefficients and the SPFs are obtained via the Dirac-Frenkel variational principle. While this derivation yields well-defined differential equations for the motion of occupied SPFs, singularities in the working equations resulting from unoccupied SPFs have to be removed by a regularization procedure. Here, an alternative derivation of the MCTDH equations of motion is presented. It employs an analysis of the time-dependence of the single-particle density matrices up to second order. While the analysis of the first order terms yields the known equations of motion for the occupied SPFs, the analysis of the second order terms provides new equations which allow one to identify optimal choices for the unoccupied SPFs. The effect of the optimal choice of the unoccupied SPFs on the structure of the MCTDH equations of motion and their regularization is discussed. Generalized equations applicable in the multi-layer MCTDH framework are presented. Finally, the effects resulting from the initial choice of the unoccupied SPFs are illustrated by a simple numerical example. PMID:26133412

  17. The multi-configurational time-dependent Hartree approach revisited

    SciTech Connect

    Manthe, Uwe

    2015-06-28

    The multi-configurational time-dependent Hartree (MCTDH) approach facilitates accurate high-dimensional quantum dynamics simulations. In the approach, the wavefunction is expanded in a direct product of self-adapting time-dependent single-particle functions (SPFs). The equations of motion for the expansion coefficients and the SPFs are obtained via the Dirac-Frenkel variational principle. While this derivation yields well-defined differential equations for the motion of occupied SPFs, singularities in the working equations resulting from unoccupied SPFs have to be removed by a regularization procedure. Here, an alternative derivation of the MCTDH equations of motion is presented. It employs an analysis of the time-dependence of the single-particle density matrices up to second order. While the analysis of the first order terms yields the known equations of motion for the occupied SPFs, the analysis of the second order terms provides new equations which allow one to identify optimal choices for the unoccupied SPFs. The effect of the optimal choice of the unoccupied SPFs on the structure of the MCTDH equations of motion and their regularization is discussed. Generalized equations applicable in the multi-layer MCTDH framework are presented. Finally, the effects resulting from the initial choice of the unoccupied SPFs are illustrated by a simple numerical example.

  18. Variational multiparticle-multihole configuration mixing method applied to pairing correlations in nuclei

    SciTech Connect

    Pillet, N.; Berger, J.-F.; Caurier, E.

    2008-08-15

    Applying a variational multiparticle-multihole configuration mixing method whose purpose is to include correlations beyond the mean field in a unified way without particle number and Pauli principle violations, we investigate pairing-like correlations in the ground states of {sup 116}Sn, {sup 106}Sn, and {sup 100}Sn. The same effective nucleon-nucleon interaction, namely, the D1S parametrization of the Gogny force, is used to derive both the mean field and correlation components of nuclear wave functions. Calculations are performed using an axially symmetric representation. The structure of correlated wave functions, their convergence with respect to the number of particle-hole excitations, and the influence of correlations on single-particle level spectra and occupation probabilities are analyzed and compared with results obtained with the same two-body effective interaction from BCS, Hartree-Fock-Bogoliubov, and particle number projected after variation BCS approaches. Calculations of nuclear radii and the first theoretical excited 0{sup +} states are compared with experimental data.

  19. Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly occupied configuration interaction.

    PubMed

    Shepherd, James J; Henderson, Thomas M; Scuseria, Gustavo E

    2016-03-01

    Over the past few years, pair coupled cluster doubles (pCCD) has shown promise for the description of strong correlation. This promise is related to its apparent ability to match results from doubly occupied configuration interaction (DOCI), even though the latter method has exponential computational cost. Here, by modifying the full configuration interaction quantum Monte Carlo algorithm to sample only the seniority zero sector of Hilbert space, we show that the DOCI and pCCD energies are in agreement for a variety of 2D Hubbard models, including for systems well out of reach for conventional configuration interaction algorithms. Our calculations are aided by the sign problem being much reduced in the seniority zero space compared with the full space. We present evidence for this and then discuss the sign problem in terms of the wave function of the system which appears to have a simplified sign structure. PMID:26957162

  20. Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly occupied configuration interaction

    NASA Astrophysics Data System (ADS)

    Shepherd, James J.; Henderson, Thomas M.; Scuseria, Gustavo E.

    2016-03-01

    Over the past few years, pair coupled cluster doubles (pCCD) has shown promise for the description of strong correlation. This promise is related to its apparent ability to match results from doubly occupied configuration interaction (DOCI), even though the latter method has exponential computational cost. Here, by modifying the full configuration interaction quantum Monte Carlo algorithm to sample only the seniority zero sector of Hilbert space, we show that the DOCI and pCCD energies are in agreement for a variety of 2D Hubbard models, including for systems well out of reach for conventional configuration interaction algorithms. Our calculations are aided by the sign problem being much reduced in the seniority zero space compared with the full space. We present evidence for this and then discuss the sign problem in terms of the wave function of the system which appears to have a simplified sign structure.

  1. Spatial dependence of the pairing gap in superfluid nuclei

    SciTech Connect

    Vigezzi, E.; Pastore, A.; Potel, G.; Barranco, F.

    2009-05-04

    The spatial structure of pairing correlations in {sup 120}Sn is investigated making use of both the bare nucleon-nucleon potential and the interaction induced by the exchange of collective vibrations, taking into account self-energy effects. The resulting pairing gap is strongly peaked on the nuclear surface.

  2. Configuration coordinate energy level diagrams of intervalence and metal-to-metal charge transfer states of dopant pairs in solids.

    PubMed

    Barandiarán, Zoila; Meijerink, Andries; Seijo, Luis

    2015-08-14

    Configuration coordinate diagrams, which are normally used in a qualitative manner for the energy levels of active centers in phosphors, are quantitatively obtained here for intervalence charge transfer (IVCT) states of mixed valence pairs and metal-to-metal charge transfer (MMCT) states of heteronuclear pairs, in solid hosts. The procedure relies on vibrational frequencies and excitation energies of single-ion active centers, and on differences between ion-ligand distances of the donor and the acceptor, which are attainable empirically or through ab initio calculations. The configuration coordinate diagrams of the Yb(2+)/Yb(3+) mixed-valence pair in Yb-doped YAG and the Ce(3+)/Yb(3+) heteronuclear pair in Ce,Yb-codoped YAG, are obtained and described. They are drawn from empirical data of the single-ions and their usefulness is discussed. The first diagram suggests that IVCT states of Yb(2+)/Yb(3+) pairs may play an important role in the quenching of the Yb(3+) emission and it provides the details of the quenching mechanism. The second diagram supports the interpretation recently given for the energy transfer from Ce(3+) to Yb(3+) in Ce,Yb-codoped YAG via a MMCT Ce(4+)-Yb(2+) state and it provides the details. The analyses of the two diagrams suggest the formation of Yb(2+)/Yb(3+) pairs after the Ce(3+)-to-Yb(3+) MMCT, which is responsible for the temperature quenching of the Yb(3+) emission excited via Ce(3+) (4f → 5d) absorption in Ce,Yb-codoped YAG. PMID:26159813

  3. [Structural and energetic properties of the four configurations of the A.T and G.C DNA base pairs].

    PubMed

    Brovarets', O O

    2013-01-01

    Using the methods of non-empirical quantum chemistry at the MP2/6-311++G(2df,pd)// B3LYP/6-311++G(d,p) level of theory it was established for the first time, that Hoogsteen, reverse Hoogsteen, Watson-Crick and reverse Watson-Crick configurations of the A.T and G.C DNA base pairs are isoelectronic and isomorphic structures with similar dynamic properties. Based on these results, non-ionisation mechanism of the Hoogsteen <"breathing" of the G*.C* DNA base pair, namely transformation of the tautomerised (Lowdin's) G-C base pair with Watson-Crick geometry into the Hoogsteen electroneutral G*.C* H base pair stabilized by the three O6H...N4, N3H...N7 and C8H...02 H-bonds, was postulated. It is suggested that such scenario activates only in those cases, when DNA is not located in aqueous solution, but works together with proteins and cytosine protonation at the N3 atom is precluded. PMID:24319980

  4. On the effect of time-dependent inhomogeneous magnetic fields in electron-positron pair production

    NASA Astrophysics Data System (ADS)

    Kohlfürst, Christian; Alkofer, Reinhard

    2016-05-01

    Electron-positron pair production in space- and time-dependent electromagnetic fields is investigated. Especially, the influence of a time-dependent, inhomogeneous magnetic field on the particle momenta and the total particle yield is analyzed for the first time. The role of the Lorentz invariant E2 -B2, including its sign and local values, in the pair creation process is emphasized.

  5. Chain-configuration dependent rheological properties in transient networks

    NASA Astrophysics Data System (ADS)

    Sing, Michelle; Wang, Zhen-Gang; McKinley, Gareth; Olsen, Bradley

    2014-03-01

    Complex associative networks capable of shear thinning followed by recovery on the order of seconds are of interest as injectable biomaterials. However, there is a limited understanding of the molecular mechanisms that contribute to rheological properties such as the network's yield stress and rate of self-healing. Here we present a transient network theory for associative physical gels arising from the chemical kinetic form of the Smoluchowski Equation capable of modeling the full chain end-to-end distance distribution while tracking the fraction of looped, bridged, and free chain configurations in the gel. By varying the equilibrium association rate relative to the material relaxation time, we are able to track the evolution of loop and bridge chain fraction as the system undergoes stress instabilities. We have evidence that these instabilities result from non-monotonic trends in loop and bridge chain fraction when the end group association rate is high relative to the dissociation rate. This behavior provides insight into the complex kinetic interactions responsible for certain mechanical behaviors while serving as a valuable predictive tool for gel design. Institute for Soldier Nanotechnologies, Department of Defense National Defense Science and Engineering Fellowship Program

  6. Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densities

    NASA Astrophysics Data System (ADS)

    Banerjee, Atreyee; Nandi, Manoj Kumar; Sastry, Srikanth; Bhattacharyya, Sarika Maitra

    2016-07-01

    In this paper, we present a study of supercooled liquids interacting with the Lennard Jones potential and the corresponding purely repulsive (Weeks-Chandler-Andersen) potential, over a range of densities and temperatures, in order to understand the origin of their different dynamics in spite of their structures being similar. Using the configurational entropy as the thermodynamic marker via the Adam Gibbs relation, we show that the difference in the dynamics of these two systems at low temperatures can be explained from thermodynamics. At higher densities both the thermodynamical and dynamical difference between these model systems decrease, which is quantitatively demonstrated in this paper by calculating different parameters. The study also reveals the origin of the difference in pair entropy despite the similarity in the structure. Although the maximum difference in structure is obtained in the partial radial distribution function of the B type of particles, the rdf of AA pairs and AB pairs gives rise to the differences in the entropy and dynamics. This work supports the observation made in an earlier study [A. Banerjee et al., Phys. Rev. Lett. 113, 225701 (2014)] and shows that they are generic in nature, independent of density.

  7. Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densities.

    PubMed

    Banerjee, Atreyee; Nandi, Manoj Kumar; Sastry, Srikanth; Bhattacharyya, Sarika Maitra

    2016-07-21

    In this paper, we present a study of supercooled liquids interacting with the Lennard Jones potential and the corresponding purely repulsive (Weeks-Chandler-Andersen) potential, over a range of densities and temperatures, in order to understand the origin of their different dynamics in spite of their structures being similar. Using the configurational entropy as the thermodynamic marker via the Adam Gibbs relation, we show that the difference in the dynamics of these two systems at low temperatures can be explained from thermodynamics. At higher densities both the thermodynamical and dynamical difference between these model systems decrease, which is quantitatively demonstrated in this paper by calculating different parameters. The study also reveals the origin of the difference in pair entropy despite the similarity in the structure. Although the maximum difference in structure is obtained in the partial radial distribution function of the B type of particles, the rdf of AA pairs and AB pairs gives rise to the differences in the entropy and dynamics. This work supports the observation made in an earlier study [A. Banerjee et al., Phys. Rev. Lett. 113, 225701 (2014)] and shows that they are generic in nature, independent of density. PMID:27448891

  8. Inversion of the Odd-Even Effect in Cold Fission from the Time-Dependent Pairing Equations

    NASA Astrophysics Data System (ADS)

    Mirea, M.

    2016-06-01

    A peculiar phenomenon was observed experimentally in cold fission: the odd partition yields are favored over the even ones for excitations energies of the fragments smaller than 4 MeV. In this contribution, a microscopic model is proposed for the explanation of this odd-even effect in cold fission. This explanation is based on a mixing configuration mechanism that is produced during the fission process. This configuration mixing mechanism is obtained dynamically by solving a the generalized system of time-dependent pairing equations, which include a pair-breaking effect. The time dependent equations of motion for the pair breaking effect were corroborated with a condition that fixes dynamically the number of particles on the two fission fragment. The single particle level scheme was calculated with the Woods-Saxon superasymmetric two center shell model, providing a continuous variation of the single particle energies and of the wave functions from one nucleus up to two separated fragments. A first rule can be extracted from this model. The even-even fission products cannot be obtained at zero excitation energies because of the existence of dynamical excitations produced in the avoided- level-crossing regions when the nuclear system deforms slowly.

  9. Generation of non-classical correlated photon pairs via a ladder-type atomic configuration: theory and experiment.

    PubMed

    Ding, Dong-Sheng; Zhou, Zhi-Yuan; Shi, Bao-Sen; Zou, Xu-Bo; Guo, Guang-Can

    2012-05-01

    We experimentally generate a non-classical correlated two-color photon pair at 780 and 1529.4 nm in a ladder-type configuration using a hot 85Rb atomic vapor with the production rate of ~10(7)/s. The non-classical correlation between these two photons is demonstrated by strong violation of Cauchy-Schwarz inequality by the factor R = 48 ± 12. Besides, we experimentally investigate the relations between the correlation and some important experimental parameters such as the single-photon detuning, the powers of pumps. We also make a theoretical analysis in detail and the theoretical predictions are in reasonable agreement with our experimental results. PMID:22565763

  10. ON THE ORBITAL EVOLUTION OF A GIANT PLANET PAIR EMBEDDED IN A GASEOUS DISK. II. A SATURN-JUPITER CONFIGURATION

    SciTech Connect

    Zhang Hui; Zhou Jilin

    2010-08-10

    We carry out a series of high-resolution (1024 x 1024) hydrodynamic simulations to investigate the orbital evolution of a Saturn-Jupiter pair embedded in a gaseous disk. This work extends the results of our previous work by exploring a different orbital configuration-Jupiter lies outside Saturn (q < 1, where q {identical_to} M{sub i} /M{sub o} is the mass ratio of the inner planet and the outer one). We focus on the effects of different initial separations (d) between the two planets and the various surface density profiles of the disk, where {sigma} {proportional_to} r {sup -}{alpha}. We also compare the results of different orbital configurations of the planet pair. Our results show that (1) when the initial separation is relatively large (d>d {sub iLr}, where d {sub iLr} is the distance between Jupiter and its first inner Lindblad resonance), the two planets undergo divergent migration. However, the inward migration of Saturn could be halted when Jupiter compresses the inner disk in which Saturn is embedded. (2) Convergent migration occurs when the initial separation is smaller (d < d {sub iLr}) and the density slope of the disk is nearly flat ({alpha} < 1/2). Saturn is then forced by Jupiter to migrate inward where the two planets are trapped into mean motion resonances (MMRs), and Saturn may get very close to the central star. (3) In the case of q < 1, the eccentricity of Saturn could be excited to a very high value (e{sub S} {approx} 0.4-0.5) by the MMRs and the system could maintain stability. These results explain the formation of MMRs in the exoplanet systems where the outer planet is more massive than the inner one. It also helps us to understand the origin of the 'hot Jupiter/Saturn' with a highly eccentric orbit.

  11. Magnetic configuration dependence of magnetoresistance in a Fe-porphyrin-like carbon nanotube spintronic device

    SciTech Connect

    Zeng, Jing; Chen, Ke-Qiu

    2014-01-20

    By using nonequilibrium Green's functions in combination with the density functional theory, we investigate the spin-dependent transport properties in a Fe-porphyrin-like carbon nanotube spintronic device. The results show that magnetoresistance ratio is strongly dependent on the magnetic configuration of the Fe-porphyrin-like carbon nanotube. Under the application of the external magnetic field, the magnetoresistance ratio of the device can be increased from about 19% to about 1020% by tuning the magnetic configuration in the device. Our results confirm that the magnetic configuration is a key factor for obtaining a high-performance spintronic device.

  12. A theoretical method to compute sequence dependent configurational properties in charged polymers and proteins

    SciTech Connect

    Sawle, Lucas; Ghosh, Kingshuk

    2015-08-28

    A general formalism to compute configurational properties of proteins and other heteropolymers with an arbitrary sequence of charges and non-uniform excluded volume interaction is presented. A variational approach is utilized to predict average distance between any two monomers in the chain. The presented analytical model, for the first time, explicitly incorporates the role of sequence charge distribution to determine relative sizes between two sequences that vary not only in total charge composition but also in charge decoration (even when charge composition is fixed). Furthermore, the formalism is general enough to allow variation in excluded volume interactions between two monomers. Model predictions are benchmarked against the all-atom Monte Carlo studies of Das and Pappu [Proc. Natl. Acad. Sci. U. S. A. 110, 13392 (2013)] for 30 different synthetic sequences of polyampholytes. These sequences possess an equal number of glutamic acid (E) and lysine (K) residues but differ in the patterning within the sequence. Without any fit parameter, the model captures the strong sequence dependence of the simulated values of the radius of gyration with a correlation coefficient of R{sup 2} = 0.9. The model is then applied to real proteins to compare the unfolded state dimensions of 540 orthologous pairs of thermophilic and mesophilic proteins. The excluded volume parameters are assumed similar under denatured conditions, and only electrostatic effects encoded in the sequence are accounted for. With these assumptions, thermophilic proteins are found—with high statistical significance—to have more compact disordered ensemble compared to their mesophilic counterparts. The method presented here, due to its analytical nature, is capable of making such high throughput analysis of multiple proteins and will have broad applications in proteomic studies as well as in other heteropolymeric systems.

  13. A theoretical method to compute sequence dependent configurational properties in charged polymers and proteins

    NASA Astrophysics Data System (ADS)

    Sawle, Lucas; Ghosh, Kingshuk

    2015-08-01

    A general formalism to compute configurational properties of proteins and other heteropolymers with an arbitrary sequence of charges and non-uniform excluded volume interaction is presented. A variational approach is utilized to predict average distance between any two monomers in the chain. The presented analytical model, for the first time, explicitly incorporates the role of sequence charge distribution to determine relative sizes between two sequences that vary not only in total charge composition but also in charge decoration (even when charge composition is fixed). Furthermore, the formalism is general enough to allow variation in excluded volume interactions between two monomers. Model predictions are benchmarked against the all-atom Monte Carlo studies of Das and Pappu [Proc. Natl. Acad. Sci. U. S. A. 110, 13392 (2013)] for 30 different synthetic sequences of polyampholytes. These sequences possess an equal number of glutamic acid (E) and lysine (K) residues but differ in the patterning within the sequence. Without any fit parameter, the model captures the strong sequence dependence of the simulated values of the radius of gyration with a correlation coefficient of R2 = 0.9. The model is then applied to real proteins to compare the unfolded state dimensions of 540 orthologous pairs of thermophilic and mesophilic proteins. The excluded volume parameters are assumed similar under denatured conditions, and only electrostatic effects encoded in the sequence are accounted for. With these assumptions, thermophilic proteins are found—with high statistical significance—to have more compact disordered ensemble compared to their mesophilic counterparts. The method presented here, due to its analytical nature, is capable of making such high throughput analysis of multiple proteins and will have broad applications in proteomic studies as well as in other heteropolymeric systems.

  14. Time-dependent behavior of active galactic nuclei with pair production

    NASA Technical Reports Server (NTRS)

    Li, H.; Dermer, C. D.

    1994-01-01

    We study the properties of coupled partial differential equations describing the time-dependent behavior of the photon and electron occupation numbers for conditions likely to be found near active galactic nuclei (AGN). The processes governing electron acceleration are modeled by a stochastic accelerator, and we include acceleration by Alfvenic and whistler turbulence. The acceleration of electrons is limited by Compton and synchrotron losses, and the number density of electrons depends on pair production and annihilation processes. We also treat particle escape from the system. We examine the steady, (possibly) oscillatory, and unstable solutions that arise for various choices of parameters. We examine instabilities related to pair production and trapping and consider the formation of pair jets.

  15. Pairing context determines condition-dependence of song rate in a monogamous passerine bird

    PubMed Central

    David, Morgan; Auclair, Yannick; Dall, Sasha R. X.; Cézilly, Frank

    2013-01-01

    Condition-dependence of male ornaments is thought to provide honest signals on which females can base their sexual choice for genetic quality. Recent studies show that condition-dependence patterns can vary within populations. Although long-term association is thought to promote honest signalling, no study has explored the influence of pairing context on the condition-dependence of male ornaments. In this study, we assessed the influence of natural variation in body condition on song rate in zebra finches (Taeniopygia guttata) in three different situations: during short and long encounters with an unfamiliar female, and within heterosexual mated pairs. We found consistent individual differences in male directed and undirected song rate. Moreover, body condition had a positive effect on song rate in paired males. However, male song rate was not influenced by body condition during short or long encounters with unfamiliar females. Song rate appears to be an unreliable signal of condition to prospective females as even poor-condition birds can cheat and sing at a high rate. By contrast, paired females can reliably use song rate to assess their mate's body condition, and possibly the genetic quality. We propose that species' characteristics, such as mating system, should be systematically taken into account to generate relevant hypotheses about the evolution of condition-dependent male ornaments. PMID:23256191

  16. Multi-configuration time-dependent density-functional theory based on range separation.

    PubMed

    Fromager, Emmanuel; Knecht, Stefan; Jensen, Hans Jørgen Aa

    2013-02-28

    Multi-configuration range-separated density-functional theory is extended to the time-dependent regime. An exact variational formulation is derived. The approximation, which consists in combining a long-range Multi-Configuration-Self-Consistent Field (MCSCF) treatment with an adiabatic short-range density-functional (DFT) description, is then considered. The resulting time-dependent multi-configuration short-range DFT (TD-MC-srDFT) model is applied to the calculation of singlet excitation energies in H2, Be, and ferrocene, considering both short-range local density (srLDA) and generalized gradient (srGGA) approximations. As expected, when modeling long-range interactions with the MCSCF model instead of the adiabatic Buijse-Baerends density-matrix functional as recently proposed by Pernal [J. Chem. Phys. 136, 184105 (2012)], the description of both the 1(1)D doubly-excited state in Be and the 1(1)Σu(+) state in the stretched H2 molecule are improved, although the latter is still significantly underestimated. Exploratory TD-MC-srDFT/GGA calculations for ferrocene yield in general excitation energies at least as good as TD-DFT using the Coulomb attenuated method based on the three-parameter Becke-Lee-Yang-Parr functional (TD-DFT/CAM-B3LYP), and superior to wave-function (TD-MCSCF, symmetry adapted cluster-configuration interaction) and TD-DFT results based on LDA, GGA, and hybrid functionals. PMID:23464134

  17. ON THE ORBITAL EVOLUTION OF A GIANT PLANET PAIR EMBEDDED IN A GASEOUS DISK. I. JUPITER-SATURN CONFIGURATION

    SciTech Connect

    Zhang Hui; Zhou Jilin

    2010-05-01

    We carry out a series of high-resolution (1024 x 1024) hydrodynamical simulations to investigate the orbital evolution of Jupiter and Saturn embedded in a gaseous protostellar disk. Our work extends the results in the classical papers of Masset and Snellgrove and Morbidelli and Crida by exploring various surface density profiles ({sigma}), where {sigma} {proportional_to} r {sup -{alpha}}. The stability of the mean motion resonances (MMRs) caused by the convergent migration of the two planets is studied as well. Our results show that (1) the gap formation process of Saturn is greatly delayed by the tidal perturbation of Jupiter. These perturbations cause inward or outward runaway migration of Saturn, depending on the density profiles on the disk. (2) The convergent migration rate increases as {alpha} increases and the type of MMRs depends on {alpha} as well. When 0 < {alpha} < 1, the convergent migration speed of Jupiter and Saturn is relatively slow, thus they are trapped into 2:1 MMR. When {alpha}>4/3, Saturn passes through the 2:1 MMR with Jupiter and is captured into the 3:2 MMR. (3) The 3:2 MMR turns out to be unstable when the eccentricity of Saturn (e{sub s} ) increases too high. The critical value above which instability will set in is e{sub s} {approx} 0.15. We also observe that the two planets are trapped into 2:1 MMR after the break of 3:2 MMR. This process may provide useful information for the formation of orbital configuration between Jupiter and Saturn in the solar system.

  18. Two methods for restricted configuration spaces within the multiconfiguration time-dependent Hartree-Fock method

    NASA Astrophysics Data System (ADS)

    Haxton, Daniel J.; McCurdy, C. William

    2015-01-01

    The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method has shown promise in calculating electronic dynamics in molecules driven by strong and high-energy lasers. It must incorporate restricted configuration spaces (meaning that a particular combination of Slater determinants is used, instead of full configuration interaction) to be applied to big systems. Two different Ansätze are used to determine the essential term in the equations. The first Ansatz is the Lagrangian variational principle. The explicit, complete MCTDHF equations of motion, satisfying that principle, for arbitrary configuration spaces, are given. The property that a restricted configuration list must satisfy in order for the Lagrangian and McLachlan variational principles to give different results is identified. The second Ansatz keeps the density matrix block diagonal among equivalent orbitals, in a generalization of the method of Worth [J. Chem. Phys. 112, 8322 (2000), 10.1063/1.481438]. The methods perform well in calculating the dynamics of Be and BC2 + subject to ultrafast, ultrastrong lasers in severely truncated Hilbert spaces, although they exhibit differing degrees of numerical stability as implemented.

  19. Brain State-Dependent Closed-Loop Modulation of Paired Associative Stimulation Controlled by Sensorimotor Desynchronization

    PubMed Central

    Royter, Vladislav; Gharabaghi, Alireza

    2016-01-01

    Background: Pairing peripheral electrical stimulation (ES) and transcranial magnetic stimulation (TMS) increases corticospinal excitability when applied with a specific temporal pattern. When the two stimulation techniques are applied separately, motor imagery (MI)-related oscillatory modulation amplifies both ES-related cortical effects—sensorimotor event-related desynchronization (ERD), and TMS-induced peripheral responses—motor-evoked potentials (MEP). However, the influence of brain self-regulation on the associative pairing of these stimulation techniques is still unclear. Objective: The aim of this pilot study was to investigate the effects of MI-related ERD during associative ES and TMS on subsequent corticospinal excitability. Method: The paired application of functional electrical stimulation (FES) of the extensor digitorum communis (EDC) muscle and subsequent single-pulse TMS (110% resting motor threshold (RMT)) of the contralateral primary motor cortex (M1) was controlled by beta-band (16–22 Hz) ERD during MI of finger extension and applied within a brain-machine interface environment in six healthy subjects. Neural correlates were probed by acquiring the stimulus-response curve (SRC) of both MEP peak-to-peak amplitude and area under the curve (AUC) before and after the intervention. Result: The application of approximately 150 pairs of associative FES and TMS resulted in a significant increase of MEP amplitudes and AUC, indicating that the induced increase of corticospinal excitability was mediated by the recruitment of additional neuronal pools. MEP increases were brain state-dependent and correlated with beta-band ERD, but not with the background EDC muscle activity; this finding was independent of the FES intensity applied. Conclusion: These results could be relevant for developing closed-loop therapeutic approaches such as the application of brain state-dependent, paired associative stimulation (PAS) in the context of neurorehabilitation. PMID

  20. Effect of isospin dependence of radius on transverse flow and fragmentation in isobaric pairs

    NASA Astrophysics Data System (ADS)

    Gautam, Sakshi

    2013-11-01

    We study the role of nuclear structure effects through radius in reaction dynamics via transverse flow and multifragmentation of isobaric colliding pairs. Our study reveals that isospin-dependent radius [proposed by Royer and Rousseau [Eur. Phys. J. A10.1140/epja/i2008-10745-8 42, 541 (2009)] has significant effect towards isospin effects. The collective flow behavior and fragmentation pattern of neutron-rich system with respect to neutron-deficient system is found to get reversed with isospin-dependent radius compared to that with liquid drop radius.

  1. X-point position dependence of edge intrinsic toroidal rotation on the Tokamak à Configuration Variable

    SciTech Connect

    Stoltzfus-Dueck, T.; Karpushov, A. N.; Sauter, O.; Duval, B. P.; Labit, B.; Reimerdes, H.; Vijvers, W. A. J.; Camenen, Y.

    2015-05-15

    Recent theoretical work predicts intrinsic toroidal rotation in the tokamak edge to depend strongly on the normalized major radial position of the X-point. With this motivation, we conducted a series of Ohmic L-mode shots on the Tokamak à Configuration Variable, moving the X-point from the inboard to the outboard edge of the last closed flux surface in both lower and upper single null configurations. The edge toroidal rotation evolved from strongly co-current for an inboard X-point to either vanishing or counter-current for an outboard X-point, in agreement with the theoretical expectations. The whole rotation profile shifted roughly rigidly with the edge rotation, resulting in variation of the peak core rotation by more than a factor of two. Core rotation reversals had little effect on the edge rotation. Edge rotation was slightly more counter-current for unfavorable than favorable ∇B drift discharges.

  2. X-point position dependence of edge intrinsic toroidal rotation on the Tokamak à Configuration Variablea)

    NASA Astrophysics Data System (ADS)

    Stoltzfus-Dueck, T.; Karpushov, A. N.; Sauter, O.; Duval, B. P.; Labit, B.; Reimerdes, H.; Vijvers, W. A. J.; Camenen, Y.

    2015-05-01

    Recent theoretical work predicts intrinsic toroidal rotation in the tokamak edge to depend strongly on the normalized major radial position of the X-point. With this motivation, we conducted a series of Ohmic L-mode shots on the Tokamak à Configuration Variable, moving the X-point from the inboard to the outboard edge of the last closed flux surface in both lower and upper single null configurations. The edge toroidal rotation evolved from strongly co-current for an inboard X-point to either vanishing or counter-current for an outboard X-point, in agreement with the theoretical expectations. The whole rotation profile shifted roughly rigidly with the edge rotation, resulting in variation of the peak core rotation by more than a factor of two. Core rotation reversals had little effect on the edge rotation. Edge rotation was slightly more counter-current for unfavorable than favorable ∇B drift discharges.

  3. Single-molecule derivation of salt dependent base-pair free energies in DNA.

    PubMed

    Huguet, Josep M; Bizarro, Cristiano V; Forns, Núria; Smith, Steven B; Bustamante, Carlos; Ritort, Felix

    2010-08-31

    Accurate knowledge of the thermodynamic properties of nucleic acids is crucial to predicting their structure and stability. To date most measurements of base-pair free energies in DNA are obtained in thermal denaturation experiments, which depend on several assumptions. Here we report measurements of the DNA base-pair free energies based on a simplified system, the mechanical unzipping of single DNA molecules. By combining experimental data with a physical model and an optimization algorithm for analysis, we measure the 10 unique nearest-neighbor base-pair free energies with 0.1 kcal mol(-1) precision over two orders of magnitude of monovalent salt concentration. We find an improved set of standard energy values compared with Unified Oligonucleotide energies and a unique set of 10 base-pair-specific salt-correction values. The latter are found to be strongest for AA/TT and weakest for CC/GG. Our unique energy values and salt corrections improve predictions of DNA unzipping forces and are fully compatible with melting temperatures for oligos. The method should make it possible to obtain free energies, enthalpies, and entropies in conditions not accessible by bulk methodologies. PMID:20716688

  4. Single-molecule derivation of salt dependent base-pair free energies in DNA

    PubMed Central

    Huguet, Josep M.; Bizarro, Cristiano V.; Forns, Núria; Smith, Steven B.; Bustamante, Carlos; Ritort, Felix

    2010-01-01

    Accurate knowledge of the thermodynamic properties of nucleic acids is crucial to predicting their structure and stability. To date most measurements of base-pair free energies in DNA are obtained in thermal denaturation experiments, which depend on several assumptions. Here we report measurements of the DNA base-pair free energies based on a simplified system, the mechanical unzipping of single DNA molecules. By combining experimental data with a physical model and an optimization algorithm for analysis, we measure the 10 unique nearest-neighbor base-pair free energies with 0.1 kcal mol-1 precision over two orders of magnitude of monovalent salt concentration. We find an improved set of standard energy values compared with Unified Oligonucleotide energies and a unique set of 10 base-pair-specific salt-correction values. The latter are found to be strongest for AA/TT and weakest for CC/GG. Our unique energy values and salt corrections improve predictions of DNA unzipping forces and are fully compatible with melting temperatures for oligos. The method should make it possible to obtain free energies, enthalpies, and entropies in conditions not accessible by bulk methodologies. PMID:20716688

  5. Double ferromagnetic resonance and configuration-dependent dipolar coupling in unsaturated arrays of bistable magnetic nanowires

    NASA Astrophysics Data System (ADS)

    de La Torre Medina, J.; Piraux, L.; Olais Govea, J. M.; Encinas, A.

    2010-04-01

    The ferromagnetic resonance properties in arrays of low diameter bistable nanowires have been studied. Measurements performed in the frequency swept mode show that in nonsaturated states, wires magnetized in the positive and negative direction absorb at different frequencies giving place to spectra with two absorption peaks. Moreover, the positive and negative wires obey different dispersion relations, which allow interpreting their different frequency-field dependence in terms of the uniform precession mode. Measurements along sets of first-order reversal curves allow to determine the dipolar interaction field as a function of the magnetic state. The configuration dependence of the interaction field is found to be proportional to the value of the dipolar interaction field of the saturated state. An analytical mean-field expression, which explicitly incorporates the dependence of the interaction field with the magnetic configuration, is proposed and used to obtain a general expression for both the effective field and the dispersion relation, which describes with remarkable agreement the ferromagnetic resonance measurements in saturated and nonsaturated states.

  6. Strong field ionization rates simulated with time-dependent configuration interaction and an absorbing potential

    SciTech Connect

    Krause, Pascal; Sonk, Jason A.; Schlegel, H. Bernhard

    2014-05-07

    Ionization rates of molecules have been modeled with time-dependent configuration interaction simulations using atom centered basis sets and a complex absorbing potential. The simulations agree with accurate grid-based calculations for the ionization of hydrogen atom as a function of field strength and for charge resonance enhanced ionization of H{sub 2}{sup +} as the bond is elongated. Unlike grid-based methods, the present approach can be applied to simulate electron dynamics and ionization in multi-electron polyatomic molecules. Calculations on HCl{sup +} and HCO{sup +} demonstrate that these systems also show charge resonance enhanced ionization as the bonds are stretched.

  7. Time-dependent pairing equations for seniority-one nuclear systems

    SciTech Connect

    Mirea, M.

    2008-10-15

    When the time-dependent Hartree-Fock-Bogoliubov intrinsic equations of motion are solved in the case of seniority-one nuclear systems, the unpaired nucleon remains on the same orbital. The blocking effect hinders the possibility to skip from one orbital to another. This unpleasant feature is by-passed with a new set of pairing time-dependent equations that allows the possibility that the unpaired nucleon changes its single-particle level. These equations generalize the time-dependent Hartree-Fock-Bogoliubov equations of motion by including the Landau-Zener effect. The derivation of these new equations is presented in detail. These equations are applied to the case of a superasymmetric fission process, that is, to explain the fine structure the {sup 14}C emission from {sup 233}Ra. In this context, a new version of the Woods-Saxon model extended for two-center potentials is used.

  8. Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs.

    PubMed

    Fang, Wei; Chen, Ji; Rossi, Mariana; Feng, Yexin; Li, Xin-Zheng; Michaelides, Angelos

    2016-06-01

    Despite the inherently quantum mechanical nature of hydrogen bonding, it is unclear how nuclear quantum effects (NQEs) alter the strengths of hydrogen bonds. With this in mind, we use ab initio path integral molecular dynamics to determine the absolute contribution of NQEs to the binding in DNA base pair complexes, arguably the most important hydrogen-bonded systems of all. We find that depending on the temperature, NQEs can either strengthen or weaken the binding within the hydrogen-bonded complexes. As a somewhat counterintuitive consequence, NQEs can have a smaller impact on hydrogen bond strengths at cryogenic temperatures than at room temperature. We rationalize this in terms of a competition of NQEs between low-frequency and high-frequency vibrational modes. Extending this idea, we also propose a simple model to predict the temperature dependence of NQEs on hydrogen bond strengths in general. PMID:27195654

  9. Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs

    PubMed Central

    2016-01-01

    Despite the inherently quantum mechanical nature of hydrogen bonding, it is unclear how nuclear quantum effects (NQEs) alter the strengths of hydrogen bonds. With this in mind, we use ab initio path integral molecular dynamics to determine the absolute contribution of NQEs to the binding in DNA base pair complexes, arguably the most important hydrogen-bonded systems of all. We find that depending on the temperature, NQEs can either strengthen or weaken the binding within the hydrogen-bonded complexes. As a somewhat counterintuitive consequence, NQEs can have a smaller impact on hydrogen bond strengths at cryogenic temperatures than at room temperature. We rationalize this in terms of a competition of NQEs between low-frequency and high-frequency vibrational modes. Extending this idea, we also propose a simple model to predict the temperature dependence of NQEs on hydrogen bond strengths in general. PMID:27195654

  10. Time-Dependence of VHE Gamma-Ray induced Pair Cascades in Radio Galaxies

    NASA Astrophysics Data System (ADS)

    Roustazadeh, Parisa; Boettcher, Markus; Thrush, Samantha

    2016-04-01

    Recently, several intermediate frequency peaked BL Lac objects (IBL), low frequency peaked BL Lac objects (LBL) and flat spectrum radio quasars (FSRQ) were detected as very high energy ( VHE, E > 100 ˜ GeV) γ-ray sources. These discoveries suggest that γγ absorption and pair cascades might occur in those objects, leading to excess γ-ray emission which may be observable also in off-axis viewing directions (i.e., like in radio galaxies) when deflected by moderately strong magnetic fields. Here, we investigate the time dependence of the Compton γ-ray emission from such VHE γ-ray induced pair cascades. We show that the cascade emission is variable on time scales much shorter than the light-crossing time across the characteristic extent of the external radiation field, depending on the viewing angle and γ-ray energy. Thus, we find that the cascade Compton interpretation for the Fermi γ-ray emission from radio galaxies is still consistent with the day-scale variability detected in the Fermi γ-ray emission of radio galaxies, such as NGC 1275, which we use as a specific example.

  11. Preparation of Honeycomb SnO₂ Foams and Configuration-Dependent Microwave Absorption Features.

    PubMed

    Zhao, Biao; Fan, Bingbing; Xu, Yawei; Shao, Gang; Wang, Xiaodong; Zhao, Wanyu; Zhang, Rui

    2015-12-01

    Ordered honeycomb-like SnO2 foams were successfully synthesized by means of a template method. The honeycomb SnO2 foams were analyzed by X-ray diffraction (XRD), thermogravimetric and differential scanning calorimetry (TG-DSC), laser Raman spectra, scanning electron microscopy (SEM), and Fourier transform infrared (FT-IR). It can be found that the SnO2 foam configurations were determined by the size of polystyrene templates. The electromagnetic properties of ordered SnO2 foams were also investigated by a network analyzer. The results reveal that the microwave absorption properties of SnO2 foams were dependent on their configuration. The microwave absorption capabilities of SnO2 foams were increased by increasing the size of pores in the foam configuration. Furthermore, the electromagnetic wave absorption was also correlated with the pore contents in SnO2 foams. The large and high amounts pores can bring about more interfacial polarization and corresponding relaxation. Thus, the perfect ordered honeycomb-like SnO2 foams obtained in the existence of large amounts of 322 nm polystyrene spheres showed the outstanding electromagnetic wave absorption properties. The minimal reflection loss (RL) is -37.6 dB at 17.1 GHz, and RL less than -10 dB reaches 5.6 GHz (12.4-18.0 GHz) with thin thickness of 2.0 mm. The bandwidth (<-10 dB, 90% microwave dissipation) can be monitored in the frequency regime of 4.0-18.0 GHz with absorber thickness of 2.0-5.0 mm. The results indicate that these ordered honeycomb SnO2 foams show the superiorities of wide-band, high-efficiency absorption, multiple reflection and scatting, high antioxidation, lightweight, and thin thickness. PMID:26552325

  12. Need for space: the key distance effect depends on spatial stimulus configurations.

    PubMed

    Jonas, Melanie; Eloka, Owino; Stephan, Julia; Franz, Volker H

    2014-01-01

    In numerous psychological experiments, participants classify stimuli by pressing response keys. According to Lakens, Schneider, Jostmann, and Schubert (2011), classification performance is affected by physical distance between response keys--indicating a cognitive tendency to represent categories in spatial code. However, previous evidence for a key distance effect (KDE) from a color-naming Stroop task is inconclusive as to whether: (a) key separation automatically leads to an internal spatial representation of non-spatial stimulus characteristics in participants, or if the KDE rather depends on physical spatial characteristics of the stimulus configuration; (b) the KDE attenuates the Stroop interference effect. We therefore first adopted the original Stroop task in Experiment 1, confirming that wider key distance facilitated responses, but did not modulate the Stroop effect as was previously found. In Experiments 2 and 3 we controlled potential mediator variables in the original design. When we did not display instructions about stimulus-response mappings, thereby removing the unintended spatial context from the Stroop stimuli, no KDE emerged. Presenting the instructions at a central position in Experiment 4 confirmed that key separation alone is not sufficient for a KDE, but correspondence between spatial configurations of stimuli and responses is also necessary. Evidence indicates that the KDE on Stroop performance is due to known mechanisms of stimulus-response compatibility and response discriminability. The KDE does, however, not demonstrate a general disposition to represent any stimulus in spatial code. PMID:24642888

  13. Configuration-dependent hybridization in electron spectroscopies of Ce-based compounds

    SciTech Connect

    Witkowski, N.; Bertran, F.; Malterre, D.

    1997-12-01

    In this paper, we analyze Ce 3d core-level photoemission and inverse-photoemission spectra in the framework of the single-impurity Anderson model. We show that the Gunnarsson-Sch{umlt o}nhammer model generally used to describe spectroscopic properties of Ce-based systems cannot account for the description of core-hole photoemission and inverse-photoemission spectra with the same set of parameters. By introducing 4f configuration-dependent hybridization terms, the situation is significantly improved, and a satisfactory agreement between experimental and calculated spectra is obtained. This result shows that, in contrast to what was previously claimed for highly hybridized compounds, the spectroscopic data of cerium compounds can be described in the framework of the single-impurity Anderson model. {copyright} {ital 1997} {ital The American Physical Society}

  14. Projectile energy and atomic number dependence of electron capture from pair production in relativistic heavy ion collisions

    NASA Astrophysics Data System (ADS)

    Belkacem, A.; Gould, Harvey; Feinberg, B.; Bossingham, R.; Meyerhof, W. E.

    1994-10-01

    We report the first measurement of the energy dependence of electron capture from electron-positron pair production in relativistic heavy ion collisions. For a La57+ beam incident on Au, Ag, and Cu targets at energies of 0.405, 0.956, and 1.3 GeV/u we find that the cross sections for capture from pair production and the free pair production process increase with increasing collision energy at similar rates. Combining with uranium data reported previously gives a projectile atomic number dependence for 0.956 GeV/u ions on a Au target of Z6.54+/-0.65p for capture from pair production and Z1.53+/-0.80p for the free pair production process.

  15. A Pair of Pharyngeal Gustatory Receptor Neurons Regulates Caffeine-Dependent Ingestion in Drosophila Larvae.

    PubMed

    Choi, Jaekyun; van Giesen, Lena; Choi, Min Sung; Kang, KyeongJin; Sprecher, Simon G; Kwon, Jae Young

    2016-01-01

    The sense of taste is an essential chemosensory modality that enables animals to identify appropriate food sources and control feeding behavior. In particular, the recognition of bitter taste prevents animals from feeding on harmful substances. Feeding is a complex behavior comprised of multiple steps, and food quality is continuously assessed. We here examined the role of pharyngeal gustatory organs in ingestion behavior. As a first step, we constructed a gustatory receptor-to-neuron map of the larval pharyngeal sense organs, and examined corresponding gustatory receptor neuron (GRN) projections in the larval brain. Out of 22 candidate bitter compounds, we found 14 bitter compounds that elicit inhibition of ingestion in a dose-dependent manner. We provide evidence that certain pharyngeal GRNs are necessary and sufficient for the ingestion response of larvae to caffeine. Additionally, we show that a specific pair of pharyngeal GRNs, DP1, responds to caffeine by calcium imaging. In this study we show that a specific pair of GRNs in the pharyngeal sense organs coordinates caffeine sensing with regulation of behavioral responses such as ingestion. Our results indicate that in Drosophila larvae, the pharyngeal GRNs have a major role in sensing food palatability to regulate ingestion behavior. The pharyngeal sense organs are prime candidates to influence ingestion due to their position in the pharynx, and they may act as first level sensors of ingested food. PMID:27486388

  16. A Pair of Pharyngeal Gustatory Receptor Neurons Regulates Caffeine-Dependent Ingestion in Drosophila Larvae

    PubMed Central

    Choi, Jaekyun; van Giesen, Lena; Choi, Min Sung; Kang, KyeongJin; Sprecher, Simon G.; Kwon, Jae Young

    2016-01-01

    The sense of taste is an essential chemosensory modality that enables animals to identify appropriate food sources and control feeding behavior. In particular, the recognition of bitter taste prevents animals from feeding on harmful substances. Feeding is a complex behavior comprised of multiple steps, and food quality is continuously assessed. We here examined the role of pharyngeal gustatory organs in ingestion behavior. As a first step, we constructed a gustatory receptor-to-neuron map of the larval pharyngeal sense organs, and examined corresponding gustatory receptor neuron (GRN) projections in the larval brain. Out of 22 candidate bitter compounds, we found 14 bitter compounds that elicit inhibition of ingestion in a dose-dependent manner. We provide evidence that certain pharyngeal GRNs are necessary and sufficient for the ingestion response of larvae to caffeine. Additionally, we show that a specific pair of pharyngeal GRNs, DP1, responds to caffeine by calcium imaging. In this study we show that a specific pair of GRNs in the pharyngeal sense organs coordinates caffeine sensing with regulation of behavioral responses such as ingestion. Our results indicate that in Drosophila larvae, the pharyngeal GRNs have a major role in sensing food palatability to regulate ingestion behavior. The pharyngeal sense organs are prime candidates to influence ingestion due to their position in the pharynx, and they may act as first level sensors of ingested food. PMID:27486388

  17. Heme A synthase in bacteria depends on one pair of cysteinyls for activity.

    PubMed

    Lewin, Anna; Hederstedt, Lars

    2016-02-01

    Heme A is a prosthetic group unique for cytochrome a-type respiratory oxidases in mammals, plants and many microorganisms. The poorly understood integral membrane protein heme A synthase catalyzes the synthesis of heme A from heme O. In bacteria, but not in mitochondria, this enzyme contains one or two pairs of cysteine residues that are present in predicted hydrophilic polypeptide loops on the extracytoplasmic side of the membrane. We used heme A synthase from the eubacterium Bacillus subtilis and the hyperthermophilic archeon Aeropyrum pernix to investigate the functional role of these cysteine residues. Results with B. subtilis amino acid substituted proteins indicated the pair of cysteine residues in the loop connecting transmembrane segments I and II as being essential for catalysis but not required for binding of the enzyme substrate, heme O. Experiments with isolated A. pernix and B. subtilis heme A synthase demonstrated that a disulfide bond can form between the cysteine residues in the same loop and also between loops showing close proximity of the two loops in the folded enzyme protein. Based on the findings, we propose a classification scheme for the four discrete types of heme A synthase found so far in different organisms and propose that essential cysteinyls mediate transfer of reducing equivalents required for the oxygen-dependent catalysis of heme A synthesis from heme O. PMID:26592143

  18. Orbital Dependent Nucleonic Pairing in the Lightest Known Isotopes of Tin

    SciTech Connect

    Darby, Iain; Grzywacz, R.; Batchelder, J. C.; Bingham, C. R.; Cartegni, L.; Gross, Carl J; Liddick, Sean; Nazarewicz, Witold; Padgett, Stephen; Papenbrock, T.; Rajabali, M. M.; Rotureau, J.; Rykaczewski, Krzysztof Piotr

    2010-01-01

    By studying the {sup 109}Xe {yields} {sup 105}Te {yields} {sup 101}Sn superallowed {alpha}-decay chain, we observe low-lying states in {sup 101}Sn, the one-neutron system outside doubly magic {sup 100}Sn. We find that the spins of the ground state (J=7/2) and first excited state (J=5/2) in {sup 101}Sn are reversed with respect to the traditional level ordering postulated for {sup 103}Sn and the heavier tin isotopes. Through simple arguments and state-of-the-art shell-model calculations we explain this unexpected switch in terms of a transition from the single-particle regime to the collective mode in which orbital-dependent pairing correlations dominate.

  19. Time dependent DFT investigation of the optical properties of artificial light harvesting special pairs.

    PubMed

    Agnihotri, Neha; Steer, Ronald P

    2016-06-01

    Computational modeling of selected artificial special pairs has been carried out. The structures chosen are bio-inspired molecular models of the light harvesting system II that have been previously investigated experimentally. Time-dependent density functional theory calculations have been employed to characterize the inter-macrocycle interactions resulting from two zinc porphyrins that are covalently linked with rigid linkers that vary the inter-porphyrin distance and the inter-planar angle in a C2v framework. The effects of varying the linker structure have been explored for electronic states with energies up to and including the Soret-correlated states in the dimer. An expansion of the Gouterman four orbital model for the monomers to an eight orbital model in the dimers provides a reasonable explanation of the inter-macrocycle interactions and provides insight into their experimental properties. PMID:27212274

  20. The Change of Expression Configuration Affects Identity-Dependent Expression Aftereffect but Not Identity-Independent Expression Aftereffect

    PubMed Central

    Song, Miao; Shinomori, Keizo; Qian, Qian; Yin, Jun; Zeng, Weiming

    2015-01-01

    The present study examined the influence of expression configuration on cross-identity expression aftereffect. The expression configuration refers to the spatial arrangement of facial features in a face for conveying an emotion, e.g., an open-mouth smile vs. a closed-mouth smile. In the first of two experiments, the expression aftereffect is measured using a cross-identity/cross-expression configuration factorial design. The facial identities of test faces were the same or different from the adaptor, while orthogonally, the expression configurations of those facial identities were also the same or different. The results show that the change of expression configuration impaired the expression aftereffect when the facial identities of adaptor and tests were the same; however, the impairment effect disappears when facial identities were different, indicating the identity-independent expression representation is more robust to the change of the expression configuration in comparison with the identity-dependent expression representation. In the second experiment, we used schematic line faces as adaptors and real faces as tests to minimize the similarity between the adaptor and tests, which is expected to exclude the contribution from the identity-dependent expression representation to expression aftereffect. The second experiment yields a similar result as the identity-independent expression aftereffect observed in Experiment 1. The findings indicate the different neural sensitivities to expression configuration for identity-dependent and identity-independent expression systems. PMID:26733922

  1. Synthesizing mechanisms of density dependence in reef fishes: behavior, habitat configuration, and observational scale.

    PubMed

    White, J Wilson; Samhouri, Jameal F; Stier, Adrian C; Wormald, Clare L; Hamilton, Scott L; Sandin, Stuart A

    2010-07-01

    Coral and rocky reef fish populations are widely used as model systems for the experimental exploration of density-dependent vital rates, but patterns of density-dependent mortality in these systems are not yet fully understood. In particular, the paradigm for strong, directly density-dependent (DDD) postsettlement mortality stands in contrast to recent evidence for inversely density-dependent (IDD) mortality. We review the processes responsible for DDD and IDD per capita mortality in reef fishes, noting that the pattern observed depends on predator and prey behavior, the spatial configuration of the reef habitat, and the spatial and temporal scales of observation. Specifically, predators tend to produce DDD prey mortality at their characteristic spatial scale of foraging, but prey mortality is IDD at smaller spatial scales due to attack-abatement effects (e.g., risk dilution). As a result, DDD mortality may be more common than IDD mortality on patch reefs, which tend to constrain predator foraging to the same scale as prey aggregation, eliminating attack-abatement effects. Additionally, adjacent groups of prey on continuous reefs may share a subset of refuges, increasing per capita refuge availability and relaxing DDD mortality relative to prey on patch reefs, where the patch edge could prevent such refuge sharing. These hypotheses lead to a synthetic framework to predict expected mortality patterns for a variety of scenarios. For nonsocial, nonaggregating species and species that aggregate in order to take advantage of spatially clumped refuges, IDD mortality is possible but likely superseded by DDD refuge competition, especially on patch reefs. By contrast, for species that aggregate socially, mortality should be IDD at the scale of individual aggregations but DDD at larger scales. The results of nearly all prior reef fish studies fit within this framework, although additional work is needed to test many of the predicted outcomes. This synthesis reconciles some

  2. On mT dependence of femtoscopy scales for meson and baryon pairs

    NASA Astrophysics Data System (ADS)

    Sinyukov, Yu. M.; Shapoval, V. M.; Naboka, V. Yu.

    2016-02-01

    The mT-dependencies of the femto-scales, the so-called interferometry and source radii, are investigated within the hydrokinetic model for different types of particle pairs - pion-pion, kaon-kaon, proton-proton and proton-lambda, - produced in Pb+Pb and p + p collisions at the LHC. In particular, such property of the femto-scales momentum behavior as mT-scaling is studied for the systems with (w) and without (w/o) intensive transverse flow, and also w and w/o re-scattering at the final afterburner stage of the matter evolution. The detailed spatiotemporal description obtained within hydrokinetic model is compared with the simple analytical results for the spectra and longitudinal interferometry radii depending on the effective temperature on the hypersurface of maximal emission, proper time of such emission, and intensity of transverse flow. The derivation of the corresponding analytical formulas and discussion about a possibility for their utilization by the experimentalists for the simple femtoscopy data analysis is the main aim of this theoretical investigation.

  3. Dependence of effective internal field of congruent lithium niobate on its domain configuration and stability

    SciTech Connect

    Das, Ranjit E-mail: souvik2cat@gmail.com Ghosh, Souvik E-mail: souvik2cat@gmail.com Chakraborty, Rajib E-mail: souvik2cat@gmail.com

    2014-06-28

    Congruent lithium niobate is characterized by its internal field, which arises due to defect clusters within the crystal. Here, it is shown experimentally that this internal field is a function of the molecular configuration in a particular domain and also on the stability of that particular configuration. The measurements of internal field are done using interferometric technique, while the variation of domain configuration is brought about by room temperature high voltage electric field poling.

  4. Cultivation of nitrite-dependent anaerobic methane-oxidizing bacteria: impact of reactor configuration.

    PubMed

    Hu, Baolan; He, Zhanfei; Geng, Sha; Cai, Chen; Lou, Liping; Zheng, Ping; Xu, Xinhua

    2014-09-01

    Nitrite-dependent anaerobic methane oxidation (n-damo) is mediated by bacteria that anaerobically oxidize methane coupled with nitrite reduction and is a potential bioprocess for wastewater treatment. In this work, the effect of reactor configuration on n-damo bacterial cultivation was investigated. A magnetically stirred gas lift reactor (MSGLR), a sequencing batch reactor (SBR), and a continuously stirred tank reactor (CSTR) were selected to cultivate the bacteria. Microbial community was monitored by using quantitative PCR, 16S rRNA gene sequencing, pmoA gene sequencing, and fluorescence in situ hybridization (FISH). The effects of substrate inhibition, methane mass transfer, and biomass washout in the three reactors were focused on. The results indicated that the MSGLR had the best performance among the three reactor systems, with the highest total and specific n-damo activities. Its maximum volumetric nitrogen removal rate was up to 76.9 mg N L(-1) day(-1), which was higher than previously reported values (5.1-37.8 mg N L(-1) d(-1)). PMID:24880628

  5. Energy management of electric and hybrid vehicles dependent on powertrain configuration

    NASA Astrophysics Data System (ADS)

    Varga, Bogdan Ovidiu

    2012-06-01

    Electric and hybrid vehicles are going to become the most reliable source of transport for future years. The CO2 and NOx targets in Euro 6 normative puts the producers of vehicles in a dilemma, whether to adapt the internal combustion engines further, or to develop hybrid or electric power trains that are going to reach the pollution limit of the future norms or to go below that. Before acting a well-developed strategy in determining the optimum power flow has to be developed by producers; CRUISE software is a tool with the unique and special characteristics to determine the optimum in this highly important area. Whether electric vehicle, electric vehicle with range extender or a hybrid with CVT or planetary gearbox, the complexity of the mathematical modules remains the same, giving the developer the possibility to create complex functions and distinctive characteristics for each component of the vehicle. With such a powerful tool it becomes extremely easy to evaluate the energy flow in all directions, from electric machine to the battery, from electric machine to the power generator, and from the electric machine to the internal combustion engine. Applying to the (Electric Vehicle, Electric Vehicle with Range Extender, Hybrid vehicle with CVT, Hybrid vehicle with planetary gear set) the ECE-15 in a virtual environment (urban driving cycle) the simulation results show a different usage, rate of storage and efficiency concerning the energy, this being dependent of the power train configuration in most part.

  6. Decomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock method.

    PubMed

    Lötstedt, Erik; Kato, Tsuyoshi; Yamanouchi, Kaoru

    2016-04-21

    An approximate implementation of the multiconfiguration time-dependent Hartree-Fock method is proposed, in which the matrix of configuration-interaction coefficients is decomposed into a product of matrices of smaller dimension. The applicability of this method in which all the configurations are kept in the expansion of the wave function, while the configuration-interaction coefficients are approximately calculated, is discussed by showing the results on three model systems: a one-dimensional model of a beryllium atom, a one-dimensional model of a carbon atom, and a one-dimensional model of a chain of four hydrogen atoms. The time-dependent electronic dynamics induced by a few-cycle, long-wavelength laser pulse is found to be well described at a lower computational cost compared to the standard multiconfiguration time-dependent Hartree-Fock treatment. Drawbacks of the method are also discussed. PMID:27389213

  7. Decomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock method

    NASA Astrophysics Data System (ADS)

    Lötstedt, Erik; Kato, Tsuyoshi; Yamanouchi, Kaoru

    2016-04-01

    An approximate implementation of the multiconfiguration time-dependent Hartree-Fock method is proposed, in which the matrix of configuration-interaction coefficients is decomposed into a product of matrices of smaller dimension. The applicability of this method in which all the configurations are kept in the expansion of the wave function, while the configuration-interaction coefficients are approximately calculated, is discussed by showing the results on three model systems: a one-dimensional model of a beryllium atom, a one-dimensional model of a carbon atom, and a one-dimensional model of a chain of four hydrogen atoms. The time-dependent electronic dynamics induced by a few-cycle, long-wavelength laser pulse is found to be well described at a lower computational cost compared to the standard multiconfiguration time-dependent Hartree-Fock treatment. Drawbacks of the method are also discussed.

  8. Two-fluid temperature-dependent relativistic waves in magnetized streaming pair plasmas.

    PubMed

    Soto-Chavez, A R; Mahajan, S M; Hazeltine, R D

    2010-02-01

    A relativistic two-fluid temperature-dependent approach for a streaming magnetized pair plasma is considered. Such a scenario corresponds to secondary plasmas created at the polar caps of pulsar magnetospheres. In the model the generalized vorticity rather than the magnetic field is frozen into the fluid. For parallel propagation four transverse modes are found. Two are electromagnetic plasma modes which at high temperature become light waves. The remaining two are Alfvénic modes split into a fast and slow mode. The slow mode is cyclotron two-stream unstable at large wavelengths and is always subluminous. We find that the instability cannot be suppressed by temperature effects in the limit of large (finite) magnetic field. The fast Alfvén mode can be superluminous only at large wavelengths, however it is always subluminous at high temperatures. In this incompressible approximation only the ordinary mode is present for perpendicular propagation. For oblique propagation the dispersion relation is studied for finite and large strong magnetic fields and the results are qualitatively described. PMID:20365661

  9. Relatedness-dependent rapid development of brain activity in anterior temporal cortex during pair-association retrieval.

    PubMed

    Jimura, Koji; Hirose, Satoshi; Wada, Hiroyuki; Yoshizawa, Yasunori; Imai, Yoshio; Akahane, Masaaki; Machida, Toru; Shirouzu, Ichiro; Koike, Yasuharu; Konishi, Seiki

    2016-08-01

    Functional MRI studies have revealed that the brain activity in the anterior temporal cortex during memory retrieval increases over months after memory encoding. Behavioral evidence has demonstrated that long-term memory can sometimes be consolidated more rapidly in one or two days. In the present functional MRI study, we manipulated the relatedness between paired faces to be retrieved in a pair-association task. The brain activity in the anterior temporal cortex during retrieval of paired associates increased rapidly in one day, as shown in previous studies. We found that the speed of the brain activity development was dependent on the level of semantic relatedness of paired faces. The results suggest that the semantic relatedness enhances the speed of formation of memory representation in the anterior temporal cortex. PMID:27233220

  10. Dependence of two-neutron momentum densities on total pair momentum

    SciTech Connect

    Carlson, Joseph A; Wiringa, R B; Schiavilla, R; Pieper, Steven C

    2008-01-01

    Two-nucleon momentum distributions are calculated for the ground states of {sup 3}He and {sup 4}He as a function of the nucleons' relative and total momenta. We use variational Monte Carlo wave functions derived from a realistic Hamiltonian with two- and three-nucleon potentials. The momentum distribution of pp pairs is found to be much smaller than that of pn pairs for values of the relative momentum in the range (300--500) MeV/c and vanishing total momentum. Howeer, as the totalmomentum increases to 400 MeV/c, the ratio of pp to pn pairs in this relative momentum range grows and approaches the limit 1/2 for {sup 3}He and 1/4 for {sup 4}He, corresponding to the ratio of pp to pn pairs in these nuclei. This behavior should be easily observable in two-nucleon knock-out processes, such as A(e, e'pN).

  11. Newborn Rabbit Perception of 6-Odorant Mixtures Depends on Configural Processing and Number of Familiar Elements

    PubMed Central

    Romagny, Sébastien; Thomas-Danguin, Thierry; Coureaud, Gérard

    2014-01-01

    Perception of odors, i.e. usually of mixtures of odorants, is elemental (the odorants' odor qualities are perceived in the mixture) or configural (the odor quality of the mixture differs from the one of each odorant). In human adults, the Red Cordial (RC) mixture is a configurally-processed, 6-odorant mixture. It evokes a red cordial odor quality while none of the elements carries that odor. Interestingly, in newborn rabbits, the same RC mixture is weak configurally perceived: the newborns behaviorally respond to all the elements after conditioning to the whole mixture, but not to the mixture after conditioning to a single element. Thus, they perceive in the RC mixture both the odor quality of the RC configuration and the quality of each element. Here, we aimed to determine whether this perception is modulated by quantitative (number of elements) and/or qualitative bits of information (nature of elements) previously learned by the animals. Newborns were conditioned to RC sub-mixtures of different complexity and composition before behavioral testing to RC. Pups generalized their sucking-related response to RC after learning at least 4 odorants. In contrast, after conditioning to sub-mixtures of another 6-odorant mixture, the elementally perceived MV mixture, pups responded to MV after learning one or two odorants. The different generalization to RC and MV mixtures after learning some of their elements is discussed according to three hypotheses: i) the configural perception of RC sub-mixtures, ii) the ratio of familiar/unfamiliar individual information elementally and configurally perceived, iii) the perception of RC becoming purely elemental. The results allow the first hypothesis to be dismissed, while further experiments are required to distinguish between the remaining two. PMID:25248149

  12. Microscopic calculation and local approximation of the spatial dependence of the pairing field with bare and induced interactions

    SciTech Connect

    Pastore, A.; Barranco, F.; Vigezzi, E.

    2008-08-15

    The bare nucleon-nucleon interaction is essential for the production of pair correlations in nuclei, but an important contribution also arises from the induced interaction resulting from the exchange of collective vibrations between nucleons moving in time reversal states close to the Fermi energy. The pairing field resulting from the summed interaction is strongly peaked at the nuclear surface. It is possible to reproduce the detailed spatial dependence of this field by using either a local approximation, which fully takes into account finite size effects, or a contact interaction, with parameters that are quite different from those commonly used in more phenomenological approaches.

  13. Statistical mechanics of Roskilde liquids: Configurational adiabats, specific heat contours, and density dependence of the scaling exponent

    SciTech Connect

    Bailey, Nicholas P.; Bøhling, Lasse; Veldhorst, Arno A.; Schrøder, Thomas B.; Dyre, Jeppe C.

    2013-11-14

    We derive exact results for the rate of change of thermodynamic quantities, in particular, the configurational specific heat at constant volume, C{sub V}, along configurational adiabats (curves of constant excess entropy S{sub ex}). Such curves are designated isomorphs for so-called Roskilde liquids, in view of the invariance of various structural and dynamical quantities along them. The slope of the isomorphs in a double logarithmic representation of the density-temperature phase diagram, γ, can be interpreted as one third of an effective inverse power-law potential exponent. We show that in liquids where γ increases (decreases) with density, the contours of C{sub V} have smaller (larger) slope than configurational adiabats. We clarify also the connection between γ and the pair potential. A fluctuation formula for the slope of the C{sub V}-contours is derived. The theoretical results are supported with data from computer simulations of two systems, the Lennard-Jones fluid, and the Girifalco fluid. The sign of dγ/dρ is thus a third key parameter in characterizing Roskilde liquids, after γ and the virial-potential energy correlation coefficient R. To go beyond isomorph theory we compare invariance of a dynamical quantity, the self-diffusion coefficient, along adiabats and C{sub V}-contours, finding it more invariant along adiabats.

  14. Coalescent entanglement and the conditional dependence of the times to common ancestry of mutually exclusive pairs of individuals.

    PubMed

    Wu, Steven; Koelle, Katia; Rodrigo, Allen

    2013-01-01

    The Kingman coalescent is a continuous-time diffusion approximation of the times to common ancestry of a sample of individuals drawn from a Wright-Fisher population. Here, we use the coalescent to answer a simple question: if we know the ancestry of 2 randomly sampled individuals in the population, what does it tell us about the ancestry of 2 other randomly sampled individuals? We show that there is a conditional dependency between the times to common ancestry between pairs of randomly sampled individuals. We call this "coalescent entanglement," and we demonstrate its effects through simulation. The effects of entanglement extend beyond the coalescent to phylogenetic birth-death processes in general. Entanglement also exerts its effects when the pairs of individuals chosen share no common lineages in the paths that connect the individuals in each pair. PMID:23077234

  15. Temperature dependence of the pair coherence and healing lengths for a fermionic superfluid throughout the BCS-BEC crossover

    NASA Astrophysics Data System (ADS)

    Palestini, F.; Strinati, G. C.

    2014-06-01

    We calculate the pair correlation function and the order parameter correlation function, which probe, respectively, the intrapair and interpair correlations of a Fermi gas with attractive interparticle interaction, in terms of a diagrammatic approach as a function of coupling throughout the BCS-Bose-Einstein condensation (BEC) crossover and of temperature, both in the superfluid and normal phase across the critical temperature Tc. Several physical quantities are obtained from this calculation, including the pair coherence and healing lengths, the Tan's contact, the crossover temperature T* below which interpair correlations begin to build up in the normal phase, and the signature for the disappearance of the underlying Fermi surface which tends to survive in spite of pairing correlations. A connection is also made with recent experimental data on the temperature dependence of the normal coherence length as extracted from the proximity effect measured in high-temperature (cuprate) superconductors.

  16. Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields

    NASA Astrophysics Data System (ADS)

    Klinkusch, Stefan; Tremblay, Jean Christophe

    2016-05-01

    In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electron ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.

  17. Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields.

    PubMed

    Klinkusch, Stefan; Tremblay, Jean Christophe

    2016-05-14

    In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electron ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN. PMID:27179472

  18. Online estimation algorithm for a biaxial ankle kinematic model with configuration dependent joint axes.

    PubMed

    Tsoi, Y H; Xie, S Q

    2011-02-01

    The kinematics of the human ankle is commonly modeled as a biaxial hinge joint model. However, significant variations in axis orientations have been found between different individuals and also between different foot configurations. For ankle rehabilitation robots, information regarding the ankle kinematic parameters can be used to estimate the ankle and subtalar joint displacements. This can in turn be used as auxiliary variables in adaptive control schemes to allow modification of the robot stiffness and damping parameters to reduce the forces applied at stiffer foot configurations. Due to the large variations observed in the ankle kinematic parameters, an online identification algorithm is required to provide estimates of the model parameters. An online parameter estimation routine based on the recursive least-squares (RLS) algorithm was therefore developed in this research. An extension of the conventional biaxial ankle kinematic model, which allows variation in axis orientations with different foot configurations had also been developed and utilized in the estimation algorithm. Simulation results showed that use of the extended model in the online algorithm is effective in capturing the foot orientation of a biaxial ankle model with variable joint axis orientations. Experimental results had also shown that a modified RLS algorithm that penalizes a deviation of model parameters from their nominal values can be used to obtain more realistic parameter estimates while maintaining a level of estimation accuracy comparable to that of the conventional RLS routine. PMID:21280877

  19. Dependence of the Rate of LiF Ion-Pairing on the Description of Molecular Interaction.

    PubMed

    Pluhařová, Eva; Baer, Marcel D; Schenter, Gregory K; Jungwirth, Pavel; Mundy, Christopher J

    2016-03-01

    We present an analysis of the dynamics of ion-pairing of lithium fluoride (LiF) in aqueous solvent using both detailed molecular simulation as well as reduced models within a generalized Langevin equation (GLE) framework. We explored the sensitivity of the ion-pairing phenomena to the details of descriptions of molecular interaction, comparing two empirical potentials to explicit quantum based density functional theory. We find quantitative differences in the potentials of mean force for ion-pairing as well as time dependent frictions that lead to variations in the rate constant and reactive flux correlation functions. These details reflect differences in solvent response to ion-pairing between different representations of molecular interaction and influence anharmonicity of the dynamic response. We find that the short-time anharmonic response is recovered with a GLE parametrization. Recovery of the details of long time response may require extensions to the reduced model. We show that the utility of using a reduced model leads to a straightforward application of variational transition state theory concepts to the condensed phase system. The significance of this is reflected in the analysis of committor distributions and the variation of planar hypersurfaces, leading to an improved understanding of factors that determine the rate of LiF ion-pairing. PMID:26501355

  20. Dependence of two-nucleon momentum densities on total pair momentum

    SciTech Connect

    Wiringa, R. B.; Pieper, Steven C.; Schiavilla, R.; Carlson, J.

    2008-08-15

    Two-nucleon momentum distributions are calculated for the ground states of {sup 3}He and {sup 4}He as a function of the nucleons' relative and total momenta. We use variational Monte Carlo wave functions derived from a realistic Hamiltonian with two- and three-nucleon potentials. The momentum distribution of pp pairs is found to be much smaller than that of pn pairs for values of the relative momentum in the range 300-500 MeV/c and vanishing total momentum. However, as the total momentum increases to 400 MeV/c, the ratio of pp to pn pairs in this relative momentum range grows and approaches the limit 1/2 for {sup 3}He and 1/4 for {sup 4}He, corresponding to the ratio of pp to pn pairs in these nuclei. This behavior should be easily observable in two-nucleon knock-out processes, such as A(e,e{sup '}pN)

  1. Dependence of two-nucleon momentum densities on total pair momentum.

    SciTech Connect

    Wiringa, R. B.; Schiavilla, R.; Pieper, S. C.; Carlson, J.; Physics; Jefferson Lab.; Old Dominion Univ.; LANL

    2008-08-01

    Two-nucleon momentum distributions are calculated for the ground states of {sup 3}He and {sup 4}He as a function of the nucleons' relative and total momenta. We use variational Monte Carlo wave functions derived from a realistic Hamiltonian with two- and three-nucleon potentials. The momentum distribution of pp pairs is found to be much smaller than that of pn pairs for values of the relative momentum in the range 300-500 MeV/c and vanishing total momentum. However, as the total momentum increases to 400 MeV/c, the ratio of pp to pn pairs in this relative momentum range grows and approaches the limit 1/2 for {sup 3}He and 1/4 for {sup 4}He, corresponding to the ratio of pp to pn pairs in these nuclei. This behavior should be easily observable in two-nucleon knock-out processes, such as A(e,e{prime}pN).

  2. Dependence of two-nucleon momentum densities on total pair momentum

    SciTech Connect

    Wiringa, Robert; Schiavilla, Rocco; Pieper, Steven; Carlson, Joseph

    2008-08-01

    Two-nucleon momentum distributions are calculated for the ground states of 3He and 4He as a function of the nucleons' relative and total momenta. We use variational Monte Carlo wave functions derived from a realistic Hamiltonian with two- and three-nucleon potentials. The momentum distribution of pp pairs is found to be much smaller than that of pn pairs for values of the relative momentum in the range (300--500) MeV/c and vanishing total momentum. However, as the total momentum increases to 400 MeV/c, the ratio of pp to pn pairs in this relative momentum range grows and approaches the limit 1/2 for 3He and 1/4 for 4He, corresponding to the ratio of pp to pn pairs in these nuclei. This behavior should be easily observable in two-nucleon knock-out processes, such as A(e,e'pN).
    http://dx.doi.org/10.1103/PhysRevC.78.021001

  3. Temporal Interval Discrimination Thresholds Depend on Perceived Synchrony for Audio-Visual Stimulus Pairs

    ERIC Educational Resources Information Center

    van Eijk, Rob L. J.; Kohlrausch, Armin; Juola, James F.; van de Par, Steven

    2009-01-01

    Audio-visual stimulus pairs presented at various relative delays, are commonly judged as being "synchronous" over a range of delays from about -50 ms (audio leading) to +150 ms (video leading). The center of this range is an estimate of the point of subjective simultaneity (PSS). The judgment boundaries, where "synchronous" judgments yield to a…

  4. Schistosome sex matters: a deep view into gonad-specific and pairing-dependent transcriptomes reveals a complex gender interplay

    PubMed Central

    Lu, Zhigang; Sessler, Florian; Holroyd, Nancy; Hahnel, Steffen; Quack, Thomas; Berriman, Matthew; Grevelding, Christoph G.

    2016-01-01

    As a key event for maintaining life cycles, reproduction is a central part of platyhelminth biology. In case of parasitic platyhelminths, reproductive processes can also contribute to pathology. One representative example is the trematode Schistosoma, which causes schistosomiasis, an infectious disease, whose pathology is associated with egg production. Among the outstanding features of schistosomes is their dioecious lifestyle and the pairing-dependent differentiation of the female gonads which finally leads to egg synthesis. To analyze the reproductive biology of Schistosoma mansoni in-depth we isolated complete ovaries and testes from paired and unpaired schistosomes for comparative RNA-seq analyses. Of >7,000 transcripts found in the gonads, 243 (testes) and 3,600 (ovaries) occurred pairing-dependently. Besides the detection of genes transcribed preferentially or specifically in the gonads of both genders, we uncovered pairing-induced processes within the gonads including stem cell-associated and neural functions. Comparisons to work on neuropeptidergic signaling in planarian showed interesting parallels but also remarkable differences and highlights the importance of the nervous system for flatworm gonad differentiation. Finally, we postulated first functional hints for 235 hypothetical genes. Together, these results elucidate key aspects of flatworm reproductive biology and will be relevant for basic as well as applied, exploitable research aspects. PMID:27499125

  5. Schistosome sex matters: a deep view into gonad-specific and pairing-dependent transcriptomes reveals a complex gender interplay.

    PubMed

    Lu, Zhigang; Sessler, Florian; Holroyd, Nancy; Hahnel, Steffen; Quack, Thomas; Berriman, Matthew; Grevelding, Christoph G

    2016-01-01

    As a key event for maintaining life cycles, reproduction is a central part of platyhelminth biology. In case of parasitic platyhelminths, reproductive processes can also contribute to pathology. One representative example is the trematode Schistosoma, which causes schistosomiasis, an infectious disease, whose pathology is associated with egg production. Among the outstanding features of schistosomes is their dioecious lifestyle and the pairing-dependent differentiation of the female gonads which finally leads to egg synthesis. To analyze the reproductive biology of Schistosoma mansoni in-depth we isolated complete ovaries and testes from paired and unpaired schistosomes for comparative RNA-seq analyses. Of >7,000 transcripts found in the gonads, 243 (testes) and 3,600 (ovaries) occurred pairing-dependently. Besides the detection of genes transcribed preferentially or specifically in the gonads of both genders, we uncovered pairing-induced processes within the gonads including stem cell-associated and neural functions. Comparisons to work on neuropeptidergic signaling in planarian showed interesting parallels but also remarkable differences and highlights the importance of the nervous system for flatworm gonad differentiation. Finally, we postulated first functional hints for 235 hypothetical genes. Together, these results elucidate key aspects of flatworm reproductive biology and will be relevant for basic as well as applied, exploitable research aspects. PMID:27499125

  6. The pH dependent configurations of the C.A mispair in DNA.

    PubMed Central

    Boulard, Y; Cognet, J A; Gabarro-Arpa, J; Le Bret, M; Sowers, L C; Fazakerley, G V

    1992-01-01

    The structure of the cytosine-adenine mispair in a 7 base pair duplex has been investigated by proton NMR spectroscopy. At low pH, the predominant structure is protonated on the A residue and assumes a wobble conformation consistent with previous findings. The C residue of the mispair is found in a C2'-C3' endo equilibrium. This is confirmed by molecular dynamics calculations which suggest that the conformation of the protonated wobble is flexible and not as rigid as a normal base pair. As the solution pH is raised, a structural transition is observed with an apparent pK of 7.54 at 23 degrees C. At higher pH the predominant structure is one in which both the C and A residues are intrahelical. Evidence is presented that this structure corresponds to a reverse wobble in which the two bases are held together by one hydrogen bond. This structure is much less stable than the protonated form and even at low temperature single strands are observed in slow exchange with the neutral duplex form. Images PMID:1579495

  7. Scattering efficiency of aggregated clusters of spheres: dependence on configuration and composition.

    PubMed

    Auger, Jean-Claude; Stout, Brian; Martinez, Vincent

    2005-12-01

    We study the orientation average scattering cross section of various isolated aggregates of identical spherical particles as functions of their size, optical properties, and spatial configurations. Two kinds of aggregates are studied: latex particles in water and rutile titanium dioxide pigments in a polymeric resin, with size parameters varying from 0.6 to 2.3. Calculations are performed by using a recursive centered T-matrix algorithm solution of the multiple scattering equation that we previously developed [J. Quant. Spectrosc. Radiat. Transfer 79-80, 533 (2003)]. We show that for a specific size of the constituent spheres, their respective couplings apparently vanish, regardless of the aggregate configuration, and that the scattering cross section of the entire cluster behaves as if its constituents were isolated. We found that the particular radius for which this phenomenon occurs is a function of the relative refractive index of the system. We also study the correlations between the strength of the coupling among the constituent spheres, and the pseudofractal dimension of the aggregate as it varies from 1 to 30. PMID:16396031

  8. Dependence of Localized Electronic Structure on Ligand Configuration in the [2Fe] Hydrogenase Catalytic Core^*

    NASA Astrophysics Data System (ADS)

    Chang, Christopher H.; Kim, Kwiseon

    2007-03-01

    The [FeFe] hydrogenase enzyme is found in a variety of organisms, including Archaea, Eubacteria, and green algae^1,2, and crystallographically determined atomic position data is available for two examples. The biologically unusual catalytic H-cluster, responsible for proton reduction to H2 in vivo, is conserved in the known structures and includes two bis-thiolato bridged iron ions with extensive cyano- and carbonyl ligation. To address the configurational specificity of the diatomic ligand ligation, density functional theoretical calculations were done on [2Fe] core models of the active center, with varying CO and CN^- ligation patterns. Bonding in each complex has been characterized within the Natural Bond Orbital formalism. The effect of ligand configuration on bonding and charge distribution as well as Kohn-Sham orbital structure will be presented. [1] M. Forestier, P. King, L. Zhang, M. Posewitz, S. Schwarzer, T. Happe, M.L. Ghirardi, and M. Seibert, Eur. J. Biochem. 270, 2750 (2003). [2] Posewitz, M.C., P.W. King, S.L. Smolinski, R.D. Smith, II, A.R. Ginley, M.L. Ghirardi, and M. Seibert, Biochem. Soc. Trans. 33, 102 (2005). ^*This work was supported by the US DOE-SC-BES Hydrogen Fuels Initiative, and done in collaboration with the NREL Chemical and Biosciences Center.

  9. Configuration dependence of band-gap narrowing and localization in dilute GaAs1 -xBix alloys

    NASA Astrophysics Data System (ADS)

    Bannow, Lars C.; Rubel, Oleg; Badescu, Stefan C.; Rosenow, Phil; Hader, Jörg; Moloney, Jerome V.; Tonner, Ralf; Koch, Stephan W.

    2016-05-01

    Anion substitution with bismuth (Bi) in III-V semiconductors is an effective method for experimental engineering of the band gap Eg at low Bi concentrations (≤2 % ), in particular in gallium arsenide (GaAs). The inverse Bi-concentration dependence of Eg has been found to be linear at low concentrations x and dominated by a valence band defect level anticrossing between As and Bi occupied p levels. Predictive models for the valence band hybridization require a first-principle understanding which can be obtained by density functional theory with the main challenges being the proper description of Eg and the spin-orbit coupling. By using an efficient method to include these effects, it is shown here that at high concentrations Eg is modified mainly by a Bi-Bi p orbital interaction and by the large Bi atom-induced strain. In particular, we find that at high concentrations, the Bi-Bi interactions depend strongly on model periodic cluster configurations, which are not captured by tight-binding models. Averaging over various configurations supports the defect level broadening picture. This points to the role of different atomic configurations obtained by varying the experimental growth conditions in engineering arsenide band gaps, in particular for telecommunication laser technology.

  10. Theory of antisymmetric spin-pair-dependent electric polarization in multiferroics

    NASA Astrophysics Data System (ADS)

    Miyahara, S.; Furukawa, N.

    2016-01-01

    We investigate magnetoelectric couplings between an electric polarization and an antisymmetric spin pair, Si×Sj , in a multiorbital Hubbard model on a distorted lattice. We microscopically derive a generic form of the electric polarization, pAS=d ̂(Si×Sj) , with a tensor, d ̂, which includes the electric polarization induced by the Katsura-Nagaosa-Balatsky formula as a subset. The origin and nature of these magnetoelectric couplings are clarified in a unified way; the results indicate that various noncollinear magnetic structures, such as canted antiferromagnetic, proper screw, and 120∘ spin structures, show multiferroic behaviors owing to non-Katsura-Nagaosa-Balatsky coupling.

  11. Drinking alcohol has sex-dependent effects on pair bond formation in prairie voles.

    PubMed

    Anacker, Allison M J; Ahern, Todd H; Hostetler, Caroline M; Dufour, Brett D; Smith, Monique L; Cocking, Davelle L; Li, Ju; Young, Larry J; Loftis, Jennifer M; Ryabinin, Andrey E

    2014-04-22

    Alcohol use and abuse profoundly influences a variety of behaviors, including social interactions. In some cases, it erodes social relationships; in others, it facilitates sociality. Here, we show that voluntary alcohol consumption can inhibit male partner preference (PP) formation (a laboratory proxy for pair bonding) in socially monogamous prairie voles (Microtus ochrogaster). Conversely, female PP is not inhibited, and may be facilitated by alcohol. Behavior and neurochemical analysis suggests that the effects of alcohol on social bonding are mediated by neural mechanisms regulating pair bond formation and not alcohol's effects on mating, locomotor, or aggressive behaviors. Several neuropeptide systems involved in the regulation of social behavior (especially neuropeptide Y and corticotropin-releasing factor) are modulated by alcohol drinking during cohabitation. These findings provide the first evidence to our knowledge that alcohol has a direct impact on the neural systems involved in social bonding in a sex-specific manner, providing an opportunity to explore the mechanisms by which alcohol affects social relationships. PMID:24711424

  12. Studying temperature dependence of pairing gap parameter in a nucleus as a small superconducting system

    NASA Astrophysics Data System (ADS)

    Rahmatinejad, A.; Razavi, R.; Kakavand, T.

    2016-07-01

    In this paper, we have taken the effect of small size of nucleus and static fluctuations into account in the Bardeen-Cooper-Schrieffer (BCS) theory of superconductivity calculations of 45Ti nucleus. Thermodynamic quantities of 45Ti have been extracted within the BCS model with the inclusion of the average value of the pairing gap square, extracted by the modified Ginzburg-Landau (MGL) method for small systems. Calculated values of the excitation energy and entropy within the MGL+BCS method improve the extracted results within the usual BCS model and show a smooth behavior around the critical temperature with a very good agreement with the semi-empirical values. The result of using MGL+BCS method for the heat capacity of 45Ti is compared with the corresponding semi-empirical values and the calculated values within the BCS, static path approximation (SPA) and Modified Pairing gap BCS (MPBCS) which is a method that was proposed in our previous publications. Both MGL+BCS and MPBCS avoid the discontinuity of the heat capacity curve, which is observed in the usual BCS method, and lead to an S-shaped curve with a good agreement with the semi-empirical results.

  13. Drinking alcohol has sex-dependent effects on pair bond formation in prairie voles

    PubMed Central

    Anacker, Allison M. J.; Ahern, Todd H.; Hostetler, Caroline M.; Dufour, Brett D.; Smith, Monique L.; Cocking, Davelle L.; Li, Ju; Young, Larry J.; Loftis, Jennifer M.; Ryabinin, Andrey E.

    2014-01-01

    Alcohol use and abuse profoundly influences a variety of behaviors, including social interactions. In some cases, it erodes social relationships; in others, it facilitates sociality. Here, we show that voluntary alcohol consumption can inhibit male partner preference (PP) formation (a laboratory proxy for pair bonding) in socially monogamous prairie voles (Microtus ochrogaster). Conversely, female PP is not inhibited, and may be facilitated by alcohol. Behavior and neurochemical analysis suggests that the effects of alcohol on social bonding are mediated by neural mechanisms regulating pair bond formation and not alcohol’s effects on mating, locomotor, or aggressive behaviors. Several neuropeptide systems involved in the regulation of social behavior (especially neuropeptide Y and corticotropin-releasing factor) are modulated by alcohol drinking during cohabitation. These findings provide the first evidence to our knowledge that alcohol has a direct impact on the neural systems involved in social bonding in a sex-specific manner, providing an opportunity to explore the mechanisms by which alcohol affects social relationships. PMID:24711424

  14. The latitude dependencies of the solar wind. [of interplanetary magnetic field polarity and configurations

    NASA Technical Reports Server (NTRS)

    Rosenberg, R. L.; Winge, C. R., Jr.

    1974-01-01

    The motion of spacecraft following the earth's orbit occurs within the solar latitude range of 7 deg 15 min N on approximately September 7 to 7 deg 15 min S on approximately March 6. The latitude dependencies so far detected within this range have shown that the photospheric dipole-like field of the sun makes very important contributions to the interplanetary magnetic field (IMF) observed near the ecliptic. Changes in geomagnetic activity from even to odd numbered 11-year solar cycles are related to changes in the sun's dipolar field. The north-south IMF component and meridional, nonradial flow are important to a complete understanding of steady-state solar wind dynamics. Coronal conditions must be latitude-dependent in a way that accounts for the observed latitude dependence of the velocity and density of the solar wind.

  15. Mechanistic insights into temperature-dependent regulation of the simple cyanobacterial hsp17 RNA thermometer at base-pair resolution

    PubMed Central

    Wagner, Dominic; Rinnenthal, Jörg; Narberhaus, Franz; Schwalbe, Harald

    2015-01-01

    The cyanobacterial hsp17 ribonucleicacid thermometer (RNAT) is one of the smallest naturally occurring RNAT. It forms a single hairpin with an internal 1×3-bulge separating the start codon in stem I from the ribosome binding site (RBS) in stem II. We investigated the temperature-dependent regulation of hsp17 by mapping individual base-pair stabilities from solvent exchange nuclear magnetic resonance (NMR) spectroscopy. The wild-type RNAT was found to be stabilized by two critical CG base pairs (C14-G27 and C13-G28). Replacing the internal 1×3 bulge by a stable CG base pair in hsp17rep significantly increased the global stability and unfolding cooperativity as evidenced by circular dichroism spectroscopy. From the NMR analysis, remote stabilization and non-nearest neighbour effects exist at the base-pair level, in particular for nucleotide G28 (five nucleotides apart from the side of mutation). Individual base-pair stabilities are coupled to the stability of the entire thermometer within both the natural and the stabilized RNATs by enthalpy–entropy compensation presumably mediated by the hydration shell. At the melting point the Gibbs energies of the individual nucleobases are equalized suggesting a consecutive zipper-type unfolding mechanism of the RBS leading to a dimmer-like function of hsp17 and switch-like regulation behaviour of hsp17rep. The data show how minor changes in the nucleotide sequence not only offset the melting temperature but also alter the mode of temperature sensing. The cyanobacterial thermosensor demonstrates the remarkable adjustment of natural RNATs to execute precise temperature control. PMID:25940621

  16. Time-dependent generalized-active-space configuration-interaction approach to photoionization dynamics of atoms and molecules

    NASA Astrophysics Data System (ADS)

    Bauch, S.; Sørensen, L. K.; Madsen, L. B.

    2014-12-01

    We present a wave-function-based method to solve the time-dependent many-electron Schrödinger equation with special emphasis on strong-field ionization phenomena. The theory builds on the configuration-interaction (CI) approach supplemented by the generalized-active-space concept from quantum chemistry. The latter allows for a controllable reduction in the number of configurations in the CI expansion by imposing restrictions on the active orbital space. The method is similar to the recently formulated time-dependent restricted-active-space CI method [D. Hochstuhl and M. Bonitz, Phys. Rev. A 86, 053424 (2012), 10.1103/PhysRevA.86.053424]. We present details of our implementation and address convergence properties with respect to the active spaces and the associated account of electron correlation in both ground-state and excitation scenarios. We apply the time-dependent generalized-active-space CI theory to strong-field ionization of polar diatomic molecules and illustrate how the method allows us to uncover a strong correlation-induced shift of the preferred direction of emission of photoelectrons.

  17. Configurational dependence of the magnetization dynamics in spin valve systems: Influence of spin pumping and domain wall induced coupling

    NASA Astrophysics Data System (ADS)

    Salikhov, R.; Abrudan, R.; Brüssing, F.; Gross, K.; Luo, C.; Westerholt, K.; Zabel, H.; Radu, F.; Garifullin, I. A.

    2012-10-01

    Using time-resolved x-ray resonant magnetic scattering we report on the precessional dynamics of spin valve systems with parallel (P) and antiparallel (AP) orientation of the ferromagnetic layers separated by a nonmagnetic spacer layers. Previously we observed in Co/Cu/Ni81Fe19(Py) spin valve systems an increase of the magnetic damping parameter in Py with changing magnetization direction of Py and Co layers from P to AP orientation [Salikhov , Appl. Phys. Lett.APPLAB0003-695110.1063/1.3633115 99, 092509 (2011)]. We attributed this finding to the configurational dependence of the spin pumping effect [Kim and Chappert, J. Magn. Magn. Mater.JMMMDC0304-885310.1016/j.jmmm.2004.09.036 286, 56 (2005)]. Here we extend our earlier findings by investigating the temperature dependence of the spin pumping effect and possible other causes for the configurational dependence of the damping parameter, such as domain wall induced coupling or magnetic dipole coupling. The main focus is on Co/Cu/Py trilayers and on Co2MnGe/V/Py trilayers with spin valve properties.

  18. Anomalous Fermi-Surface Dependent Pairing in a Self-Doped High-Tc Superconductor

    SciTech Connect

    Chen, Y.

    2010-05-03

    We report the discovery of a self-doped multi-layer high T{sub c} superconductor Ba{sub 2}Ca{sub 3}Cu{sub 4}O{sub 8}F{sub 2} (F0234) which contains distinctly different superconducting gap magnitudes along its two Fermi surface(FS) sheets. While formal valence counting would imply this material to be an undoped insulator, it is a self-doped superconductor with a T{sub c} of 60K, possessing simultaneously both electron- and hole-doped FS sheets. Intriguingly, the FS sheet characterized by the much larger gap is the electron-doped one, which has a shape disfavoring two electronic features considered to be important for the pairing mechanism: the van Hove singularity and the antiferromagnetic ({pi}/a, {pi}/a) scattering.

  19. Anomalous Fermi-Surface Dependent Pairing in a Self-Doped High-T(c) Superconductor

    SciTech Connect

    Chen, Yulin; Iyo, Akira; Yang, Wanli; Zhou, Xingjiang; Lu, Donghui; Eisaki, Hiroshi; Devereaux, Thomas P.; Hussain, Zahid; Shen, Z.-X.; /Stanford U., Phys. Dept. /SLAC, SSRL /AIST, Tsukuba /Waterloo U. /LBNL, ALS

    2007-02-12

    We report the discovery of a self-doped multilayer high T{sub c} superconductor Ba{sub 2}Ca{sub 3}Cu{sub 4}O{sub 8}F{sub 2} (F0234) which contains distinctly different superconducting gap magnitudes along its two Fermi-surface sheets. While formal valence counting would imply this material to be an undoped insulator, it is a self-doped superconductor with a T{sub c} of 60 K, possessing simultaneously both electron- and hole-doped Fermi-surface sheets. Intriguingly, the Fermi-surface sheet characterized by the much larger gap is the electron-doped one, which has a shape disfavoring two electronic features considered to be important for the pairing mechanism: the van Hove singularity and the antiferromagnetic ({pi}/{alpha}, {pi}/{alpha}) scattering.

  20. Asymptotic expansion of pair production probability in a time-dependent electric field

    NASA Astrophysics Data System (ADS)

    Arai, Takashi

    2015-12-01

    We study particle creation in a single pulse of an electric field in scalar quantum electrodynamics. We investigate the parameter condition for the case where the dynamical pair creation and Schwinger mechanism respectively dominate. Then, an asymptotic expansion for the particle distribution in terms of the time interval of the applied electric field is derived. We compare our result with particle creation in a constant electric field with a finite-time interval. These results coincide in an extremely strong field, however they differ in general field strength. We interpret the reason of this difference as a nonperturbative effect of high-frequency photons in external electric fields. Moreover, we find that the next-to-leading-order term in our asymptotic expansion coincides with the derivative expansion of the effective action.

  1. Orbital dependent pairing and the structure of the lightest isotopes of tin

    NASA Astrophysics Data System (ADS)

    Grzywacz, Robert; Darby, Iain; Batchelder, Jon; Bingham, Carrol; Cartegni, Lucia; Gross, Carl; Hjorth-Jensen, Morten; Joss, David; Liddick, Sean; Nazarewicz, Witold; Page, Robert; Papenbrock, Thomas; Rajabali, Mustafa; Rotureau, Jimmy; Rykaczewski, Krzysztof; Padgett, Stephen

    2010-11-01

    The island of alpha radioactivity near doubly magic ^100Sn provides an opportunity to study properties of tin isotopes using the extreme selectivity of charge particle decay spectroscopy. In an experiment, which used the most advanced experimental spectroscopic techniques the ^109Xe->^105Te->^101Sn alpha decay chain was studied at the Holifield Radioactive Ion Beam Facility at Oak Ridge. The majority of the alpha decay branching ratio of the ^105Te populates not the ground state but the first excited state in ^101Sn leading to the revision of the established order of single particle levels. The in-depth analysis of this result with the state-of-the-art shell model calculations lead to surprising conclusions on the role of the pairing correlations in the lightest tin isotopes.

  2. Thermal process dependence of Li configuration and electrical properties of Li-doped ZnO

    NASA Astrophysics Data System (ADS)

    Zhang, Z.; Knutsen, K. E.; Merz, T.; Kuznetsov, A. Yu.; Svensson, B. G.; Brillson, L. J.

    2012-01-01

    We used depth-resolved cathodoluminescence spectroscopy (DRCLS) to describe the strong dependence of Li acceptor formation on thermal treatment in Li-doped ZnO. Within a 500-600 °C annealing temperature range, subsequent quenching ZnO leaves Li as interstitial donors, resulting in low room temperature resistivity, while slow cooling in air allows these interstitials to fill Zn vacancies forming Li acceptors 3.0 eV below the conduction band edge. DRCLS reveals an inverse relationship between the optical emission densities of lithium on zinc sites versus zinc vacancy sites, demonstrating the time dependence of Li interstitials to combine with zinc vacancies in order to form substitutional Li acceptors.

  3. Scale-dependent effects of landscape composition and configuration on natural enemy diversity, crop herbivory, and yields.

    PubMed

    Martin, Emily A; Seo, Bumsuk; Park, Chan-Ryul; Reineking, Björn; Steffan-Dewenter, Ingolf

    2016-03-01

    , indicating positive density-dependence of enemies on pests. However, the diversity of aerial enemies was also positively related to yields. (5) Our results suggest that the effectiveness of agrienvironmental schemes for managing natural enemy diversity, crop damage and yields could be enhanced by optimizing the effects of distinct landscape parameters, particularly landscape configuration and diversity, across scales. PMID:27209787

  4. Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory.

    PubMed

    Klinkusch, Stefan; Saalfrank, Peter; Klamroth, Tillmann

    2009-09-21

    We report simulations of laser-pulse driven many-electron dynamics by means of a simple, heuristic extension of the time-dependent configuration interaction singles (TD-CIS) approach. The extension allows for the treatment of ionizing states as nonstationary states with a finite, energy-dependent lifetime to account for above-threshold ionization losses in laser-driven many-electron dynamics. The extended TD-CIS method is applied to the following specific examples: (i) state-to-state transitions in the LiCN molecule which correspond to intramolecular charge transfer, (ii) creation of electronic wave packets in LiCN including wave packet analysis by pump-probe spectroscopy, and, finally, (iii) the effect of ionization on the dynamic polarizability of H(2) when calculated nonperturbatively by TD-CIS. PMID:19778110

  5. The time-dependent generalized active space configuration interaction approach to correlated ionization dynamics of diatomic molecules

    NASA Astrophysics Data System (ADS)

    Bauch, S.; Larsson, H. R.; Hinz, C.; Bonitz, M.

    2016-03-01

    In this contribution, we review the time-dependent generalized-active-space configuration interaction (TD-GAS-CI) approach to the photoionization dynamics of atoms and molecules including electron correlation effects. It is based on the configuration interaction (CI) expansion of the many-body wave function and the restriction of the determinantal space to a reduced subspace. For its numerically efficient application to photoionization, a partially-rotated basis set is used which adopts features of a localized basis with a good reference description and a grid representation for escaping wave packets. After reviewing earlier applications of the theory, we address the strong-field ionization of a one-dimensional model of the four-electron LiH molecule using TD-GAS-CI and demonstrate the importance of electron-electron correlations in the ionization yield for different orientations of the molecule w.r.t the peak of the linearly polarized laser field. A pronounced orientation-dependent variation of the yield with the pulse duration and the level of considered electron-electron correlations is observed.

  6. Configuration and Heating Power Dependence of Edge Parameters and H-mode Dynamics in National Spherical Torus Experiment (NSTX)

    SciTech Connect

    C.E. Bush; M.G. Bell; R.E. Bell; J. Boedo; E.D. Fredrickson; S.M. Kaye; S. Kubota; B.P. LeBlanc; R. Maingi; R.J. Maqueda; S.A. Sabbagh; V.A. Soukhanovskii; D. Stutman; D.W. Swain; J.B. Wilgen; S.J. Zweben; W.M. Davis; D.A. Gates; D.W. Johnson; R. Kaita; H.W. Kugel; D. Mastrovito; S. Medley; J.E. Menard; D. Mueller; M. Ono; F. Paoletti; S.J. Paul; Y-K.M. Peng; R. Raman; P.G. Roney; A.L. Roquemore; C.H. Skinner; E.J. Synakowski; G. Taylor; the NSTX Team

    2003-01-09

    Edge parameters play a critical role in H-mode (high-confinement mode) access, which is a key component of plasma discharge optimization in present-day toroidal confinement experiments and the design of next-generation devices. Because the edge magnetic topology of a spherical torus (ST) differs from a conventional aspect ratio tokamak, H-modes in STs exhibit important differences compared with tokamaks. The dependence of the NSTX (National Spherical Torus Experiment) edge plasma on heating power, including the L-H transition requirements and the occurrence of edge-localized modes (ELMs), and on divertor configuration is quantified. Comparisons between good L-modes (low-confinement modes) and H-modes show greater differences in the ion channel than the electron channel. The threshold power for the H-mode transition in NSTX is generally above the predictions of a recent ITER (International Thermonuclear Experimental Reactor) scaling. Correlations of transition and ELM phenomena with turbulent fluctuations revealed by Gas Puff Imaging (GPI) and reflectometry are observed. In both single-null and double-null divertor discharges, the density peaks off-axis, sometimes developing prominent ''ears'' which can be sustained for many energy confinement times, tau subscript ''E'', in the absence of ELMs. A wide variety of ELM behavior is observed, and ELM characteristics depend on configuration and fueling.

  7. MAJOR-MERGER GALAXY PAIRS IN THE COSMOS FIELD-MASS-DEPENDENT MERGER RATE EVOLUTION SINCE z = 1

    SciTech Connect

    Xu, C. Kevin; Zhao, Yinghe; Gao, Y.; Scoville, N.; Capak, P.; Drory, N.

    2012-03-10

    We present results of a statistical study of the cosmic evolution of the mass-dependent major-merger rate since z = 1. A stellar mass limited sample of close major-merger pairs (the CPAIR sample) was selected from the archive of the COSMOS survey. Pair fractions at different redshifts derived using the CPAIR sample and a local K-band-selected pair sample show no significant variations with stellar mass. The pair fraction exhibits moderately strong cosmic evolution, with the best-fitting function of f{sub pair} = 10{sup -1.88({+-}0.03)}(1 + z){sup 2.2({+-}0.2)}. The best-fitting function for the merger rate is R{sub mg} (Gyr{sup -1}) = 0.053 Multiplication-Sign (M{sub star}/10{sup 10.7} M{sub Sun} ){sup 0.3}(1 + z){sup 2.2}/(1 + z/8). This rate implies that galaxies of M{sub star} {approx} 10{sup 10}-10{sup 11.5} M{sub Sun} have undergone {approx}0.5-1.5 major mergers since z = 1. Our results show that, for massive galaxies (M{sub star} {>=} 10{sup 10.5} M{sub Sun }) at z {<=} 1, major mergers involving star-forming galaxies (i.e., wet and mixed mergers) can account for the formation of both ellipticals and red quiescent galaxies (RQGs). On the other hand, major mergers cannot be responsible for the formation of most low mass ellipticals and RQGs of M{sub star} {approx}< 10{sup 10.3} M{sub Sun }. Our quantitative estimates indicate that major mergers have significant impact on the stellar mass assembly of the most massive galaxies (M{sub star} {>=} 10{sup 11.3} M{sub Sun }), but for less massive galaxies the stellar mass assembly is dominated by the star formation. Comparison with the mass-dependent (ultra)luminous infrared galaxies ((U)LIRG) rates suggests that the frequency of major-merger events is comparable to or higher than that of (U)LIRGs.

  8. A configuration dependent muscle model for the myoelectric control of a transfemoral prosthesis.

    PubMed

    Hoover, Carl D; Fite, Kevin B

    2011-01-01

    This paper presents the development of a torque-based myoelectric impedance controller for an active-knee transfemoral prosthesis. An anthropomorphically inspired agonist-antagonist impedance controller studied in a myoelectric elbow prosthesis is adapted for the knee joint. To parameterize the controller, regression analysis was applied to a recently updated lower-extremity neuromuscular simulation model that provides estimates of knee torque as a function of knee angle and neural activation. Initial results using a constant moment arm suggest physically unreasonable parameters and poor model performance, but the inclusion of an angle-dependent moment arm in the reduced-order muscle model enables good correlation with the high-order neuromuscular model. The resulting limb controller is tested using a 1-DOF active knee prosthesis donned by a non-amputee subject with an able-bodied adapter. Initial treadmill walking tests demonstrate the potential of this controller to enable effective myoelectric control of the prosthetic limb. PMID:22275678

  9. Time-Dependent Configuration Interaction Approach for Multielectron System Confined in Two-Dimensional Quantum Dot

    NASA Astrophysics Data System (ADS)

    Okunishi, Takuma; Clark, Richard; Takeda, Kyozaburo; Kusakabe, Koichi; Tomita, Norikazu

    2013-02-01

    We extend the static multireference description (resonant unrestricted Hartree-Fock) to a dynamical system in order to include the correlation effect dynamically. The resulting time-dependent (TD) Schrödinger equation is simplified into the time-developed rate equation (TD-CI), where the TD external field \\hatH‧(t) is taken into account directly in the Hamiltonian without any approximations. This TD-CI approach also has an advantage in that it takes into account the electron correlation by narrowing down the number of employed Slater determinants. We apply our TD-CI approach to the case of two electrons confined in the square quantum dot (QD) having the spin singlet multiplicity, and study theoretically the spatial and temporal fluctuation of the two-electron ground state under photon injection and pulse field application.

  10. Study of spin-dependent masses and configuration mixings in heavy quarkonia and hybrids using lattice nonrelativistic quantum chromodynamics

    NASA Astrophysics Data System (ADS)

    Burch, Tommy

    While we may know the overall quantum numbers of a given meson state and that such a state is necessarily a color singlet, we do not know a priori the relative spin and color alignments of the constituents: the quarks, antiquarks, and gluons. The overall meson wavefunction may have contributions from different spin-color configurations: one where the quark and antiquark alone account for the spin of the meson; or another where a gluon excitation also contributes to the total spin (a hybrid state), while helping to form the color singlet. The determination of the relative contributions of each these configurations to the overall meson state is the focus of this work. We use the lattice formulation of quantum chromodynamics (QCD) and we restrict our analysis to the limit of heavy quark masses. We are therefore able to use a non-relativistic approximation for the quark and antiquark Hamiltonians (NRQCD). This provides the additional separation of the spin- and orbital-angular-momentum degrees of freedom of the quarks. We therefore have a clear separation of basis states where the meson spin is carried by only the quark and antiquark spins, their relative orbital motion, or a combination of the two; and also the state where a gluon excitation is needed, along with the quark and antiquark, to form the correct quantum numbers. Using only the static and kinetic terms of the heavy-quark Hamiltonian we create meson-like correlators with the same quantum numbers, but with different color-spin configurations. From these correlators we extract the masses and amplitudes which form the basis of a two-state system. We then apply the lowest-order spin-dependent interaction at various intermediate time slices to form correlators between different configurations. From these "mixed" correlators we extract the off-diagonal matrix elements of our two-state Hamiltonian. Diagonalizing this Hamiltonian, we find the relative contribution of each spin-color configuration to the true heavy

  11. Dependence of the length of solar filament threads on the magnetic configuration

    NASA Astrophysics Data System (ADS)

    Zhou, Yu-Hao; Chen, Peng-Fei; Zhang, Qing-Min; Fang, Cheng

    2014-05-01

    High-resolution Hα observations indicate that filaments consist of an assembly of thin threads. In quiescent filaments, the threads are generally short, whereas in active region filaments, the threads are generally long. In order to explain these observational features, we performed one-dimensional radiative hydrodynamic simulations of filament formation along a dipped magnetic flux tube in the framework of the chromospheric evaporation-coronal condensation model. The geometry of a dipped magnetic flux tube is characterized by three parameters, i.e., the depth (D), the half-width (w) and the altitude (h) of the magnetic dip. A survey of the parameters in numerical simulations shows that when allowing the filament thread to grow in 5 days, the maximum length (Lth) of the filament thread increases linearly with w, and decreases linearly with D and h. The dependence is fitted into a linear function Lth = 0.84w - 0.88D - 2.78h+17.31(Mm). Such a relation can qualitatively explain why quiescent filaments have shorter threads and active region filaments have longer threads.

  12. Higgs Boson Pair Production in Gluon Fusion at Next-to-Leading Order with Full Top-Quark Mass Dependence

    NASA Astrophysics Data System (ADS)

    Borowka, S.; Greiner, N.; Heinrich, G.; Jones, S. P.; Kerner, M.; Schlenk, J.; Schubert, U.; Zirke, T.

    2016-07-01

    We present the calculation of the cross section and invariant mass distribution for Higgs boson pair production in gluon fusion at next-to-leading order (NLO) in QCD. Top-quark masses are fully taken into account throughout the calculation. The virtual two-loop amplitude has been generated using an extension of the program GoSam supplemented with an interface to Reduze for the integral reduction. The occurring integrals have been calculated numerically using the program SecDec. Our results, including the full top-quark mass dependence for the first time, allow us to assess the validity of various approximations proposed in the literature, which we also recalculate. We find substantial deviations between the NLO result and the different approximations, which emphasizes the importance of including the full top-quark mass dependence at NLO.

  13. Higgs Boson Pair Production in Gluon Fusion at Next-to-Leading Order with Full Top-Quark Mass Dependence.

    PubMed

    Borowka, S; Greiner, N; Heinrich, G; Jones, S P; Kerner, M; Schlenk, J; Schubert, U; Zirke, T

    2016-07-01

    We present the calculation of the cross section and invariant mass distribution for Higgs boson pair production in gluon fusion at next-to-leading order (NLO) in QCD. Top-quark masses are fully taken into account throughout the calculation. The virtual two-loop amplitude has been generated using an extension of the program GoSam supplemented with an interface to Reduze for the integral reduction. The occurring integrals have been calculated numerically using the program SecDec. Our results, including the full top-quark mass dependence for the first time, allow us to assess the validity of various approximations proposed in the literature, which we also recalculate. We find substantial deviations between the NLO result and the different approximations, which emphasizes the importance of including the full top-quark mass dependence at NLO. PMID:27419563

  14. Erythrocyte sodium-lithium countertransport and blood pressure in identical twin pairs discordant for insulin dependent diabetes.

    PubMed Central

    Hardman, T. C.; Dubrey, S. W.; Leslie, D. G.; Hafiz, M.; Noble, M. I.; Lant, A. F.

    1992-01-01

    OBJECTIVE--To investigate whether insulin dependent diabetes is responsible for the abnormal behaviour of the carrier in sodium-lithium countertransport and whether the diabetic state is associated with rise in blood pressure. DESIGN--Case-control study. SETTING--London teaching hospital. SUBJECTS--44 twin pairs discordant for insulin dependent diabetes living in United Kingdom and 44 healthy control subjects matched for age, sex, and body mass index. None of the twin pairs or the controls had evidence of microalbuminuria. MAIN OUTCOME MEASURES--Sodium-lithium countertransport activity in erythrocytes and arterial blood pressure. RESULTS--The mean (95% confidence interval) sodium-lithium countertransport activity (mmol Li per litre of red blood cells per h) of the diabetic twins (0.291 (0.244 to 0.338)) was similar to that of their non-diabetic cotwins (0.247 (0.204 to 0.290)); both values were significantly higher than that of the controls (0.187 (0.157 to 0.216); p < 0.05). In addition, systolic blood pressure was higher in those twins with diabetes (127 (122 to 133) mm Hg) than in the non-diabetic cotwins (122 (117 to 127) mm Hg; p < 0.01). There were no significant differences in mean diastolic blood pressure between any of the groups studied. CONCLUSIONS--The raised erythrocyte sodium-lithium countertransport activity in the diabetic twins compared with the controls seems to be inherited rather than a consequence of overt diabetes. The higher systolic blood pressure in diabetic twins than non-diabetic cotwins indicates that insulin dependent diabetes does exert a small influence on systolic blood pressure. PMID:1392822

  15. Strong domain configuration dependence of the nonlinear dielectric response in (K,Na)NbO{sub 3}-based ceramics

    SciTech Connect

    Huan, Yu; Wang, Xiaohui Li, Longtu; Koruza, Jurij

    2015-11-16

    The nonlinear dielectric response in (Na{sub 0.52}K{sub 0.4425}Li{sub 0.0375})(Nb{sub 0.92−x}Ta{sub x}Sb{sub 0.08})O{sub 3} ceramics with different amounts of Ta was measured using subcoercive electric fields and quantified by the Rayleigh model. The irreversible extrinsic contribution, mainly caused by the irreversible domain wall translation, was strongly dependent on the domain configuration. The irreversible extrinsic contributions remained approximately the same within the single-phase regions, either orthorhombic or tetragonal, due to the similar domain morphology. However, in the polymorphic phase transition region, the domain wall density was increased by minimized domain size, as observed by transmission electron microscopy. This resulted in constrained domain wall motion due to self-clamping and reduced the irreversible extrinsic contribution.

  16. Molecular wave function and effective adiabatic potentials calculated by extended multi-configuration time-dependent Hartree-Fock method

    NASA Astrophysics Data System (ADS)

    Kato, Tsuyoshi; Ide, Yoshihiro; Yamanouchi, Kaoru

    2015-12-01

    We first calculate the ground-state molecular wave function of 1D model H2 molecule by solving the coupled equations of motion formulated in the extended multi-configuration time-dependent Hartree-Fock (MCTDHF) method by the imaginary time propagation. From the comparisons with the results obtained by the Born-Huang (BH) expansion method as well as with the exact wave function, we observe that the memory size required in the extended MCTDHF method is about two orders of magnitude smaller than in the BH expansion method to achieve the same accuracy for the total energy. Second, in order to provide a theoretical means to understand dynamical behavior of the wave function, we propose to define effective adiabatic potential functions and compare them with the conventional adiabatic electronic potentials, although the notion of the adiabatic potentials is not used in the extended MCTDHF approach. From the comparison, we conclude that by calculating the effective potentials we may be able to predict the energy differences among electronic states even for a time-dependent system, e.g., time-dependent excitation energies, which would be difficult to be estimated within the BH expansion approach.

  17. Molecular wave function and effective adiabatic potentials calculated by extended multi-configuration time-dependent Hartree-Fock method

    SciTech Connect

    Kato, Tsuyoshi; Ide, Yoshihiro; Yamanouchi, Kaoru

    2015-12-31

    We first calculate the ground-state molecular wave function of 1D model H{sub 2} molecule by solving the coupled equations of motion formulated in the extended multi-configuration time-dependent Hartree-Fock (MCTDHF) method by the imaginary time propagation. From the comparisons with the results obtained by the Born-Huang (BH) expansion method as well as with the exact wave function, we observe that the memory size required in the extended MCTDHF method is about two orders of magnitude smaller than in the BH expansion method to achieve the same accuracy for the total energy. Second, in order to provide a theoretical means to understand dynamical behavior of the wave function, we propose to define effective adiabatic potential functions and compare them with the conventional adiabatic electronic potentials, although the notion of the adiabatic potentials is not used in the extended MCTDHF approach. From the comparison, we conclude that by calculating the effective potentials we may be able to predict the energy differences among electronic states even for a time-dependent system, e.g., time-dependent excitation energies, which would be difficult to be estimated within the BH expansion approach.

  18. Evidence for a Mass Dependent Forward-Backward Asymmetry in Top Quark Pair Production

    SciTech Connect

    Aaltonen, T.; Alvarez Gonzalez, B.; Amerio, S.; Amidei, D.; Anastassov, A.; Annovi, A.; Antos, J.; Apollinari, G.; Appel, J.A.; Apresyan, A.; Arisawa, T.; /Waseda U. /Dubna, JINR

    2011-01-01

    We present a new measurement of the inclusive forward-backward t{bar t} production asymmetry and its rapidity and mass dependence. The measurements are performed with data corresponding to an integrated luminosity of 5.3 fb{sup -1} of p{bar p} collisions at {radical}s = 1.96 TeV, recorded with the CDF II Detector at the Fermilab Tevatron. Significant inclusive asymmetries are observed in both the laboratory frame and the t{bar t} rest frame, and in both cases are found to be consistent with CP conservation under interchange of t and {bar t}. In the t{bar t} rest frame, the asymmetry is observed to increase with the t{bar t} rapidity difference, {Delta}y, and with the invariant mass M{sub t{bar t}} of the t{bar t} system. Fully corrected parton-level asymmetries are derived in two regions of each variable, and the asymmetry is found to be most significant at large {Delta}y and M{sub t{bar t}}. For M{sub t{bar t}} {ge} 450 GeV/c{sup 2}, the parton-level asymmetry in the t{bar t} rest frame is A{sup t{bar t}} = 0.475 {+-} 0.114 compared to a next-to-leading order QCD prediction of 0.088 {+-} 0.013.

  19. Differential Stabilities and Sequence-Dependent Base Pair Opening Dynamics of Watson–Crick Base Pairs with 5-Hydroxymethylcytosine, 5-Formylcytosine, or 5-Carboxylcytosine

    PubMed Central

    2016-01-01

    5-Hydroxymethylcytosine (5hmC), 5-formylcytosine (5fC), and 5-carboxylcytosine (5caC) form during active demethylation of 5-methylcytosine (5mC) and are implicated in epigenetic regulation of the genome. They are differentially processed by thymine DNA glycosylase (TDG), an enzyme involved in active demethylation of 5mC. Three modified Dickerson–Drew dodecamer (DDD) sequences, amenable to crystallographic and spectroscopic analyses and containing the 5′-CG-3′ sequence associated with genomic cytosine methylation, containing 5hmC, 5fC, or 5caC placed site-specifically into the 5′-T8X9G10-3′ sequence of the DDD, were compared. The presence of 5caC at the X9 base increased the stability of the DDD, whereas 5hmC or 5fC did not. Both 5hmC and 5fC increased imino proton exchange rates and calculated rate constants for base pair opening at the neighboring base pair A5:T8, whereas 5caC did not. At the oxidized base pair G4:X9, 5fC exhibited an increase in the imino proton exchange rate and the calculated kop. In all cases, minimal effects to imino proton exchange rates occurred at the neighboring base pair C3:G10. No evidence was observed for imino tautomerization, accompanied by wobble base pairing, for 5hmC, 5fC, or 5caC when positioned at base pair G4:X9; each favored Watson–Crick base pairing. However, both 5fC and 5caC exhibited intranucleobase hydrogen bonding between their formyl or carboxyl oxygens, respectively, and the adjacent cytosine N4 exocyclic amines. The lesion-specific differences observed in the DDD may be implicated in recognition of 5hmC, 5fC, or 5caC in DNA by TDG. However, they do not correlate with differential excision of 5hmC, 5fC, or 5caC by TDG, which may be mediated by differences in transition states of the enzyme-bound complexes. PMID:25632825

  20. Time-dependent absorption of very high-energy gamma-rays from the Galactic center by pair-production

    SciTech Connect

    Abramowski, Attila; Horns, Dieter; Ripken, Joachim; Gillessen, Stefan; Eldik, Christopher van

    2008-12-24

    Very high energy (VHE) gamma-rays have been detected from the direction of the Galactic center. The H.E.S.S. Cherenkov telescopes have located this {gamma}-ray source with a preliminary position uncertainty of 8.5'' per axis (6'' statistic+6'' sytematic per axis). Within the uncertainty region several possible counterpart candidates exist: the Super Massive Black Hole Sgr A*, the Pulsar Wind Nebula candidate G359.95-0.04, the Low Mass X-Ray Binary-system J174540.0-290031, the stellar cluster IRS 13, as well as self-annihilating dark matter. It is experimentally very challenging to further improve the positional accuracy in this energy range and therefore, it may not be possible to clearly associate one of the counterpart candidates with the VHE-source. Here, we present a new method to investigate a possible link of the VHE-source with the near environment of Sgr A*(within approximately 1000 Schwarzschild radii). This method uses the time- and energy-dependent effect of absorption of VHE {gamma}-rays by pair-production (in the following named pair-eclipse) with low-energy photons of stars closely orbiting the SMBH Sgr A*.

  1. Schwinger pair production in space- and time-dependent electric fields: Relating the Wigner formalism to quantum kinetic theory

    SciTech Connect

    Hebenstreit, F.; Alkofer, R.; Gies, H.

    2010-11-15

    The nonperturbative electron-positron pair production (Schwinger effect) is considered for space- and time-dependent electric fields E-vector(x-vector,t). Based on the Dirac-Heisenberg-Wigner formalism, we derive a system of partial differential equations of infinite order for the 16 irreducible components of the Wigner function. In the limit of spatially homogeneous fields the Vlasov equation of quantum kinetic theory is rediscovered. It is shown that the quantum kinetic formalism can be exactly solved in the case of a constant electric field E(t)=E{sub 0} and the Sauter-type electric field E(t)=E{sub 0}sech{sup 2}(t/{tau}). These analytic solutions translate into corresponding expressions within the Dirac-Heisenberg-Wigner formalism and allow to discuss the effect of higher derivatives. We observe that spatial field variations typically exert a strong influence on the components of the Wigner function for large momenta or for late times.

  2. Electron hole pair mediated vibrational excitation in CO scattering from Au(111): Incidence energy and surface temperature dependence

    SciTech Connect

    Shirhatti, Pranav R.; Werdecker, Jörn; Golibrzuch, Kai; Wodtke, Alec M.; Bartels, Christof

    2014-09-28

    We investigated the translational incidence energy (E{sub i}) and surface temperature (T{sub s}) dependence of CO vibrational excitation upon scattering from a clean Au(111) surface. We report absolute v = 0 → 1 excitation probabilities for E{sub i} between 0.16 and 0.84 eV and T{sub s} between 473 and 973 K. This is now only the second collision system where such comprehensive measurements are available – the first is NO on Au(111). For CO on Au(111), vibrational excitation occurs via direct inelastic scattering through electron hole pair mediated energy transfer – it is enhanced by incidence translation and the electronically non-adiabatic coupling is about 5 times weaker than in NO scattering from Au(111). Vibrational excitation via the trapping desorption channel dominates at E{sub i} = 0.16 eV and quickly disappears at higher E{sub i}.

  3. Contribution of a luminance-dependent S-cone mechanism to non-assimilative color spreading in the watercolor configuration

    PubMed Central

    Kimura, Eiji; Kuroki, Mikako

    2014-01-01

    In the watercolor configuration composed of wavy double contours, both assimilative and non-assimilative color spreading have been demonstrated depending on the luminance conditions of the inner and outer contours (IC and OC, respectively). This study investigated how the induced color in the watercolor configuration was modulated by combinations of the IC and the OC color, particularly addressing non-assimilative color spreading. In two experiments, the IC color was fixed to a certain color and combined with various colors selected from a hue circle centered at the background white color. Color spreading was quantified with a chromatic cancelation technique. Results showed that both the magnitude and the apparent hue of the color spreading were largely changed with the luminance condition. When the IC contrast (Weber contrast of the IC to the background luminance) was smaller in size than the OC contrast (higher IC luminance condition), the color spreading was assimilative. When the luminance condition was reversed and the IC contrast was greater than the OC contrast (lower IC luminance condition), the color spreading was non-assimilative and yellowish. When the color spreading was analyzed in terms of cone-opponent excitations, the results were consistent with the interpretation that the color spreading is explainable by a combination of chromatic diffusion from the IC and chromatically opponent induction from the OC. The color spreading in the higher IC luminance condition mainly reflected the chromatic diffusion by both (L–M) and S cone-opponent mechanisms. The non-assimilative color spreading in the lower IC luminance condition mostly reflected S-cone mediated opponent induction and the contribution of −S inducing mechanisms was differentially large. These findings provided several constraints on possible visual mechanisms underlying the watercolor effect. PMID:25538602

  4. Contribution of a luminance-dependent S-cone mechanism to non-assimilative color spreading in the watercolor configuration.

    PubMed

    Kimura, Eiji; Kuroki, Mikako

    2014-01-01

    In the watercolor configuration composed of wavy double contours, both assimilative and non-assimilative color spreading have been demonstrated depending on the luminance conditions of the inner and outer contours (IC and OC, respectively). This study investigated how the induced color in the watercolor configuration was modulated by combinations of the IC and the OC color, particularly addressing non-assimilative color spreading. In two experiments, the IC color was fixed to a certain color and combined with various colors selected from a hue circle centered at the background white color. Color spreading was quantified with a chromatic cancelation technique. Results showed that both the magnitude and the apparent hue of the color spreading were largely changed with the luminance condition. When the IC contrast (Weber contrast of the IC to the background luminance) was smaller in size than the OC contrast (higher IC luminance condition), the color spreading was assimilative. When the luminance condition was reversed and the IC contrast was greater than the OC contrast (lower IC luminance condition), the color spreading was non-assimilative and yellowish. When the color spreading was analyzed in terms of cone-opponent excitations, the results were consistent with the interpretation that the color spreading is explainable by a combination of chromatic diffusion from the IC and chromatically opponent induction from the OC. The color spreading in the higher IC luminance condition mainly reflected the chromatic diffusion by both (L-M) and S cone-opponent mechanisms. The non-assimilative color spreading in the lower IC luminance condition mostly reflected S-cone mediated opponent induction and the contribution of -S inducing mechanisms was differentially large. These findings provided several constraints on possible visual mechanisms underlying the watercolor effect. PMID:25538602

  5. Paired-Pulse Inhibition in the Auditory Cortex in Parkinson's Disease and Its Dependence on Clinical Characteristics of the Patients

    PubMed Central

    Lukhanina, Elena; Berezetskaya, Natalia; Karaban, Irina

    2011-01-01

    We aimed to determine the value of the paired-pulse inhibition (PPI) in the auditory cortex in patients with Parkinson's disease (PD) and analyze its dependence on clinical characteristics of the patients. The central (Cz) auditory evoked potentials were recorded in 58 patients with PD and 22 age-matched healthy subjects. PPI of the N1/P2 component was significantly (P < .001) reduced for interstimulus intervals 500, 700, and 900 ms in patients with PD compared to control subjects. The value of PPI correlated negatively with the age of the PD patients (P < .05), age of disease onset (P < .05), body bradykinesia score (P < .01), and positively with the Mini Mental State Examination (MMSE) cognitive score (P < .01). Negative correlation between value of PPI and the age of the healthy subjects (P < .05) was also observed. Thus, results show that cortical inhibitory processes are deficient in PD patients and that the brain's ability to carry out the postexcitatory inhibition is age-dependent. PMID:21052541

  6. Structure of Hydronium (H3O+)/Chloride (Cl-) Contact Ion Pairs in Aqueous Hydrochloric Acid Solution: A Zundel-like Local Configuration

    SciTech Connect

    Fulton, John L.; Balasubramanian, Mahalingam

    2010-09-15

    Details of the H3O+ and H2O structure in the first solvation shell about Cl- in aqueous HCl solutions are reported from x-ray absorption fine structure (XAFS) measurements. Results show increasing degrees of contact ion pairing between Cl- and H3O+ as the HCl concentration increases from 6.0 m, 10.0 m and finally 16.1 m HCl (concentrated acid). At the highest acid concentration there are on average, approximately 1.6 H3O+ ions and 4.2 H2O’s in the first shell about Cl-. The structure of the Cl-/H3O+ contact ion pair is distinctly different than that of the H2O structure about Cl-. The Cl-O bond length (2.98Å) for Cl-/H3O+ is approximately 0.16 Å shorter than the Cl-/H2O bond. The bridging proton resides at an intermediate position between Cl and O at 1.60 Å from the Cl- and approximately 1.37 Å from the O of the H3O+. The bridging-proton structure of this contact ion pair, [Cl-H-OH2], is similar to structure of the water Zundel ion, [H2O-H-OH2]+. In both cases there is a shortened Cl-O or O-O bond and the intervening proton bond distances are substantially longer than for the covalent bonds of either HCl or H2O. The results further our understanding of the interaction H3O+ with Cl- that is of interest to fundamental physical chemistry and that has consequences in biochemical, geochemical and atmospheric processes.

  7. Observation of Transverse Spin-Dependent Azimuthal Correlations of Charged Pion Pairs in p↑+p at √{s }=200 GeV

    NASA Astrophysics Data System (ADS)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Aparin, A.; Arkhipkin, D.; Aschenauer, E. C.; Averichev, G. S.; Banerjee, A.; Bellwied, R.; Bhasin, A.; Bhati, A. K.; Bhattarai, P.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Bouchet, J.; Brandin, A. V.; Bunzarov, I.; Burton, T. P.; Butterworth, J.; Caines, H.; Calderón de la Barca Sánchez, M.; Campbell, J. M.; Cebra, D.; Cervantes, M. C.; Chakaberia, I.; Chaloupka, P.; Chang, Z.; Chattopadhyay, S.; Chen, J. H.; Chen, X.; Cheng, J.; Cherney, M.; Christie, W.; Contin, G.; Crawford, H. J.; Das, S.; De Silva, L. C.; Debbe, R. R.; Dedovich, T. G.; Deng, J.; Derevschikov, A. A.; di Ruzza, B.; Didenko, L.; Dilks, C.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Du, C. M.; Dunkelberger, L. E.; Dunlop, J. C.; Efimov, L. G.; Engelage, J.; Eppley, G.; Esha, R.; Evdokimov, O.; Eyser, O.; Fatemi, R.; Fazio, S.; Federic, P.; Fedorisin, J.; Feng, Z.; Filip, P.; Fisyak, Y.; Flores, C. E.; Fulek, L.; Gagliardi, C. A.; Garand, D.; Geurts, F.; Gibson, A.; Girard, M.; Greiner, L.; Grosnick, D.; Gunarathne, D. S.; Guo, Y.; Gupta, S.; Gupta, A.; Guryn, W.; Hamad, A.; Hamed, A.; Haque, R.; Harris, J. W.; He, L.; Heppelmann, S.; Heppelmann, S.; Hirsch, A.; Hoffmann, G. W.; Hofman, D. J.; Horvat, S.; Huang, B.; Huang, X.; Huang, H. Z.; Huck, P.; Humanic, T. J.; Igo, G.; Jacobs, W. W.; Jang, H.; Jiang, K.; Judd, E. G.; Kabana, S.; Kalinkin, D.; Kang, K.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Khan, Z. H.; Kikola, D. P.; Kisel, I.; Kisiel, A.; Kochenda, L.; Koetke, D. D.; Kollegger, T.; Kosarzewski, L. K.; Kraishan, A. F.; Kravtsov, P.; Krueger, K.; Kulakov, I.; Kumar, L.; Kycia, R. A.; Lamont, M. A. C.; Landgraf, J. M.; Landry, K. D.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; Li, X.; Li, C.; Li, W.; Li, Z. M.; Li, Y.; Li, X.; Lisa, M. A.; Liu, F.; Ljubicic, T.; Llope, W. J.; Lomnitz, M.; Longacre, R. S.; Luo, X.; Ma, Y. G.; Ma, G. L.; Ma, L.; Ma, R.; Magdy, N.; Majka, R.; Manion, A.; Margetis, S.; Markert, C.; Masui, H.; Matis, H. S.; McDonald, D.; Meehan, K.; Minaev, N. G.; Mioduszewski, S.; Mohanty, B.; Mondal, M. M.; Morozov, D.; Mustafa, M. K.; Nandi, B. K.; Nasim, Md.; Nayak, T. K.; Nigmatkulov, G.; Nogach, L. V.; Noh, S. Y.; Novak, J.; Nurushev, S. B.; Odyniec, G.; Ogawa, A.; Oh, K.; Okorokov, V.; Olvitt, D.; Page, B. S.; Pak, R.; Pan, Y. X.; Pandit, Y.; Panebratsev, Y.; Pawlik, B.; Pei, H.; Perkins, C.; Peterson, A.; Pile, P.; Planinic, M.; Pluta, J.; Poljak, N.; Poniatowska, K.; Porter, J.; Posik, M.; Poskanzer, A. M.; Pruthi, N. K.; Putschke, J.; Qiu, H.; Quintero, A.; Ramachandran, S.; Raniwala, R.; Raniwala, S.; Ray, R. L.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Roy, A.; Ruan, L.; Rusnak, J.; Rusnakova, O.; Sahoo, N. R.; Sahu, P. K.; Sakrejda, I.; Salur, S.; Sandweiss, J.; Sarkar, A.; Schambach, J.; Scharenberg, R. P.; Schmah, A. M.; Schmidke, W. B.; Schmitz, N.; Seger, J.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shanmuganathan, P. V.; Shao, M.; Sharma, M. K.; Sharma, B.; Shen, W. Q.; Shi, S. S.; Shou, Q. Y.; Sichtermann, E. P.; Sikora, R.; Simko, M.; Skoby, M. J.; Smirnov, D.; Smirnov, N.; Song, L.; Sorensen, P.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Stepanov, M.; Stock, R.; Strikhanov, M.; Stringfellow, B.; Sumbera, M.; Summa, B.; Sun, X.; Sun, Z.; Sun, X. M.; Sun, Y.; Surrow, B.; Svirida, N.; Szelezniak, M. A.; Tang, A. H.; Tang, Z.; Tarnowsky, T.; Tawfik, A. N.; Thomas, J. H.; Timmins, A. R.; Tlusty, D.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Tripathy, S. K.; Trzeciak, B. A.; Tsai, O. D.; Ullrich, T.; Underwood, D. G.; Upsal, I.; Van Buren, G.; van Nieuwenhuizen, G.; Vandenbroucke, M.; Varma, R.; Vasiliev, A. N.; Vertesi, R.; Videbæk, F.; Viyogi, Y. P.; Vokal, S.; Voloshin, S. A.; Vossen, A.; Wang, G.; Wang, Y.; Wang, F.; Wang, Y.; Wang, H.; Wang, J. S.; Webb, J. C.; Webb, G.; Wen, L.; Westfall, G. D.; Wieman, H.; Wissink, S. W.; Witt, R.; Wu, Y. F.; Xiao, Z. G.; Xie, W.; Xin, K.; Xu, Q. H.; Xu, Z.; Xu, H.; Xu, N.; Xu, Y. F.; Yang, Q.; Yang, Y.; Yang, S.; Yang, Y.; Yang, C.; Ye, Z.; Yepes, P.; Yi, L.; Yip, K.; Yoo, I.-K.; Yu, N.; Zbroszczyk, H.; Zha, W.; Zhang, X. P.; Zhang, J.; Zhang, Y.; Zhang, J.; Zhang, J. B.; Zhang, S.; Zhang, Z.; Zhao, J.; Zhong, C.; Zhou, L.; Zhu, X.; Zoulkarneeva, Y.; Zyzak, M.; STAR Collaboration

    2015-12-01

    We report the observation of transverse polarization-dependent azimuthal correlations in charged pion pair production with the STAR experiment in p↑+p collisions at RHIC. These correlations directly probe quark transversity distributions. We measure signals in excess of 5 standard deviations at high transverse momenta, at high pseudorapidities η >0.5 , and for pair masses around the mass of the ρ meson. This is the first direct transversity measurement in p +p collisions.

  8. Observation of Transverse Spin-Dependent Azimuthal Correlations of Charged Pion Pairs in p^{↑}+p at sqrt[s]=200  GeV.

    PubMed

    Adamczyk, L; Adkins, J K; Agakishiev, G; Aggarwal, M M; Ahammed, Z; Alekseev, I; Alford, J; Aparin, A; Arkhipkin, D; Aschenauer, E C; Averichev, G S; Banerjee, A; Bellwied, R; Bhasin, A; Bhati, A K; Bhattarai, P; Bielcik, J; Bielcikova, J; Bland, L C; Bordyuzhin, I G; Bouchet, J; Brandin, A V; Bunzarov, I; Burton, T P; Butterworth, J; Caines, H; Calderón de la Barca Sánchez, M; Campbell, J M; Cebra, D; Cervantes, M C; Chakaberia, I; Chaloupka, P; Chang, Z; Chattopadhyay, S; Chen, J H; Chen, X; Cheng, J; Cherney, M; Christie, W; Contin, G; Crawford, H J; Das, S; De Silva, L C; Debbe, R R; Dedovich, T G; Deng, J; Derevschikov, A A; di Ruzza, B; Didenko, L; Dilks, C; Dong, X; Drachenberg, J L; Draper, J E; Du, C M; Dunkelberger, L E; Dunlop, J C; Efimov, L G; Engelage, J; Eppley, G; Esha, R; Evdokimov, O; Eyser, O; Fatemi, R; Fazio, S; Federic, P; Fedorisin, J; Feng, Z; Filip, P; Fisyak, Y; Flores, C E; Fulek, L; Gagliardi, C A; Garand, D; Geurts, F; Gibson, A; Girard, M; Greiner, L; Grosnick, D; Gunarathne, D S; Guo, Y; Gupta, S; Gupta, A; Guryn, W; Hamad, A; Hamed, A; Haque, R; Harris, J W; He, L; Heppelmann, S; Heppelmann, S; Hirsch, A; Hoffmann, G W; Hofman, D J; Horvat, S; Huang, B; Huang, X; Huang, H Z; Huck, P; Humanic, T J; Igo, G; Jacobs, W W; Jang, H; Jiang, K; Judd, E G; Kabana, S; Kalinkin, D; Kang, K; Kauder, K; Ke, H W; Keane, D; Kechechyan, A; Khan, Z H; Kikola, D P; Kisel, I; Kisiel, A; Kochenda, L; Koetke, D D; Kollegger, T; Kosarzewski, L K; Kraishan, A F; Kravtsov, P; Krueger, K; Kulakov, I; Kumar, L; Kycia, R A; Lamont, M A C; Landgraf, J M; Landry, K D; Lauret, J; Lebedev, A; Lednicky, R; Lee, J H; Li, X; Li, C; Li, W; Li, Z M; Li, Y; Li, X; Lisa, M A; Liu, F; Ljubicic, T; Llope, W J; Lomnitz, M; Longacre, R S; Luo, X; Ma, Y G; Ma, G L; Ma, L; Ma, R; Magdy, N; Majka, R; Manion, A; Margetis, S; Markert, C; Masui, H; Matis, H S; McDonald, D; Meehan, K; Minaev, N G; Mioduszewski, S; Mohanty, B; Mondal, M M; Morozov, D; Mustafa, M K; Nandi, B K; Nasim, Md; Nayak, T K; Nigmatkulov, G; Nogach, L V; Noh, S Y; Novak, J; Nurushev, S B; Odyniec, G; Ogawa, A; Oh, K; Okorokov, V; Olvitt, D; Page, B S; Pak, R; Pan, Y X; Pandit, Y; Panebratsev, Y; Pawlik, B; Pei, H; Perkins, C; Peterson, A; Pile, P; Planinic, M; Pluta, J; Poljak, N; Poniatowska, K; Porter, J; Posik, M; Poskanzer, A M; Pruthi, N K; Putschke, J; Qiu, H; Quintero, A; Ramachandran, S; Raniwala, R; Raniwala, S; Ray, R L; Ritter, H G; Roberts, J B; Rogachevskiy, O V; Romero, J L; Roy, A; Ruan, L; Rusnak, J; Rusnakova, O; Sahoo, N R; Sahu, P K; Sakrejda, I; Salur, S; Sandweiss, J; Sarkar, A; Schambach, J; Scharenberg, R P; Schmah, A M; Schmidke, W B; Schmitz, N; Seger, J; Seyboth, P; Shah, N; Shahaliev, E; Shanmuganathan, P V; Shao, M; Sharma, M K; Sharma, B; Shen, W Q; Shi, S S; Shou, Q Y; Sichtermann, E P; Sikora, R; Simko, M; Skoby, M J; Smirnov, D; Smirnov, N; Song, L; Sorensen, P; Spinka, H M; Srivastava, B; Stanislaus, T D S; Stepanov, M; Stock, R; Strikhanov, M; Stringfellow, B; Sumbera, M; Summa, B; Sun, X; Sun, Z; Sun, X M; Sun, Y; Surrow, B; Svirida, N; Szelezniak, M A; Tang, A H; Tang, Z; Tarnowsky, T; Tawfik, A N; Thomas, J H; Timmins, A R; Tlusty, D; Tokarev, M; Trentalange, S; Tribble, R E; Tribedy, P; Tripathy, S K; Trzeciak, B A; Tsai, O D; Ullrich, T; Underwood, D G; Upsal, I; Van Buren, G; van Nieuwenhuizen, G; Vandenbroucke, M; Varma, R; Vasiliev, A N; Vertesi, R; Videbæk, F; Viyogi, Y P; Vokal, S; Voloshin, S A; Vossen, A; Wang, G; Wang, Y; Wang, F; Wang, Y; Wang, H; Wang, J S; Webb, J C; Webb, G; Wen, L; Westfall, G D; Wieman, H; Wissink, S W; Witt, R; Wu, Y F; Xiao, Z G; Xie, W; Xin, K; Xu, Q H; Xu, Z; Xu, H; Xu, N; Xu, Y F; Yang, Q; Yang, Y; Yang, S; Yang, Y; Yang, C; Ye, Z; Yepes, P; Yi, L; Yip, K; Yoo, I-K; Yu, N; Zbroszczyk, H; Zha, W; Zhang, X P; Zhang, J; Zhang, Y; Zhang, J; Zhang, J B; Zhang, S; Zhang, Z; Zhao, J; Zhong, C; Zhou, L; Zhu, X; Zoulkarneeva, Y; Zyzak, M

    2015-12-11

    We report the observation of transverse polarization-dependent azimuthal correlations in charged pion pair production with the STAR experiment in p^{↑}+p collisions at RHIC. These correlations directly probe quark transversity distributions. We measure signals in excess of 5 standard deviations at high transverse momenta, at high pseudorapidities η>0.5, and for pair masses around the mass of the ρ meson. This is the first direct transversity measurement in p+p collisions. PMID:26705627

  9. Analytic derivative couplings for spin-flip configuration interaction singles and spin-flip time-dependent density functional theory

    SciTech Connect

    Zhang, Xing; Herbert, John M.

    2014-08-14

    We revisit the calculation of analytic derivative couplings for configuration interaction singles (CIS), and derive and implement these couplings for its spin-flip variant for the first time. Our algorithm is closely related to the CIS analytic energy gradient algorithm and should be straightforward to implement in any quantum chemistry code that has CIS analytic energy gradients. The additional cost of evaluating the derivative couplings is small in comparison to the cost of evaluating the gradients for the two electronic states in question. Incorporation of an exchange-correlation term provides an ad hoc extension of this formalism to time-dependent density functional theory within the Tamm-Dancoff approximation, without the need to invoke quadratic response theory or evaluate third derivatives of the exchange-correlation functional. Application to several different conical intersections in ethylene demonstrates that minimum-energy crossing points along conical seams can be located at substantially reduced cost when analytic derivative couplings are employed, as compared to use of a branching-plane updating algorithm that does not require these couplings. Application to H{sub 3} near its D{sub 3h} geometry demonstrates that correct topology is obtained in the vicinity of a conical intersection involving a degenerate ground state.

  10. Strong-field ionization rates of linear polyenes simulated with time-dependent configuration interaction with an absorbing potential

    SciTech Connect

    Krause, Pascal; Schlegel, H. Bernhard

    2014-11-07

    The strong field ionization rates for ethylene, trans 1,3-butadiene, and trans,trans 1,3,5-hexatriene have been calculated using time-dependent configuration interaction with single excitations and a complex absorbing potential (TDCIS-CAP). The calculations used the aug-cc-pVTZ basis set with a large set of diffuse functions (3 s, 2 p, 3 d, and 1 f) on each atom. The absorbing boundary was placed 3.5 times the van der Waals radius from each atom. The simulations employed a seven-cycle cosine squared pulse with a wavelength of 800 nm. Ionization rates were calculated for intensities ranging from 0.3 × 10{sup 14} W/cm{sup 2} to 3.5 × 10{sup 14} W/cm{sup 2}. Ionization rates along the molecular axis increased markedly with increasing conjugation length. By contrast, ionization rates perpendicular to the molecular axis were almost independent of the conjugation length.

  11. Using a pruned, nondirect product basis in conjunction with the multi-configuration time-dependent Hartree (MCTDH) method

    NASA Astrophysics Data System (ADS)

    Wodraszka, Robert; Carrington, Tucker

    2016-07-01

    In this paper, we propose a pruned, nondirect product multi-configuration time dependent Hartree (MCTDH) method for solving the Schrödinger equation. MCTDH uses optimized 1D basis functions, called single particle functions, but the size of the standard direct product MCTDH basis scales exponentially with D, the number of coordinates. We compare the pruned approach to standard MCTDH calculations for basis sizes small enough that the latter are possible and demonstrate that pruning the basis reduces the CPU cost of computing vibrational energy levels of acetonitrile (D = 12) by more than two orders of magnitude. Using the pruned method, it is possible to do calculations with larger bases, for which the cost of standard MCTDH calculations is prohibitive. Pruning the basis complicates the evaluation of matrix-vector products. In this paper, they are done term by term for a sum-of-products Hamiltonian. When no attempt is made to exploit the fact that matrices representing some of the factors of a term are identity matrices, one needs only to carefully constrain indices. In this paper, we develop new ideas that make it possible to further reduce the CPU time by exploiting identity matrices.

  12. Strong-field ionization rates of linear polyenes simulated with time-dependent configuration interaction with an absorbing potential.

    PubMed

    Krause, Pascal; Schlegel, H Bernhard

    2014-11-01

    The strong field ionization rates for ethylene, trans 1,3-butadiene, and trans,trans 1,3,5-hexatriene have been calculated using time-dependent configuration interaction with single excitations and a complex absorbing potential (TDCIS-CAP). The calculations used the aug-cc-pVTZ basis set with a large set of diffuse functions (3 s, 2 p, 3 d, and 1 f) on each atom. The absorbing boundary was placed 3.5 times the van der Waals radius from each atom. The simulations employed a seven-cycle cosine squared pulse with a wavelength of 800 nm. Ionization rates were calculated for intensities ranging from 0.3 × 10(14) W/cm(2) to 3.5 × 10(14) W/cm(2). Ionization rates along the molecular axis increased markedly with increasing conjugation length. By contrast, ionization rates perpendicular to the molecular axis were almost independent of the conjugation length. PMID:25381499

  13. Casimir dependence of transverse distribution of pairs produced from a strong constant chromo-electric background field

    SciTech Connect

    Cooper, Fred M; Mihaila, Bogdan; Dawson, John F

    2008-01-01

    Recently the transverse distribution of particle production from strong constant chromo-electric fields has been explicitly calculated in Ref. 1 for soft-gluon production and in Ref. 2 for quark (antiquark) production. This particle production method, originally discussed by Heisenberg and Euler, Schwinger and Weisskopf, has a long history as a model of the production of the quark gluon plasma following a relativistic heavy ion collision. The physical picture considered here is that of two relativistic heavy nuclei colliding and leaving behind a semi-classical gluon field which then non-perturbatively produces gluon and quark-antiquark pairs via the Schwinger mechanism. At high energy large hadron colliders, such as RHIC (Au-Au collisions at {radical}{ovr s} = 200 GeV) and LHC (Pb-Pb collisions at {radical}{ovr s} = 5.5 TeV), about half the total center-of-mass energy, E{sub cm}, goes into the production of a semi-classical gluon field, which can be thought to be initially in a Lorentz contracted disc. The gluon field in SU(3) is described by two Casimir invariants, the first one, C{sub 1} = E{sup a}E{sup a}, being related to the energy density of the initial field, where the second one, C{sub 2} = [d{sub abc}E{sup a}E{sup b}E{sup c}]{sup 2}, is related to the SU(3) color hypercharge left behind by the leading particles. So the question we want to study in this short note is how sensitive the transverse distribution is to this second Casimir invariant C{sub 2}. We have considered the dependence of the pair production rate of quarks and gluons from a strong chromo-electric field and have discovered that the effect of the second Casimir invariant of SU(3), which was not present in the electric field problem, effects the distribution by less than 15%. This event by event dependence of the transverse momentum distribution of jets on C{sub 2} may be something of interest at heavy ion colliders.

  14. An Unusual Genomic Position Effect on Drosophila White Gene Expression: Pairing Dependence, Interactions with Zeste, and Molecular Analysis of Revertants

    PubMed Central

    Hazelrigg, T.; Petersen, S.

    1992-01-01

    The white gene in the A(R)4-24 P[white,rosy] insertion on chromosome 2 has a novel expression pattern, in which it is repressed in the dorsal half of the eye. X-ray mutagenesis led to the isolation of six revertants mapping to chromosome 2, which are wild type in a zeste(+) background, and three extreme derivatives, in which white gene expression is repressed in ventral regions of the eye as well. By Southern blot analyses the breakpoints of five of the revertants and one of the extreme derivatives were mapped in the flanking DNA bordering each side of the A(R)4-24 insertion. The revertants show some dorsal repression of white in the presence of z(1), and by this criterion each is only a partial revertant. The extreme derivatives act not only in cis, but also in trans to repress expression of A(R)4-24 and its various derivatives. We provide evidence that these trans effects are proximity-dependent effects, possibly mediated by pairing of gene copies, as they do not extend to copies of the white gene located elsewhere in the genome. We show that one extreme derivative, E1, is a small deletion spanning the insertion site at the 5' end of the white gene, and propose that the distance between a negative regulatory element in the 5' flanking DNA and the white promoter influences the degree of the repression. PMID:1732157

  15. Close, stable homolog juxtaposition during meiosis in budding yeast is dependent on meiotic recombination, occurs independently of synapsis, and is distinct from DSB-independent pairing contacts

    PubMed Central

    Peoples, Tamara L.; Dean, Eric; Gonzalez, Oscar; Lambourne, Lindsey; Burgess, Sean M.

    2002-01-01

    A site-specific recombination system that probes the relative probabilities that pairs of chromosomal loci collide with one another in living cells of budding yeast was used to explore the relative contributions of pairing, recombination, synaptonemal complex formation, and telomere clustering to the close juxtaposition of homologous chromosome pairs during meiosis. The level of Cre-mediated recombination between a pair of loxP sites located at an allelic position on homologous chromosomes was 13-fold greater than that between a pair of loxP sites located at ectopic positions on nonhomologous chromosomes. Mutations affecting meiotic recombination initiation and the processing of DNA double-strand breaks (DSBs) into single-end invasions (SEIs) reduced the levels of allelic Cre-mediated recombination levels by three- to sixfold. The severity of Cre/loxP phenotypes is presented in contrast to relatively weak DSB-independent pairing defects as assayed using fluorescence in situ hybridization for these mutants. Mutations affecting synaptonemal complex (SC) formation or crossover control gave wild-type levels of allelic Cre-mediated recombination. A delay in attaining maximum levels of allelic Cre-mediated recombination was observed for a mutant defective in telomere clustering. None of the mutants affected ectopic levels of recombination. These data suggest that stable, close homolog juxtaposition in yeast is distinct from pre-DSB pairing interactions, requires both DSB and SEI formation, but does not depend on crossovers or SC. PMID:12101126

  16. Domain-specific perceptual causality in children depends on the spatio-temporal configuration, not motion onset

    PubMed Central

    Schlottmann, Anne; Cole, Katy; Watts, Rhianna; White, Marina

    2013-01-01

    Humans, even babies, perceive causality when one shape moves briefly and linearly after another. Motion timing is crucial in this and causal impressions disappear with short delays between motions. However, the role of temporal information is more complex: it is both a cue to causality and a factor that constrains processing. It affects ability to distinguish causality from non-causality, and social from mechanical causality. Here we study both issues with 3- to 7-year-olds and adults who saw two computer-animated squares and chose if a picture of mechanical, social or non-causality fit each event best. Prior work fit with the standard view that early in development, the distinction between the social and physical domains depends mainly on whether or not the agents make contact, and that this reflects concern with domain-specific motion onset, in particular, whether the motion is self-initiated or not. The present experiments challenge both parts of this position. In Experiments 1 and 2, we showed that not just spatial, but also animacy and temporal information affect how children distinguish between physical and social causality. In Experiments 3 and 4 we showed that children do not seem to use spatio-temporal information in perceptual causality to make inferences about self- or other-initiated motion onset. Overall, spatial contact may be developmentally primary in domain-specific perceptual causality in that it is processed easily and is dominant over competing cues, but it is not the only cue used early on and it is not used to infer motion onset. Instead, domain-specific causal impressions may be automatic reactions to specific perceptual configurations, with a complex role for temporal information. PMID:23874308

  17. Domain-specific perceptual causality in children depends on the spatio-temporal configuration, not motion onset.

    PubMed

    Schlottmann, Anne; Cole, Katy; Watts, Rhianna; White, Marina

    2013-01-01

    Humans, even babies, perceive causality when one shape moves briefly and linearly after another. Motion timing is crucial in this and causal impressions disappear with short delays between motions. However, the role of temporal information is more complex: it is both a cue to causality and a factor that constrains processing. It affects ability to distinguish causality from non-causality, and social from mechanical causality. Here we study both issues with 3- to 7-year-olds and adults who saw two computer-animated squares and chose if a picture of mechanical, social or non-causality fit each event best. Prior work fit with the standard view that early in development, the distinction between the social and physical domains depends mainly on whether or not the agents make contact, and that this reflects concern with domain-specific motion onset, in particular, whether the motion is self-initiated or not. The present experiments challenge both parts of this position. In Experiments 1 and 2, we showed that not just spatial, but also animacy and temporal information affect how children distinguish between physical and social causality. In Experiments 3 and 4 we showed that children do not seem to use spatio-temporal information in perceptual causality to make inferences about self- or other-initiated motion onset. Overall, spatial contact may be developmentally primary in domain-specific perceptual causality in that it is processed easily and is dominant over competing cues, but it is not the only cue used early on and it is not used to infer motion onset. Instead, domain-specific causal impressions may be automatic reactions to specific perceptual configurations, with a complex role for temporal information. PMID:23874308

  18. Some further results on incorporating risk factor information in assessing the dependence between paired failure times arising from case-control family studies: an application to prostate cancer.

    PubMed

    Hsu, Li; Prentice, Ross L; Stanford, Janet L

    2002-03-30

    In a typical case-control family study, detailed risk factor information is often collected on cases and controls, but not on their relatives for reasons of cost and logistical difficulty in locating the relatives. The impact of missing risk factor information for relatives on estimation of the strength of dependence between the disease risk of pairs of relatives is largely unknown. In this paper, we extend our earlier work on estimating the dependence of ages at onset between paired relatives from case-control family data to include covariates on cases and controls, and possibly relatives. Using population-based case-control families as our basic data structure, we study the effect of missing covariates for relatives and/or cases and controls on the bias of certain dependence parameter estimators via a simulation study. Finally we illustrate various analyses using a case-control family study of early onset prostate cancer. PMID:11870822

  19. Efficient aminoacylation of the tRNA(Ala) acceptor stem: dependence on the 2:71 base pair.

    PubMed Central

    Beuning, Penny J; Nagan, Maria C; Cramer, Christopher J; Musier-Forsyth, Karin; Gelpí, Josep-Lluis; Bashford, Donald

    2002-01-01

    Specific aminoacylation by aminoacyl-tRNA synthetases requires accurate recognition of cognate tRNA substrates. In the case of alanyl-tRNA synthetase (AlaRS), RNA duplexes that mimic the acceptor stem of the tRNA are efficient substrates for aminoacylation in vitro. It was previously shown that recognition by AlaRS is severely affected by a simple base pair transversion of the G2:C71 pair at the second position in the RNA helix. In this study, we determined the aminoacylation efficiencies of 50 variants of the tRNA(Ala) acceptor stem containing substitutions at the 2:71 position. We find that there is not a single functional group of the wild-type G2:C71 base pair that is critical for positive recognition. Rather, we observed that base-pair orientation plays an important role in recognition. In particular, pyrimidine2:purine71 combinations generally resulted in decreased aminoacylation efficiency compared to the corresponding purine:pyrimidine pair. Moreover, the activity of a pyrimidine:purine variant could be partially restored by the presence of a major groove amino group at position 71. In an attempt to understand this result further, dielectric continuum electrostatic calculations were carried out, in some cases with additional inclusion of van der Waals interaction energies, to determine interaction potentials of the wild-type duplexAla and seven 2:71 variants. This analysis revealed a positive correlation between major groove negative electrostatic potential in the vicinity of the 3:70 base pair and measured aminoacylation efficiency. PMID:12022232

  20. Pressure dependence of the configurational bistability and deep electronic levels of the MFe center in InP

    NASA Astrophysics Data System (ADS)

    Samara, G. A.; Barnes, C. E.

    2006-04-01

    The influence of hydrostatic pressure on the structural bistability and electronic properties of the processing-induced MFe center in Fe-doped n -type InP was investigated. Earlier work has shown that, when occupied by electrons, the center can be reversibly placed in either of two configurations, termed A and B , by the proper choice of electric biasing conditions and temperature. Pressure strongly modifies the energetics and kinetics of the various electronic transitions and of the transformations associated with the center. The activation volumes (ΔV*) for these processes were determined. In the absence of barriers to electron capture, or for small barriers, ΔV* can be interpreted as the breathing mode relaxation associated with electron emission or capture. At pressures ⩾8kbar , the center exists only in the A configuration regardless of bias conditions, because at these pressures the energetics and kinetics of the various processes have changed so much as to always favor the A configuration. It is also shown that, whereas the A⇄B transformations are charge state controlled at 1bar , this is not the case at high pressure where the transformations can be brought about without electron emission or hole capture. Earlier tentative atomic models for the center are discussed, and it is shown that some features of one of the models including the signs of the breathing mode relaxations associated with the various electron emissions are consistent with the experimental results, but issues remain. The results are also found to be generally consistent with first-principles calculations on defects in InP, but it is emphasized that whereas these calculations are for simple defects, the defects associated with the MFe center are more complex.

  1. Extending the RIT-Dupont suprathreshold data set: Weighted individual discrimination pair data and new chroma dependency visual data

    NASA Astrophysics Data System (ADS)

    Hou, Bingxin

    Since the 1980's, the RIT-DuPont dataset has been used extensively for color-difference formula development and testing. In the past, the dataset was published as 156 color median tolerances along specific vector directions about 19 color centers. The median tolerance, referred to as T 50, is the estimated absolute magnitude of the color difference at which 50% of the population will accept or reject a pair relative to an anchor pair. 1D Probit analysis, a univariate statistical technique that locates a median threshold from a binary response data, was used to transform judgments of 958 color-difference pairs by 50 observers to 156 T50 tolerances. In order to recover the losses of colorimetric values of RIT-DuPont data, a symmetric sampling method resulting in no significant differences in the color difference calculations was used. In addition, a method based on Gaussian function was devised to assign a visual uncertainty weighting to each of these pairs using the method of maximum likelihood. The weighted dataset was found to be equivalent to the T50 tolerances. Also a visual experiment was performed to generate suprathreshold tolerances sampled in the IPT chroma direction thereby extending the RIT-DuPont dataset. Forty color centers including 20 hue angles at two different lightness and chroma levels for each hue angle were evaluated for chroma discrimination. Fifty observers participated and a total of 14,000 visual observations were made. Probit analysis was also used to determine the chroma discrimination threshold T50_DeltaC, color difference threshold T50_DeltaE, and fiducial limits for each color center in IPT space. The chroma tolerances increase with the color center's chroma. After transforming from 2° to 10° standard observer, this new chroma dataset was used to optimize a new color-difference formula in CIELAB, the formula indicating the need for a nonlinear correction to chroma.

  2. Migration of helium-pair in metals

    NASA Astrophysics Data System (ADS)

    Cao, J. L.; Geng, W. T.

    2016-09-01

    We have carried out a first-principles density functional theory investigation into the migration of both a single interstitial He and an interstitial He-pair in Fe, Mo, W, Cu, Pd, and Pt. We find the migration trajectories and barriers are determined predominantly by low-energy He-pair configurations which depend mainly on the energy state of a single He in different interstices. The migration barrier for a He-pair in bcc metals is always slightly higher than for a single He. Configurations of a He-pair in fcc metals are very complicated, due to the existence of interstitial sites with nearly identical energy for a single He. The migration barrier for a He-pair is slightly lower than (in Cu), or similar to (in Pd and Pt) a single He. The collective migrations of a He-pair are ensured by strong Hesbnd He interactions with strength-versus-distance forms resembling chemical bonds and can be described with Morse potentials.

  3. String pair production in non homogeneous backgrounds

    NASA Astrophysics Data System (ADS)

    Bolognesi, S.; Rabinovici, E.; Tallarita, G.

    2016-04-01

    We consider string pair production in non homogeneous electric backgrounds. We study several particular configurations which can be addressed with the Euclidean world-sheet instanton technique, the analogue of the world-line instanton for particles. In the first case the string is suspended between two D-branes in flat space-time, in the second case the string lives in AdS and terminates on one D-brane (this realizes the holographic Schwinger effect). In some regions of parameter space the result is well approximated by the known analytical formulas, either the particle pair production in non-homogeneous background or the string pair production in homogeneous background. In other cases we see effects which are intrinsically stringy and related to the non-homogeneity of the background. The pair production is enhanced already for particles in time dependent electric field backgrounds. The string nature enhances this even further. For spacial varying electrical background fields the string pair production is less suppressed than the rate of particle pair production. We discuss in some detail how the critical field is affected by the non-homogeneity, for both time and space dependent electric field backgrouds. We also comment on what could be an interesting new prediction for the small field limit. The third case we consider is pair production in holographic confining backgrounds with homogeneous and non-homogeneous fields.

  4. Paired Burst Stimulation Causes GABAA Receptor-Dependent Spike Firing Facilitation in CA1 of Rat Hippocampal Slices

    PubMed Central

    Tominaga, Takashi; Tominaga, Yoko

    2016-01-01

    The theta oscillation (4–8 Hz) is a pivotal form of oscillatory activity in the hippocampus that is intermittently concurrent with gamma (25–100 Hz) burst events. In in vitro preparation, a stimulation protocol that mimics the theta oscillation, theta burst stimulation (TBS), is used to induce long-term potentiation. Thus, TBS is thought to have a distinct role in the neural network of the hippocampal slice preparation. However, the specific mechanisms that make TBS induce such neural circuit modifications are still unknown. Using electrophysiology and voltage-sensitive dye imaging (VSDI), we have found that TBS induces augmentation of spike firing. The augmentation was apparent in the first couple of brief burst stimulation (100 Hz four pulses) on a TBS-train in a presence of NMDA receptor blocker (APV 50 μM). In this study, we focused on the characterizes of the NMDA independent augmentation caused by a pair of the brief burst stimulation (the first pair of the TBS; paired burst stimulation-PBS). We found that PBS enhanced membrane potential responses on VSDI signal and intracellular recordings while it was absent in the current recording under whole-cell clamp condition. The enhancement of the response accompanied the augmentation of excitatory postsynaptic potential (EPSP) to spike firing (E-S) coupling. The paired burst facilitation (PBF) reached a plateau when the number of the first burst stimulation (priming burst) exceeds three. The interval between the bursts of 150 ms resulted in the maximum PBF. Gabazine (a GABAA receptor antagonist) abolished PBF. The threshold for spike generation of the postsynaptic cells measured with a current injection to cells was not lowered by the priming burst of PBS. These results indicate that PBS activates the GABAergic system to cause short-term E-S augmentation without raising postsynaptic excitability. We propose that a GABAergic system of area CA1 of the hippocampus produce the short-term E-S plasticity that could

  5. Electron-correlation effects in enhanced ionization of molecules: A time-dependent generalized-active-space configuration-interaction study

    NASA Astrophysics Data System (ADS)

    Chattopadhyay, S.; Bauch, S.; Madsen, L. B.

    2015-12-01

    We numerically study models of H2 and LiH molecules, aligned collinearly with the linear polarization of the external field, to elucidate the possible role of correlation in the enhanced-ionization (EI) phenomena. Correlation is considered at different levels of approximation with the time-dependent generalized-active-space configuration-interaction method. The results of our studies show that enhanced ionization occurs in multielectron molecules and that correlation is important, and they also demonstrate significant deviations between the results of the single-active-electron approximation and more accurate configuration-interaction methods. We further investigate the role of low-lying excited states in the EI phenomena. With the inclusion of correlation we show strong carrier-envelope-phase effects in the enhanced ionization of the asymmetric heteronuclear LiH -like molecule. The correlated calculation shows an intriguing feature of crossover in enhanced ionization with two carrier-envelope phases at critical internuclear separation.

  6. Dirac-Hartree-Bogoliubov calculation for spherical and deformed hot nuclei: Temperature dependence of the pairing energy and gaps, nuclear deformation, nuclear radii, excitation energy, and entropy

    NASA Astrophysics Data System (ADS)

    Lisboa, R.; Malheiro, M.; Carlson, B. V.

    2016-02-01

    Background: Unbound single-particle states become important in determining the properties of a hot nucleus as its temperature increases. We present relativistic mean field (RMF) for hot nuclei considering not only the self-consistent temperature and density dependence of the self-consistent relativistic mean fields but also the vapor phase that takes into account the unbound nucleon states. Purpose: The temperature dependence of the pairing gaps, nuclear deformation, radii, binding energies, entropy, and caloric curves of spherical and deformed nuclei are obtained in self-consistent RMF calculations up to the limit of existence of the nucleus. Method: We perform Dirac-Hartree-Bogoliubov (DHB) calculations for hot nuclei using a zero-range approximation to the relativistic pairing interaction to calculate proton-proton and neutron-neutron pairing energies and gaps. A vapor subtraction procedure is used to account for unbound states and to remove long range Coulomb repulsion between the hot nucleus and the gas as well as the contribution of the external nucleon gas. Results: We show that p -p and n -n pairing gaps in the S10 channel vanish for low critical temperatures in the range Tcp≈0.6 -1.1 MeV for spherical nuclei such as 90Zr, 124Sn, and 140Ce and for both deformed nuclei 150Sm and 168Er. We found that superconducting phase transition occurs at Tcp=1.03 Δp p(0 ) for 90Zr, Tcp=1.16 Δp p(0 ) for 140Ce, Tcp=0.92 Δp p(0 ) for 150Sm, and Tcp=0.97 Δp p(0 ) for 168Er. The superfluidity phase transition occurs at Tcp=0.72 Δn n(0 ) for 124Sn, Tcp=1.22 Δn n(0 ) for 150Sm, and Tcp=1.13 Δn n(0 ) for 168Er. Thus, the nuclear superfluidity phase—at least for this channel—can only survive at very low nuclear temperatures and this phase transition (when the neutron gap vanishes) always occurs before the superconducting one, where the proton gap is zero. For deformed nuclei the nuclear deformation disappear at temperatures of about Tcs=2.0 -4.0 MeV , well above the

  7. Inductrack magnet configuration

    DOEpatents

    Post, Richard Freeman

    2003-10-14

    A magnet configuration comprising a pair of Halbach arrays magnetically and structurally connected together are positioned with respect to each other so that a first component of their fields substantially cancels at a first plane between them, and a second component of their fields substantially adds at this first plane. A track of windings is located between the pair of Halbach arrays and a propulsion mechanism is provided for moving the pair of Halbach arrays along the track. When the pair of Halbach arrays move along the track and the track is not located at the first plane, a current is induced in the windings and a restoring force is exerted on the pair of Halbach arrays.

  8. Inductrack magnet configuration

    DOEpatents

    Post, Richard Freeman

    2003-12-16

    A magnet configuration comprising a pair of Halbach arrays magnetically and structurally connected together are positioned with respect to each other so that a first component of their fields substantially cancels at a first plane between them, and a second component of their fields substantially adds at this first plane. A track of windings is located between the pair of Halbach arrays and a propulsion mechanism is provided for moving the pair of Halbach arrays along the track. When the pair of Halbach arrays move along the track and the track is not located at the first plane, a current is induced in the windings and a restoring force is exerted on the pair of Halbach arrays.

  9. Measurements of the angular dependence of the nonlinear transverse magnetic moment of YBCO as a probe of the pairing-state symmetry

    NASA Astrophysics Data System (ADS)

    Bhattacharya, Anand

    The symmetry of the superconducting order parameter reflects the symmetries in the underlying mechanism of electron pairing, such as 's-wave ' symmetry for conventional BCS superconductors with a phonon mediated pairing mechanism. The High-Tc superconductors are widely believed to be unconventional, inasmuch the conventional BCS theory fails to describe their physical properties. Amongst the proposed theories for describing these novel superconductors, the leading candidate for the pairing state symmetry is dx2-y2 or 'd-wave'. This state has a lower symmetry than the underlying Fermi surface, has nodes where the order parameter changes sign and the gap goes to zero on the Fermi surface, with a finite density of states for the lowest lying excitations. In order to study the pairing symmetry, we have developed a technique that uses the nonlinear Meissner effect in the transverse magnetic moment (NLTM) as a probe of the low energy excitations, below 1 meV. The predictions for this effect are known from exact numerical calculations based on the ideas of Yip and Sauls. In this thesis, our experiment is motivated with a brief overview of the pairing state problem. Techniques for sample preparation as also the development of various instrumentation techniques to study the angular dependence of the NLTM are described, and the results of our experiments are presented. Our data on high quality single crystals of YBa2Cu3O6.95 support a minimum gap of 0.5--0.75 meV in the quasiparticle excitation spectrum at all points on the Fermi surface. This is contrary to pure ' d-wave' symmetry, but does not rule out gap functions with deep minima or 'quasinode'.

  10. Energy relaxation and separation of a hot electron-hole pair in organic aggregates from a time-dependent wavepacket diffusion method

    SciTech Connect

    Han, Lu; Liang, WanZhen; Zhao, Yi; Zhong, Xinxin

    2014-06-07

    The time-dependent wavepacket diffusive method [X. Zhong and Y. Zhao, J. Chem. Phys. 138, 014111 (2013)] is extended to investigate the energy relaxation and separation of a hot electron-hole pair in organic aggregates with incorporation of Coulomb interaction and electron-phonon coupling. The pair initial condition generated by laser pulse is represented by a Gaussian wavepacket with a central momentum. The results reveal that the hot electron energy relaxation is very well described by two rate processes with the fast rate much larger than the slow one, consistent with experimental observations, and an efficient electron-hole separation is accomplished accompanying the fast energy relaxation. Furthermore, although the extra energy indeed helps the separation by overcoming the Coulomb interaction, the width of initial wavepacket is much sensitive to the separation efficiency and the narrower wavepacket generates the more separated charges. This behavior may be useful to understand the experimental controversy of the hot carrier effect on charge separation.

  11. Carboxyl pKa Values, Ion Pairs, Hydrogen Bonding, and the pH Dependence of Folding the Hyperthermophile Proteins Sac7d and Sso7d

    PubMed Central

    Clark, Andrew T.; Smith, Kelley; Muhandiram, Ranjith; Edmondson, Stephen P.; Shriver, John W.

    2007-01-01

    Sac7d and Sso7d are homologous, hyperthermophile proteins with a high density of charged surface residues and potential ion pairs. To determine the relative importance of specific amino acid side chains in defining the stability and function of these Archaeal chromatin proteins, pKas were measured for all of the acidic residues in both proteins using 13C NMR chemical shifts. The stability of Sso7d enabled titrations to pH 1 under low salt conditions. Two aspartate residues in Sso7d (D16 and D35) and a single glutamate residue (G54) showed significantly perturbed pKa values in low salt, indicating that the observed pH dependence of stability was primarily due to these three residues. The pH dependence of backbone amide NMR resonances demonstrated that perturbation of all three pKas was primarily the result of side chain-backbone amide hydrogen bonds. Titration data at higher salt for both Sso7d and Sac7d were consistent with this interpretation. Few of the significantly perturbed acidic pKas in Sac7d and Sso7d could be attributed to primarily ion pair or electrostatic interactions. A smaller perturbation of E48 (E47 in Sac7d) was ascribed to an ion pair interaction that may be important in defining the DNA binding surface. The small number (3) of significantly altered pKa values was in good agreement with a linkage analysis of the temperature, pH, and salt dependence of folding. The linkage of the ionization of two or more side chains to protein folding leads to apparent cooperativity in the pH dependence of folding, although each group titrates independently with a Hill coefficient near unity. These results demonstrate that the acid pH dependence of protein stability in these hyperthermophile proteins is due to independent titration of acidic residues with pKas perturbed primarily by hydrogen bonding of the side chain to the backbone. This work demonstrates the need for caution in using structural data alone to argue the importance of ion pairs in stabilizing

  12. Population based study of prevalence of islet cell autoantibodies in monozygotic and dizygotic Danish twin pairs with insulin dependent diabetes mellitus.

    PubMed Central

    Petersen, J. S.; Kyvik, K. O.; Bingley, P. J.; Gale, E. A.; Green, A.; Dyrberg, T.; Beck-Nielsen, H.

    1997-01-01

    OBJECTIVE: To study the comparative importance of environment and genes in the development of islet cell autoimmunity associated with insulin dependent diabetes mellitus. DESIGN: Population based study of diabetic twins. SETTING: Danish population. SUBJECTS: 18 monozygotic and 36 dizygotic twin pairs with one or both partners having insulin dependent diabetes. MAIN OUTCOME MEASURES: Presence of islet cell antibodies, insulin autoantibodies, and autoantibodies to glutamic acid decarboxylase (GAD65) in serum samples from twin pairs 10 years (range 0-30 years) and 9.5 years (2-30 years) after onset of disease. RESULTS: In those with diabetes the prevalence of islet cell antibodies, insulin autoantibodies, and autoantibodies to glutamic acid decarboxylase in the 26 monozygotic twins was 38%, 85%, and 92%, respectively, and in the dizygotic twins was 57%, 70%, and 57%, respectively. In those without diabetes the proportions were 20%, 50%, and 40% in the 10 monozygotic twins and 26%, 49%, and 40% in the 35 dizygotic twins. CONCLUSION: There is no difference between the prevalence of islet cell autoantibodies in dizygotic and monozygotic twins without diabetes, suggesting that islet cell autoimmunity is environmentally rather than genetically determined. Furthermore, the prevalence of islet cell antibodies was higher in the non-diabetic twins than in other first degree relatives of patients with insulin dependent diabetes. This implies that the prenatal or early postnatal period during which twins are exposed to the same environment, in contrast with that experienced by first degree relatives, is of aetiological importance. PMID:9169400

  13. Solitons, Bäcklund transformations, Lax pair and conservation laws for the nonautonomous mKdV-sinh-Gordon equation with time-dependent coefficients

    NASA Astrophysics Data System (ADS)

    Liu, Lei; Tian, Bo; Sun, Wen-Rong; Wang, Yu-Feng; Wang, Yun-Po

    2016-01-01

    The transition phenomenon of few-cycle-pulse optical solitons from a pure modified Korteweg-de Vries (mKdV) to a pure sine-Gordon regime can be described by the nonautonomous mKdV-sinh-Gordon equation with time-dependent coefficients. Based on the Bell polynomials, Hirota method and symbolic computation, bilinear forms and soliton solutions for this equation are obtained. Bäcklund transformations (BTs) in both the binary Bell polynomial and bilinear forms are obtained. By virtue of the BTs and Ablowitz-Kaup-Newell-Segur system, Lax pair and infinitely many conservation laws for this equation are derived as well.

  14. Age-dependent differences in the strength and persistence of psychostimulant-induced conditioned activity in rats: effects of a single environment-cocaine pairing.

    PubMed

    McDougall, Sanders A; Pipkin, Joseph A; Der-Ghazarian, Taleen; Cortez, Anthony M; Gutierrez, Arnold; Lee, Ryan J; Carbajal, Sandra; Mohd-Yusof, Alena

    2014-10-01

    The aim of the present study was to determine the strength and persistence of cocaine-induced conditioned activity in young and adult rats. A one-trial protocol has proven useful for studying the ontogeny of psychostimulant-induced behavioral sensitization; therefore, a similar procedure was used to examine conditioned activity. On postnatal day (PD) 19 or PD 80, rats were injected with saline or cocaine in either a novel test chamber or the home cage. After various drug abstinence intervals (1-21 days), rats were injected with saline and returned to the test chamber, where conditioned activity was assessed. In a separate experiment, we examined whether cocaine-induced conditioned activity was a consequence of Pavlovian conditioning or a failure to habituate to the test environment. The results indicated that adult rats showed strong one-trial conditioned activity that persisted for at least 21 days, whereas young rats did not show a conditioned locomotor response. The conditioned activity shown by adult rats did not result from a failure to habituate to the cocaine-paired environment. These results indicate that cocaine-paired contextual stimuli differentially affect behavior depending on the age of the animal. The data obtained from adult rats have potential translational relevance for humans because a single environment-drug pairing caused long-term alterations in behavior. PMID:25171082

  15. A non-Karplus effect: evidence from phosphorus heterocycles and DFT calculations of the dependence of vicinal phosphorus-hydrogen NMR coupling constants on lone-pair conformation.

    PubMed

    Hersh, William H; Lam, Sherrell T; Moskovic, Daniel J; Panagiotakis, Antonios J

    2012-06-01

    In contrast to literature reports of a Karplus-type curve that correlates (3)J(PH) with phosphorus-hydrogen dihedral angle, a recently reported glycine-derived 1,3,2-oxazaphospholidine (7c) has two hydrogen atoms on the ring with identical PNCH dihedral angles but measured coupling constants of ∼6 and 1.5 Hz. DFT calculations were in accord with these values and suggested that the smaller coupling constant is negative. Experimental evidence of the opposite signs of these coupling constants was obtained by analysis of the ABX NMR spectrum of the new glycine-derived N-p-toluenesulfonyl phosphorus heterocycle 6c. DFT calculations on 6c and on Me(2)NPCl(2) and t-BuPCl(2) were also in accord with NMR data and allowed confirmation of unusual features including a lone pair effect on (3)J(PH), the negative coupling constant, temperature-dependent chemical shifts due to rotation about the sulfonamide S-N bond, and vicinal phosphorus-hydrogen coupling constants over 40 Hz. Calculation of phosphorus-hydrogen coupling constants both as a function of PYCH dihedral angle θ (Y = O, N, C) and lone pair-PYC dihedral angle ω shows similar θ,ω surfaces for (3)J(PH) with a range of (3)J(PH) from -4.4 to +51 Hz and demonstrates the large non-Karplus effect of lone-pair conformation on vicinal phosphorus-hydrogen coupling constants. PMID:22612503

  16. A Non–Karplus Effect: Evidence from Phosphorus Heterocycles and DFT Calculations of the Dependence of Vicinal Phosphorus-Hydrogen NMR Coupling Constants on Lone-Pair Conformation

    PubMed Central

    Lam, Sherrell T.; Moskovic, Daniel J.; Panagiotakis, Antonios J.

    2012-01-01

    In contrast to literature reports of a Karplus-type curve that correlates 3JPH with phosphorus-hydrogen dihedral angle, a recently-reported glycine-derived 1,3,2-oxazaphospholidine (7c) has two hydrogen atoms on the ring with identical PNCH dihedral angles but measured coupling constants of ~6 Hz and 1.5 Hz. DFT calculations were in accord with these values, and suggested that the smaller coupling constant is negative. Experimental evidence of the opposite signs of these coupling constants was obtained by analysis of the ABX NMR spectrum of the new glycine-derived N-p-toluenesulfonyl phosphorus heterocycle 6c. DFT calculations on 6c and on Me2NPCl2 and t-BuPCl2 were also in accord with NMR data, and allowed confirmation of unusual features including a lone pair effect on 3JPH, the negative coupling constant, temperature-dependent chemical shifts due to rotation about the sulfonamide S-N bond, and vicinal phosphorus-hydrogen coupling constants over 40 Hz. Calculation of phosphorus-hydrogen coupling constants both as a function of PYCH dihedral angle θ(Y = O, N, C) and lone pair-PYC dihedral angle ω showed similar θ,ω surfaces for 3JPH with a range of 3JPH from −4.4 Hz to +51 Hz, and demonstrates the large non–Karplus effect of lone-pair conformation on vicinal phosphorus-hydrogen coupling constants. PMID:22612503

  17. Oxytocin has dose-dependent developmental effects on pair-bonding and alloparental care in female prairie voles.

    PubMed

    Bales, Karen L; van Westerhuyzen, Julie A; Lewis-Reese, Antoniah D; Grotte, Nathaniel D; Lanter, Jalene A; Carter, C Sue

    2007-08-01

    The present study examines the developmental consequences of neonatal exposure to oxytocin on adult social behaviors in female prairie voles (Microtus ochrogaster). Female neonates were injected within 24 h of birth with isotonic saline or one of four dosages of oxytocin (OT). As adults, females were tested in an elevated plus-maze paradigm (a measure of anxiety and exploratory behavior), and for alloparental behavior and partner preferences. At 2 mg/kg OT, females took longer to approach pups, but were the only group to form a statistically significant within-group partner preference. At 4 mg/kg OT, females retrieved pups significantly more frequently but no longer displayed a partner preference; while females treated developmentally with 8 mg/kg spent significantly more time in side-to-side contact with a male stranger than any other treatment group. OT may have broad developmental consequences, but these effects are not linear and may both increase and decrease the propensity to display behaviors such as pair-bonding. PMID:17553502

  18. First principles calculations of the structure and V L-edge X-ray absorption spectra of V2O5 using local pair natural orbital coupled cluster theory and spin-orbit coupled configuration interaction approaches.

    PubMed

    Maganas, Dimitrios; Roemelt, Michael; Hävecker, Michael; Trunschke, Annette; Knop-Gericke, Axel; Schlögl, Robert; Neese, Frank

    2013-05-21

    A detailed study of the electronic and geometric structure of V2O5 and its X-ray spectroscopic properties is presented. Cluster models of increasing size were constructed in order to represent the surface and the bulk environment of V2O5. The models were terminated with hydrogen atoms at the edges or embedded in a Madelung field. The structure and interlayer binding energies were studied with dispersion-corrected local, hybrid and double hybrid density functional theory as well as the local pair natural orbital coupled cluster method (LPNO-CCSD). Convergence of the results with respect to cluster size was achieved by extending the model to up to 20 vanadium centers. The O K-edge and the V L2,3-edge NEXAFS spectra of V2O5 were calculated on the basis of the newly developed Restricted Open shell Configuration Interaction with Singles (DFT-ROCIS) method. In this study the applicability of the method is extended to the field of solid-state catalysis. For the first time excellent agreement between theoretically predicted and experimentally measured vanadium L-edge NEXAFS spectra of V2O5 was achieved. At the same time the agreement between experimental and theoretical oxygen K-edge spectra is also excellent. Importantly, the intensity distribution between the oxygen K-edge and vanadium L-edge spectra is correctly reproduced, thus indicating that the covalency of the metal-ligand bonds is correctly described by the calculations. The origin of the spectral features is discussed in terms of the electronic structure using both quasi-atomic jj coupling and molecular LS coupling schemes. The effects of the bulk environment driven by weak interlayer interactions were also studied, demonstrating that large clusters are important in order to correctly calculate core level absorption spectra in solids. PMID:23575467

  19. Biomechanical evaluation of inferior scapula notching of reverse shoulder arthroplasty depending on implant configuration and scapula neck anatomy

    PubMed Central

    Smith, Tomas; Bäunker, Alexandra; Krämer, Manuel; Hurschler, Christof; Kaufmann, Melena; Pastor, Marc Frederic; Wellmann, Mathias

    2015-01-01

    Purpose: The presence of inferior scapula notching is significantly affected by the anatomy the scapula and can be influenced by the glenosphere design and position and the onlay type. Materials and Methods: A biomechanical study was undertaken with 13 human shoulder specimens in a robot-assisted shoulder simulator. Inferior scapula contact during adduction of the humerus was detected using a contact pressure film. Computed tomography scans with three-dimensional reconstructions of each specimen were performed. Results: The greatest improvement of the scapula notching angle (SNA) was achieved by simultaneous implantation of a shallow humeral onlay and an eccentric glenosphere design: 16.3-19.0° (P < 0.005). The SNA was significantly decreased by 5.8° when shifting from a 38 mm centric glenosphere to a 42 mm centric glenosphere (P < 0.005) and by 8.9° comparing the 38 mm centric glenosphere with 38 mm eccentric glenosphere (P < 0.005). The solitary implantation of a shallow onlay significantly decreased the SNA depending on the glenosphere size between 7.4° and 8.0° (P = 0.001). A more inferior position of the metaglene as well as a long scapula neck (P = 0.029) and a large lateral scapula pillar angle (P = 0.033) were correlated with a lower SNA. Conclusion: This study demonstrates the importance of inferior glenosphere placement and the benefit of eccentric glenosphere and shallow humeral cup design to reduce the adduction deficit of the reverse shoulder. The presence of a short neck of the scapula can have a negative prognostic effect on inferior impingement during adduction of the arm. Level of Evidence: Basic Science Study PMID:26622125

  20. Calculation of the vibrational excited states of malonaldehyde and their tunneling splittings with the multi-configuration time-dependent Hartree method

    NASA Astrophysics Data System (ADS)

    Schröder, Markus; Meyer, Hans-Dieter

    2014-07-01

    We report energies and tunneling splittings of vibrational excited states of malonaldehyde which have been obtained using full dimensional quantum mechanical calculations. To this end we employed the multi configuration time-dependent Hartree method. The results have been obtained using a recently published potential energy surface [Y. Wang, B. J. Braams, J. M. Bowman, S. Carter, and D. P. Tew, J. Chem. Phys. 128, 224314 (2008)] which has been brought into a suitable form by a modified version of the n-mode representation which was used with two different arrangements of coordinates. The relevant terms of the expansion have been identified with a Metropolis algorithm and a diffusion Monte-Carlo technique, respectively.

  1. A pair of tabersonine 16-hydroxylases initiates the synthesis of vindoline in an organ-dependent manner in Catharanthus roseus.

    PubMed

    Besseau, Sébastien; Kellner, Franziska; Lanoue, Arnaud; Thamm, Antje M K; Salim, Vonny; Schneider, Bernd; Geu-Flores, Fernando; Höfer, René; Guirimand, Grégory; Guihur, Anthony; Oudin, Audrey; Glevarec, Gaëlle; Foureau, Emilien; Papon, Nicolas; Clastre, Marc; Giglioli-Guivarc'h, Nathalie; St-Pierre, Benoit; Werck-Reichhart, Danièle; Burlat, Vincent; De Luca, Vincenzo; O'Connor, Sarah E; Courdavault, Vincent

    2013-12-01

    Hydroxylation of tabersonine at the C-16 position, catalyzed by tabersonine 16-hydroxylase (T16H), initiates the synthesis of vindoline that constitutes the main alkaloid accumulated in leaves of Catharanthus roseus. Over the last decade, this reaction has been associated with CYP71D12 cloned from undifferentiated C. roseus cells. In this study, we isolated a second cytochrome P450 (CYP71D351) displaying T16H activity. Biochemical characterization demonstrated that CYP71D12 and CYP71D351 both exhibit high affinity for tabersonine and narrow substrate specificity, making of T16H, to our knowledge, the first alkaloid biosynthetic enzyme displaying two isoforms encoded by distinct genes characterized to date in C. roseus. However, both genes dramatically diverge in transcript distribution in planta. While CYP71D12 (T16H1) expression is restricted to flowers and undifferentiated cells, the CYP71D351 (T16H2) expression profile is similar to the other vindoline biosynthetic genes reaching a maximum in young leaves. Moreover, transcript localization by carborundum abrasion and RNA in situ hybridization demonstrated that CYP71D351 messenger RNAs are specifically located to leaf epidermis, which also hosts the next step of vindoline biosynthesis. Comparison of high- and low-vindoline-accumulating C. roseus cultivars also highlights the direct correlation between CYP71D351 transcript and vindoline levels. In addition, CYP71D351 down-regulation mediated by virus-induced gene silencing reduces vindoline accumulation in leaves and redirects the biosynthetic flux toward the production of unmodified alkaloids at the C-16 position. All these data demonstrate that tabersonine 16-hydroxylation is orchestrated in an organ-dependent manner by two genes including CYP71D351, which encodes the specific T16H isoform acting in the foliar vindoline biosynthesis. PMID:24108213

  2. Exact two-body quantum dynamics of an electron-hole pair in semiconductor coupled quantum wells: A time-dependent approach

    NASA Astrophysics Data System (ADS)

    Grasselli, Federico; Bertoni, Andrea; Goldoni, Guido

    2016-05-01

    We simulate the time-dependent coherent dynamics of a spatially indirect exciton—an electron-hole pair with the two particles confined in different layers—in a GaAs coupled quantum well system. We use a unitary wave-packet propagation method taking into account in full the four degrees of freedom of the two particles in a two-dimensional system, including both the long-range Coulomb attraction and arbitrary two-dimensional electrostatic potentials affecting the electron and/or the hole separately. The method has been implemented for massively parallel architectures to cope with the huge numerical problem, showing good scaling properties and allowing evolution for tens of picoseconds. We have investigated both transient time phenomena and asymptotic time transmission and reflection coefficients for potential profiles consisting of (i) extended barriers and wells and (ii) a single-slit geometry. We found clear signatures of the internal two-body dynamics, with transient phenomena in the picosecond time scale which might be revealed by optical spectroscopy. Exact results have been compared with mean-field approaches which, neglecting dynamical correlations by construction, turn out to be inadequate to describe the electron-hole pair evolution in realistic experimental conditions.

  3. Pairing forces in nuclei

    SciTech Connect

    Chasman, R.R.

    1996-12-31

    In this contribution, the author mentions some features of pairing forces that are unique to nuclei and cover some areas of major interest in nuclear structure research, that involve pairing. At the level of most nuclear structure studies, nuclei are treated as consisting of two kinds of fermions (protons and neutrons) in a valence space with rather few levels. These features give rise to unique aspects of pairing forces in nuclei: (1) n-p pairing in T = 0 as well as the usual T = 1 pairing that is characteristic of like fermions; (2) a need to correct pairing calculations for the (1/N) effects that can typically be neglected in superconducting solids. An issue of current concern is the nature of the pairing interaction: several recent studies suggest a need for a density dependent form of the pairing interaction. There is a good deal of feedback between the questions of accurate calculations of pairing interactions and the form and magnitude of the pairing interaction. Finally, the authors discuss some many-body wave functions that are a generalization of the BCS wave function form, and apply them to a calculation of energy level spacings in superdeformed rotational bands.

  4. Fuel cell system configurations

    DOEpatents

    Kothmann, Richard E.; Cyphers, Joseph A.

    1981-01-01

    Fuel cell stack configurations having elongated polygonal cross-sectional shapes and gaskets at the peripheral faces to which flow manifolds are sealingly affixed. Process channels convey a fuel and an oxidant through longer channels, and a cooling fluid is conveyed through relatively shorter cooling passages. The polygonal structure preferably includes at least two right angles, and the faces of the stack are arranged in opposite parallel pairs.

  5. Pairing-induced speedup of nuclear spontaneous fission

    SciTech Connect

    Sadhukhan, Jhilam; Dobaczewski, J.; Nazarewicz, W.; Sheikh, J. A.; Baran, A.

    2014-12-22

    Collective inertia is strongly influenced at the level crossing at which the quantum system changes its microscopic configuration diabatically. Pairing correlations tend to make the large-amplitude nuclear collective motion more adiabatic by reducing the effect of these configuration changes. Competition between pairing and level crossing is thus expected to have a profound impact on spontaneous fission lifetimes. To elucidate the role of nucleonic pairing on spontaneous fission, we study the dynamic fission trajectories of 264Fm and 240Pu using the state-of-the-art self-consistent framework. We employ the superfluid nuclear density functional theory with the Skyrme energy density functional SkM* and a density-dependent pairing interaction. Along with shape variables, proton and neutron pairing correlations are taken as collective coordinates. The collective inertia tensor is calculated within the nonperturbative cranking approximation. The fission paths are obtained by using the least action principle in a four-dimensional collective space of shape and pairing coordinates. Pairing correlations are enhanced along the minimum-action fission path. For the symmetric fission of 264Fm, where the effect of triaxiality on the fission barrier is large, the geometry of the fission pathway in the space of the shape degrees of freedom is weakly impacted by pairing. This is not the case for 240Pu, where pairing fluctuations restore the axial symmetry of the dynamic fission trajectory. The minimum-action fission path is strongly impacted by nucleonic pairing. In some cases, the dynamical coupling between shape and pairing degrees of freedom can lead to a dramatic departure from the static picture. As a result, in the dynamical description of nuclear fission, particle-particle correlations should be considered on the same footing as those associated with shape degrees of freedom.

  6. Pairing-induced speedup of nuclear spontaneous fission

    NASA Astrophysics Data System (ADS)

    Sadhukhan, Jhilam; Dobaczewski, J.; Nazarewicz, W.; Sheikh, J. A.; Baran, A.

    2014-12-01

    Background: Collective inertia is strongly influenced at the level crossing at which the quantum system changes its microscopic configuration diabatically. Pairing correlations tend to make the large-amplitude nuclear collective motion more adiabatic by reducing the effect of these configuration changes. Competition between pairing and level crossing is thus expected to have a profound impact on spontaneous fission lifetimes. Purpose: To elucidate the role of nucleonic pairing on spontaneous fission, we study the dynamic fission trajectories of 264Fm and 240Pu using the state-of-the-art self-consistent framework. Methods: We employ the superfluid nuclear density functional theory with the Skyrme energy density functional SkM* and a density-dependent pairing interaction. Along with shape variables, proton and neutron pairing correlations are taken as collective coordinates. The collective inertia tensor is calculated within the nonperturbative cranking approximation. The fission paths are obtained by using the least action principle in a four-dimensional collective space of shape and pairing coordinates. Results: Pairing correlations are enhanced along the minimum-action fission path. For the symmetric fission of 264Fm, where the effect of triaxiality on the fission barrier is large, the geometry of the fission pathway in the space of the shape degrees of freedom is weakly impacted by pairing. This is not the case for 240Pu, where pairing fluctuations restore the axial symmetry of the dynamic fission trajectory. Conclusions: The minimum-action fission path is strongly impacted by nucleonic pairing. In some cases, the dynamical coupling between shape and pairing degrees of freedom can lead to a dramatic departure from the static picture. Consequently, in the dynamical description of nuclear fission, particle-particle correlations should be considered on the same footing as those associated with shape degrees of freedom.

  7. Combinatorial DNA Damage Pairing Model Based on X-Ray-Induced Foci Predicts the Dose and LET Dependence of Cell Death in Human Breast Cells

    SciTech Connect

    Vadhavkar, Nikhil; Pham, Christopher; Georgescu, Walter; Deschamps, Thomas; Heuskin, Anne-Catherine; Tang, Jonathan; Costes, Sylvain V.

    2014-09-01

    In contrast to the classic view of static DNA double-strand breaks (DSBs) being repaired at the site of damage, we hypothesize that DSBs move and merge with each other over large distances (m). As X-ray dose increases, the probability of having DSB clusters increases as does the probability of misrepair and cell death. Experimental work characterizing the X-ray dose dependence of radiation-induced foci (RIF) in nonmalignant human mammary epithelial cells (MCF10A) is used here to validate a DSB clustering model. We then use the principles of the local effect model (LEM) to predict the yield of DSBs at the submicron level. Two mechanisms for DSB clustering, namely random coalescence of DSBs versus active movement of DSBs into repair domains are compared and tested. Simulations that best predicted both RIF dose dependence and cell survival after X-ray irradiation favored the repair domain hypothesis, suggesting the nucleus is divided into an array of regularly spaced repair domains of ~;;1.55 m sides. Applying the same approach to high-linear energy transfer (LET) ion tracks, we are able to predict experimental RIF/m along tracks with an overall relative error of 12percent, for LET ranging between 30 350 keV/m and for three different ions. Finally, cell death was predicted by assuming an exponential dependence on the total number of DSBs and of all possible combinations of paired DSBs within each simulated RIF. Relative biological effectiveness (RBE) predictions for cell survival of MCF10A exposed to high-LET showed an LET dependence that matches previous experimental results for similar cell types. Overall, this work suggests that microdosimetric properties of ion tracks at the submicron level are sufficient to explain both RIF data and survival curves for any LET, similarly to the LEM assumption. Conversely, high-LET death mechanism does not have to infer linear-quadratic dose formalism as done in the LEM. In addition, the size of repair domains derived in our model

  8. Module Configuration

    DOEpatents

    Oweis, Salah; D'Ussel, Louis; Chagnon, Guy; Zuhowski, Michael; Sack, Tim; Laucournet, Gaullume; Jackson, Edward J.

    2002-06-04

    A stand alone battery module including: (a) a mechanical configuration; (b) a thermal management configuration; (c) an electrical connection configuration; and (d) an electronics configuration. Such a module is fully interchangeable in a battery pack assembly, mechanically, from the thermal management point of view, and electrically. With the same hardware, the module can accommodate different cell sizes and, therefore, can easily have different capacities. The module structure is designed to accommodate the electronics monitoring, protection, and printed wiring assembly boards (PWAs), as well as to allow airflow through the module. A plurality of modules may easily be connected together to form a battery pack. The parts of the module are designed to facilitate their manufacture and assembly.

  9. Pair contact process with diffusion of pairs

    NASA Astrophysics Data System (ADS)

    Santos, F. L.; Dickman, Ronald; Fulco, U. L.

    2011-03-01

    The pair contact process (PCP) is a nonequilibrium stochastic model which, like the basic contact process (CP), exhibits a phase transition to an absorbing state. The two models belong to the directed percolation (DP) universality class, despite the fact that the PCP possesses infinitely many absorbing configurations whereas the CP has but one. The critical behavior of the PCP with hopping by particles (PCPD) is as yet unclear. Here we study a version of the PCP in which nearest-neighbor particle pairs can hop but individual particles cannot. Using quasistationary simulations for three values of the diffusion probability (D = 0.1, 0.5 and 0.9), we find convincing evidence of DP-like critical behavior.

  10. What Can We Learn From a Detailed Study of the Temperature Dependence of Omega, the Width of the Pair Distribution Function?

    SciTech Connect

    Bridges, F.; Downward, L.; Jiang, Y.; O'Brien, T.

    2009-06-04

    In many systems there is a significant coupling between the local structure and other properties of the system such as magnetism, electrical and thermal transport, metal/insulator transitions etc. In such materials, a detailed temperature-dependent study of the width of the Pair Distribution Function (PDF), {sigma}, can separate different contributions and provide a connection between the observed macroscopic observations and the underlying atomic interactions that produce them. The usual model for simple systems is that the T-dependence of {sigma}{sup 2} is described by an Einstein or Correlated Debye model, with one characteristic temperature for the system; in such models {sigma}{sup 2}(T) increases smoothly with T and has a slowly increasing slope. However that is not always the case: in structures with large unit cells containing several types of atoms, some atoms in the crystal can have a low Einstein temperature while others have a very high correlated Debye temperature as observed in a number of thermoelectric systems (skutterudites and clathrates). In others systems such as the negative thermal expansion material ZrW{sub 2}O{sub 8}, the same atom cam be involved in both low and high temperature Einstein modes. Vibrations of atoms (or molecular unit) described by a low Einstein temperature often control/determine the lattice properties. In other systems there are deviations from the T-dependence expected for either the Einstein or correlated Debye models -- such as a small increase in {sigma}{sup 2} at low temperatures for the Ru-Ru pair in PrRu{sub 4}Sb{sub 12} which has a metal/insulator transition near 60K, or a very sharp step in {sigma}{sup 2}(T) observed in the bilayer colossal magnetoresistance system La{sub 2-2x}Sr{sub 1+2x}Mn{sub 2}O{sub 7} at the ferromagnetic transition. We discuss broadening of the PDF in more complex systems, show some simulations and then present several recent examples.

  11. Polarization dependence of phase-sensitive optical time-domain reflectometry and its suppression method based on orthogonal-state of polarization pulse pair

    NASA Astrophysics Data System (ADS)

    Zhang, Yixin; Xu, Yemian; Shan, Yuanyuan; Sun, Zhenhong; Zhu, Fan; Zhang, Xuping

    2016-07-01

    Phase-sensitive optical time-domain reflectometry (Φ-OTDR) has been widely used in various applications for its distributed measurement capability of dynamic disturbance along the entire sensing fiber. Commonly, the sensing system is considered to be only sensitive to the phase change and capable of detecting multiple vibration events. In application, once any of the vibration events leads to a local birefringence change, the polarization evolution of the signal will be disturbed along the following fiber, which will result in the generation of polarization-related noise and the failure of identification for multipoint vibration events. We will reveal the polarization-dependence of Φ-OTDR both theoretically and experimentally. To suppress the polarization-dependence of Φ-OTDR, an orthogonal-state of polarization pulse pair method has been proposed, making the sensing system purely phase-sensitive. The experiment result has shown that maximum noise suppression ratio of 11.2 dB and mean noise suppression ratio of 4.9 dB could be achieved, which confirmed the validity of the proposed method.

  12. Pick a Pair. Pancake Pairs

    ERIC Educational Resources Information Center

    Miller, Pat

    2005-01-01

    Cold February weather and pancakes are a traditional pairing. Pancake Day began as a way to eat up the foods that were abstained from in Lent--traditionally meat, fat, eggs and dairy products. The best-known pancake event is The Pancake Day Race in Buckinghamshire, England, which has been run since 1445. This column describes pairs of books that…

  13. Critical Schwinger Pair Production

    NASA Astrophysics Data System (ADS)

    Gies, Holger; Torgrimsson, Greger

    2016-03-01

    We investigate Schwinger pair production in spatially inhomogeneous electric backgrounds. A critical point for the onset of pair production can be approached by fields that marginally provide sufficient electrostatic energy for an off-shell long-range electron-positron fluctuation to become a real pair. Close to this critical point, we observe features of universality which are analogous to continuous phase transitions in critical phenomena with the pair-production rate serving as an order parameter: electric backgrounds can be subdivided into universality classes and the onset of pair production exhibits characteristic scaling laws. An appropriate design of the electric background field can interpolate between power-law scaling, essential Berezinskii-Kosterlitz-Thouless-type scaling, and a power-law scaling with log corrections. The corresponding critical exponents only depend on the large-scale features of the electric background, whereas the microscopic details of the background play the role of irrelevant perturbations not affecting criticality.

  14. Critical Schwinger Pair Production.

    PubMed

    Gies, Holger; Torgrimsson, Greger

    2016-03-01

    We investigate Schwinger pair production in spatially inhomogeneous electric backgrounds. A critical point for the onset of pair production can be approached by fields that marginally provide sufficient electrostatic energy for an off-shell long-range electron-positron fluctuation to become a real pair. Close to this critical point, we observe features of universality which are analogous to continuous phase transitions in critical phenomena with the pair-production rate serving as an order parameter: electric backgrounds can be subdivided into universality classes and the onset of pair production exhibits characteristic scaling laws. An appropriate design of the electric background field can interpolate between power-law scaling, essential Berezinskii-Kosterlitz-Thouless-type scaling, and a power-law scaling with log corrections. The corresponding critical exponents only depend on the large-scale features of the electric background, whereas the microscopic details of the background play the role of irrelevant perturbations not affecting criticality. PMID:26991162

  15. Configuration Interaction-Corrected Tamm-Dancoff Approximation: A Time-Dependent Density Functional Method with the Correct Dimensionality of Conical Intersections.

    PubMed

    Li, Shaohong L; Marenich, Aleksandr V; Xu, Xuefei; Truhlar, Donald G

    2014-01-16

    Linear response (LR) Kohn-Sham (KS) time-dependent density functional theory (TDDFT), or KS-LR, has been widely used to study electronically excited states of molecules and is the method of choice for large and complex systems. The Tamm-Dancoff approximation to TDDFT (TDDFT-TDA or KS-TDA) gives results similar to KS-LR and alleviates the instability problem of TDDFT near state intersections. However, KS-LR and KS-TDA share a debilitating feature; conical intersections of the reference state and a response state occur in F - 1 instead of the correct F - 2 dimensions, where F is the number of internal degrees of freedom. Here, we propose a new method, named the configuration interaction-corrected Tamm-Dancoff approximation (CIC-TDA), that eliminates this problem. It calculates the coupling between the reference state and an intersecting response state by interpreting the KS reference-state Slater determinant and linear response as if they were wave functions. Both formal analysis and test results show that CIC-TDA gives similar results to KS-TDA far from a conical intersection, but the intersection occurs with the correct dimensionality. We anticipate that this will allow more realistic application of TDDFT to photochemistry. PMID:26270707

  16. Spatial reproducibility of complex fractionated atrial electrogram depending on the direction and configuration of bipolar electrodes: an in-silico modeling study.

    PubMed

    Song, Jun-Seop; Lee, Young-Seon; Hwang, Minki; Lee, Jung-Kee; Li, Changyong; Joung, Boyoung; Lee, Moon-Hyoung; Shim, Eun Bo; Pak, Hui-Nam

    2016-09-01

    Although 3D-complex fractionated atrial electrogram (CFAE) mapping is useful in radiofrequency catheter ablation for persistent atrial fibrillation (AF), the directions and configuration of the bipolar electrodes may affect the electrogram. This study aimed to compare the spatial reproducibility of CFAE by changing the catheter orientations and electrode distance in an in-silico left atrium (LA). We conducted this study by importing the heart CT image of a patient with AF into a 3D-homogeneous human LA model. Electrogram morphology, CFAE-cycle lengths (CLs) were compared for 16 different orientations of a virtual bipolar conventional catheter (conv-cath: size 3.5 mm, inter-electrode distance 4.75 mm). Additionally, the spatial correlations of CFAE-CLs and the percentage of consistent sites with CFAE-CL<120 ms were analyzed. The results from the conv-cath were compared with that obtained using a mini catheter (mini-cath: size 1 mm, inter-electrode distance 2.5 mm). Depending on the catheter orientation, the electrogram morphology and CFAE-CLs varied (conv-cath: 11.5±0.7% variation, mini-cath: 7.1±1.2% variation), however the mini-cath produced less variation of CFAE-CL than conv-cath (p<0.001). There were moderate spatial correlations among CFAE-CL measured at 16 orientations (conv-cath: r=0.3055±0.2194 vs. mini-cath: 0.6074±0.0733, p<0.001). Additionally, the ratio of consistent CFAE sites was higher for mini catheter than conventional one (38.3±4.6% vs. 22.3±1.4%, p<0.05). Electrograms and CFAE distribution are affected by catheter orientation and electrode configuration in the in-silico LA model. However, there was moderate spatial consistency of CFAE areas, and narrowly spaced bipolar catheters were less influenced by catheter direction than conventional catheters. PMID:27610037

  17. Spatial reproducibility of complex fractionated atrial electrogram depending on the direction and configuration of bipolar electrodes: an in-silico modeling study

    PubMed Central

    Song, Jun-Seop; Lee, Young-Seon; Hwang, Minki; Lee, Jung-Kee; Li, Changyong; Joung, Boyoung; Lee, Moon-Hyoung

    2016-01-01

    Although 3D-complex fractionated atrial electrogram (CFAE) mapping is useful in radiofrequency catheter ablation for persistent atrial fibrillation (AF), the directions and configuration of the bipolar electrodes may affect the electrogram. This study aimed to compare the spatial reproducibility of CFAE by changing the catheter orientations and electrode distance in an in-silico left atrium (LA). We conducted this study by importing the heart CT image of a patient with AF into a 3D-homogeneous human LA model. Electrogram morphology, CFAE-cycle lengths (CLs) were compared for 16 different orientations of a virtual bipolar conventional catheter (conv-cath: size 3.5 mm, inter-electrode distance 4.75 mm). Additionally, the spatial correlations of CFAE-CLs and the percentage of consistent sites with CFAE-CL<120 ms were analyzed. The results from the conv-cath were compared with that obtained using a mini catheter (mini-cath: size 1 mm, inter-electrode distance 2.5 mm). Depending on the catheter orientation, the electrogram morphology and CFAE-CLs varied (conv-cath: 11.5±0.7% variation, mini-cath: 7.1±1.2% variation), however the mini-cath produced less variation of CFAE-CL than conv-cath (p<0.001). There were moderate spatial correlations among CFAE-CL measured at 16 orientations (conv-cath: r=0.3055±0.2194 vs. mini-cath: 0.6074±0.0733, p<0.001). Additionally, the ratio of consistent CFAE sites was higher for mini catheter than conventional one (38.3±4.6% vs. 22.3±1.4%, p<0.05). Electrograms and CFAE distribution are affected by catheter orientation and electrode configuration in the in-silico LA model. However, there was moderate spatial consistency of CFAE areas, and narrowly spaced bipolar catheters were less influenced by catheter direction than conventional catheters. PMID:27610037

  18. Bosonic pair creation and the Schiff-Snyder-Weinberg effect

    NASA Astrophysics Data System (ADS)

    Lv, Q. Z.; Bauke, Heiko; Su, Q.; Keitel, C. H.; Grobe, R.

    2016-01-01

    Interactions between different bound states in bosonic systems can lead to pair creation. We study this process in detail by solving the Klein-Gordon equation on space-time grids in the framework of time-dependent quantum field theory. By choosing specific external field configurations, two bound states can become pseudodegenerate, which is commonly referred to as the Schiff-Snyder-Weinberg effect. These pseudodegenerate bound states, which have complex energy eigenvalues, are related to the pseudo-Hermiticity of the Klein-Gordon Hamiltonian. In this work, the influence of the Schiff-Snyder-Weinberg effect on pair production is studied. A generalized Schiff-Snyder-Weinberg effect, where several pairs of pseudodegenerate states appear, is found in combined electric and magnetic fields. The generalized Schiff-Snyder-Weinberg effect likewise triggers pair creation. The particle number in these situations obeys an exponential growth law in time enhancing the creation of bosons, which cannot be found in fermionic systems.

  19. Single pairing spike-timing dependent plasticity in BiFeO3 memristors with a time window of 25 ms to 125 μs

    PubMed Central

    Du, Nan; Kiani, Mahdi; Mayr, Christian G.; You, Tiangui; Bürger, Danilo; Skorupa, Ilona; Schmidt, Oliver G.; Schmidt, Heidemarie

    2015-01-01

    Memristive devices are popular among neuromorphic engineers for their ability to emulate forms of spike-driven synaptic plasticity by applying specific voltage and current waveforms at their two terminals. In this paper, we investigate spike-timing dependent plasticity (STDP) with a single pairing of one presynaptic voltage spike and one post-synaptic voltage spike in a BiFeO3 memristive device. In most memristive materials the learning window is primarily a function of the material characteristics and not of the applied waveform. In contrast, we show that the analog resistive switching of the developed artificial synapses allows to adjust the learning time constant of the STDP function from 25 ms to 125 μs via the duration of applied voltage spikes. Also, as the induced weight change may degrade, we investigate the remanence of the resistance change for several hours after analog resistive switching, thus emulating the processes expected in biological synapses. As the power consumption is a major constraint in neuromorphic circuits, we show methods to reduce the consumed energy per setting pulse to only 4.5 pJ in the developed artificial synapses. PMID:26175666

  20. Single pairing spike-timing dependent plasticity in BiFeO3 memristors with a time window of 25 ms to 125 μs.

    PubMed

    Du, Nan; Kiani, Mahdi; Mayr, Christian G; You, Tiangui; Bürger, Danilo; Skorupa, Ilona; Schmidt, Oliver G; Schmidt, Heidemarie

    2015-01-01

    Memristive devices are popular among neuromorphic engineers for their ability to emulate forms of spike-driven synaptic plasticity by applying specific voltage and current waveforms at their two terminals. In this paper, we investigate spike-timing dependent plasticity (STDP) with a single pairing of one presynaptic voltage spike and one post-synaptic voltage spike in a BiFeO3 memristive device. In most memristive materials the learning window is primarily a function of the material characteristics and not of the applied waveform. In contrast, we show that the analog resistive switching of the developed artificial synapses allows to adjust the learning time constant of the STDP function from 25 ms to 125 μs via the duration of applied voltage spikes. Also, as the induced weight change may degrade, we investigate the remanence of the resistance change for several hours after analog resistive switching, thus emulating the processes expected in biological synapses. As the power consumption is a major constraint in neuromorphic circuits, we show methods to reduce the consumed energy per setting pulse to only 4.5 pJ in the developed artificial synapses. PMID:26175666

  1. Impact of land-use on carbon storage as dependent on soil texture: evidence from a desertified dryland using repeated paired sampling design.

    PubMed

    Ye, Xuehua; Tang, Shuangli; Cornwell, William K; Gao, Shuqin; Huang, Zhenying; Dong, Ming; Cornelissen, Johannes H C

    2015-03-01

    Desertification resulting from land-use affects large dryland areas around the world, accompanied by carbon loss. However it has been difficult to interpret different land-use contributions to carbon pools owing to confounding factors related to climate, topography, soil texture and other original soil properties. To avoid such confounding effects, a unique systematic and extensive repeated design of paired sampling plots of different land-use types was adopted on Ordos Plateau, N China. The sampling enabled to quantify the effects of the predominant land-use types on carbon storage as dependent on soil texture, and to define the most promising land-use choices for carbon storage, both in grassland on sandy soil and in desert grassland on brown calcareous soil. The results showed that (1) desertification control should be an effective measure to improve the carbon sequestration in sandy grassland, and shrub planting should be better than grass planting; (2) development of man-made grassland should be a good choice to solve the contradictions of ecology and economy in desert grassland; (3) grassland on sandy soil is more vulnerable to soil degradation than desert grassland on brown calcareous soil. The results may be useful for the selection of land-use types, aiming at desertification prevention in drylands. Follow-up studies should directly investigate the role of soil texture on the carbon storage dynamic caused by land-use change. PMID:25560656

  2. Affected-sib-pair mapping of a novel susceptibility gene to insulin-dependent diabetes mellitus (IDDM8) on chromosome 6q25-q27

    SciTech Connect

    Luo, D.F.; Bui, M.M.; Muir, A.

    1995-10-01

    Affected-sib-pair analyses were performed using 104 Caucasian families to map genes that predispose to insulin-dependent diabetes mellitus (IDDM). We have obtained linkage evidence for D6S446 (maximum lod score [MLS] = 2.8) and for D6S264 (MLS = 2.0) on 6q25q27. Together with a previously reported data set, linkage can be firmly established (MLS = 3.4 for D6S264), and the disease locus has been designated IDDM8. With analysis of independent families, we confirmed linkage evidence for the previously identified IDDM3 (15q) and DDM7 (2q). We also typed additional markers in the regions containing IDDM3, IDDM4, IDDM5, and IDDM8. Preliminary linkage evidence for a novel region on chromosome 4q (D4S1566) has been found in 47 Florida families (P < .03). We also found evidence of linkage for two regions previously identified as potential linkages in the Florida subset: D3S1303 on 3q (P < .04) and D7S486 on 7q (P < .03). We could not confirm linkage with eight other regions (D1S191, D1S412, D4S1604, D8S264, D8S556, D1OS193, D13S158, and D18S64) previously identified as potential linkages. 26 refs., 1 fig., 4 tabs.

  3. Multi-quasiparticle isomers near stability and reduced pairing

    SciTech Connect

    Dracoulis, G.D.

    1996-12-31

    The proximity of high-{Omega} orbitals near both proton and neutron Fermi surfaces in nuclei near Z = 74 and N = 104 results in high-K states competing with collective rotation of low-seniority configurations to generate the yrast line. In favorable situations it is possible to observe both the intrinsic states and associated rotational bands. The band properties allow characterization of the configurations and evaluation of orbital and seniority-dependent effects, including pairing reduction and consequent loss of nuclear superfluidity.

  4. The role of Rydberg and continuum levels in computing high harmonic generation spectra of the hydrogen atom using time-dependent configuration interaction

    SciTech Connect

    Luppi, Eleonora; Head-Gordon, Martin

    2013-10-28

    We study the role of Rydberg bound-states and continuum levels in the field-induced electronic dynamics associated with the High-Harmonic Generation (HHG) spectroscopy of the hydrogen atom. Time-dependent configuration-interaction (TD-CI) is used with very large atomic orbital (AO) expansions (up to L= 4 with sextuple augmentation and off-center functions) to describe the bound Rydberg levels, and some continuum levels. To address the lack of ionization losses in TD-CI with finite AO basis sets, we employed a heuristic lifetime for energy levels above the ionization potential. The heuristic lifetime model is compared against the conventional atomic orbital treatment (infinite lifetimes), and a third approximation which is TD-CI using only the bound levels (continuum lifetimes go to zero). The results suggest that spectra calculated using conventional TD-CI do not converge with increasing AO basis set size, while the zero lifetime and heuristic lifetime models converge to qualitatively similar spectra, with implications for how best to apply bound state electronic structure methods to simulate HHG. The origin of HHG spectral features including the cutoff and extent of interference between peaks is uncovered by separating field-induced coupling between different types of levels (ground state, bound Rydberg levels, and continuum) in the simulated electronic dynamics. Thus the origin of deviations between the predictions of the semi-classical three step model and the full simulation can be associated with particular physical contributions, which helps to explain both the successes and the limitations of the three step model.

  5. Fingernail Configuration

    PubMed Central

    Jung, Jin Woo; Shin, Jun Ho; Kwon, Yu Jin; Hwang, Jae Ha; Lee, Sam Yong

    2015-01-01

    Background A number of conditions can alter a person's fingernail configuration. The ratio between fingernail width and length (W/L) is an important aesthetic criterion, and some underlying diseases can alter the size of the fingernail. Fingernail curvature can be altered by systemic disorders or disorders of the fingernail itself. Although the shape and curvature of the fingernail can provide diagnostic clues for various diseases, few studies have precisely characterized normal fingernail configuration. Methods We measured the W/L ratio of the fingernail, transverse fingernail curvature, hand length, hand breadth, and distal interphalangeal joint width in 300 volunteers with healthy fingernails. We also investigated whether age, sex, height, and handedness influenced the fingernail W/L ratio and transverse fingernail curvature. Results In women, fingernail W/L ratios were similar across all five fingers, and were lower than those in men. The highest value of transverse fingernail curvature was found in the thumb, followed by the index, middle, ring, and little fingers. Handedness and aging influenced transverse fingernail curvature, but not the fingernail W/L ratio. Fingernails were flatter on the dominant hand than on the non-dominant hand. The radius of transverse fingernail curvature increased with age, indicating that fingernails tended to flatten with age. Conclusions Our quantitative data on fingernail configuration can be used as a reference range for diagnosing various diseases and deformities of the fingernail, and for performing reconstructive or aesthetic fingernail surgery. PMID:26618124

  6. Winning Pairs.

    ERIC Educational Resources Information Center

    Monsour, Florence

    2000-01-01

    Mentoring programs that pair experienced and first-time teachers are gaining prominence in supporting, developing, and retaining new teachers. The successful Beginning Teacher Assistance program at University of Wisconsin-River Falls was designed to give new K-12 teachers the opportunity for yearlong, structured support from mentor teachers. (MLH)

  7. The immunoglobulin heavy-chain variable region in insulin-dependent diabetes mellitus: affected-sib-pair analysis and association studies.

    PubMed Central

    Veijola, R.; Knip, M.; Puukka, R.; Reijonen, H.; Cox, D. W.; Ilonen, J.

    1996-01-01

    We have analyzed immunoglobulin heavy-chain variable-region (VH) polymorphisms and genetic susceptibility to insulin-dependent diabetes mellitus (IDDM) by using a set of polymorphic loci that span approximately 1,000 kb of the VH region on chromosome 14q32. One hundred one Finnish families with at least two children affected with IDDM were studied. Conventional RFLPs determined by hybridization were used, since no microsatellite repeat markers have been available for this gene region. No evidence for linkage between the VH genes and IDDM could be obtained from haplotype-sharing analysis among the 133 diabetic sib pairs. The frequencies of various VH genotypes were also compared between 101 familial IDDM cases and 114 controls derived from the Finnish background population. The distribution of the genotypes at the VH2-B5 locus was significantly different between these groups (P=.004), the 3.4/3.4 genotype being less common in the IDDM cases. In addition, a different genotype distribution at the VH5-B2 locus was observed in the diabetic subjects (P = .022). When the IDDM cases were stratified by presence or absence of the high-risk HLA-DQB1*0302 allele, no differences in VH genotype frequencies were observed between the 0302-positive and 0302-negative cases. In the transmission test for linkage disequilibrium (TDT), no differences were found between the expected and observed frequencies of the transmitted alleles at the VH2-B5 or VH5-B2 locus. In conclusion, significant differences in VH genotype distributions were observed between the familial IDDM cases and the controls, but the observed associations could not be confirmed by the TDT. Haplotype sharing analysis provided no evidence for genetic linkage between the VH gene region and IDDM. Images Figure 1 PMID:8755935

  8. The local post-perovskite structure and its temperature dependence : atom-pair distances in CalrO{sub 3} revealed through analysis of the total x-ray scattering at high temperatures.

    SciTech Connect

    Martin, C. D.; X-Ray Science Division

    2008-08-01

    The temperature-dependent post-perovskite structure model of MgSiO{sub 3} is reinvestigated through analysis of the atom-pair distances observed experimentally via Fourier transformation of X-ray diffraction and diffuse scattering, the total X-ray scattering, from CaIrO{sub 3}. In contrast to the results of a previous Rietveld structure refinement, which shows a negative or null thermal expansion of Ir-O and Ca-O bond lengths within the average long-range structure, visual inspection of these atom-pair distances in the pair-distribution function, in addition to structure models fitted through least-squares refinement to this local-structure data, strongly suggests that these distances between atom pairs increase with temperature. The average long-range structure of CaIrO{sub 3}, visible from Rietveld structure refinement, is distinct from the short-range structure ({le} 18 {angstrom}) at all of the temperatures examined in this study (325-1114 K) and is reproduced in structure models fitted to the pair-distribution function extending to sufficiently long atom-pair distances ({ge} 50 {angstrom}). While previous data obtained with Rietveld structure refinement show the iridium coordination octahedra to distort with increasing temperature, models of the short-range structure demonstrate that these polyhedra instead reduce distortion and rotate in a manner similar to that occurring in the perovskite structure.

  9. Pairing Correlations at High Spins

    NASA Astrophysics Data System (ADS)

    Ma, Hai-Liang; Dong, Bao-Guo; Zhang, Yan; Fan, Ping; Yuan, Da-Qing; Zhu, Shen-Yun; Zhang, Huan-Qiao; Petrache, C. M.; Ragnarsson, I.; Carlsson, B. G.

    The pairing correcting energies at high spins in 161Lu and 138Nd are studied by comparing the results of the cranked-Nilsson-Strutinsky (CNS) and cranked-Nilsson-Strutinsky-Bogoliubov (CNSB) models. It is concluded that the Coriolis effect rather than the rotational alignment effect plays a major role in the reduction of the pairing correlations in the high spin region. Then we proposed an average pairing correction method which not only better reproduces the experimental data comparing with the CNS model but also enables a clean-cut tracing of the configurations thus the full-spin-range discussion on the various rotating bands.

  10. The Subtleties of Pairing and Collective Structures in Deformed Nuclei

    NASA Astrophysics Data System (ADS)

    Sharpey-Schafer, J. F.

    2015-11-01

    It is well known that simple monopole pairing is a pretty crude approximation. It can account for the observations that the ground states of all even-even nuclei have spin-parity 01+ and that there is a pairing gap above the ground state in deformed nuclei before particle-hole configurations can be excited. As an approximation it is best for proton and neutron mid-shell nuclei where the available single particle Nilsson wavefunctions have large overlaps. However at the beginning of regions of deformation, where high-K orbitals can be bought to the Fermi surface from a lower shell, simple monopole pairing is inadequate in describing the physics of the observed data. More recently, with a considerable increase in the quantity and quality of experimental data available, configuration dependent pairing has been used to account for the properties of low-lying first excited 02+ states in N = 88 and 90 nuclei at the onset of deformation in the rare earths. The properties of 02+ states in these and other nuclei at the start of regions of deformation and the effects of blocking of pairing leading to a decrease in the backbending critical frequencies in odd nuclei are presented.

  11. Aminoxyl Radicals of B/P Frustrated Lewis Pairs: Refinement of the Spin-Hamiltonian Parameters by Field- and Temperature-Dependent Pulsed EPR Spectroscopy

    PubMed Central

    de Oliveira, Marcos; Knitsch, Robert; Sajid, Muhammad; Stute, Annika; Elmer, Lisa-Maria; Kehr, Gerald; Erker, Gerhard; Magon, Claudio J.; Jeschke, Gunnar; Eckert, Hellmut

    2016-01-01

    Q-band and X-band pulsed electron paramagnetic resonance spectroscopic methods (EPR) in the solid state were employed to refine the parameters characterizing the anisotropic interactions present in six nitroxide radicals prepared by N,N addition of NO to various borane-phosphane frustrated Lewis pairs (FLPs). The EPR spectra are characterized by the g-anisotropy as well as by nuclear hyperfine coupling between the unpaired electron and the 11B/10B, 14N and 31P nuclear magnetic moments. It was previously shown that continuous-wave spectra measured at X-band frequency (9.5 GHz) are dominated by the magnetic hyperfine coupling to 14N and 31P, whereas the g-tensor values and the 11B hyperfine coupling parameters cannot be refined with high precision from lineshape fitting. On the other hand, the X-band electron spin echo envelope modulation (ESEEM) and hyperfine sublevel correlation (HYSCORE) spectra are completely dominated by the nuclear hyperfine coupling to the 11B nuclei, allowing a selective determination of their interaction parameters. In the present work this analysis has been further validated by temperature dependent ESEEM measurements. In addition, pulsed EPR data measured in the Q-band (34 GHz) are reported, which present an entirely different situation: the g-tensor components can be measured with much higher precision, and the ESEEM and HYSCORE spectra contain information about all of the 10B, 11B, 14N and 31P hyperfine interaction parameters. Based on these new results, we report here high-accuracy and precision data of the EPR spin Hamiltonian parameters measured on six FLP-NO radical species embedded in their corresponding hydroxylamine host structures. While the ESEEM spectra at Q-band frequency turn out to be very complex (due to the multinuclear contribution to the overall signal) in the HYSCORE experiment the extension over two dimensions renders a better discrimination between the different nuclear species, and the signals arising from hyperfine

  12. The Sentence-Composition Effect: Processing of Complex Sentences Depends on the Configuration of Common Noun Phrases versus Unusual Noun Phrases

    ERIC Educational Resources Information Center

    Johnson, Marcus L.; Lowder, Matthew W.; Gordon, Peter C.

    2011-01-01

    In 2 experiments, the authors used an eye tracking while reading methodology to examine how different configurations of common noun phrases versus unusual noun phrases (NPs) influenced the difference in processing difficulty between sentences containing object- and subject-extracted relative clauses. Results showed that processing difficulty was…

  13. Pairing Properties of Superheavy Nuclei

    SciTech Connect

    Staszczak, A.; Dobaczewski, J.; Nazarewicz, Witold

    2007-01-01

    Pairing properties of even-even superheavy N=184 isotones are studied within the Skyrme-Hartree-Fock+BCS approach. In the particle-hole channel we take the Skyrme energy density functional SLy4, while in the particle-particle channel we employ the seniority pairing force and zero-range delta-interactions with different forms of density dependence. We conclude that the calculated static fission trajectories weakly depend on the specific form of the delta-pairing interaction. We also investigate the impact of triaxiality on the inner fission barrier and find a rather strong Z dependence of the effect.

  14. Object representations in ventral and dorsal visual streams: fMRI repetition effects depend on attention and part–whole configuration

    PubMed Central

    Thoma, Volker; Henson, Richard N.

    2011-01-01

    The effects of attention and object configuration on the neural responses to short-lag visual image repetition were investigated with fMRI. Attention to one of two object images in a prime display was cued spatially. The images were either intact or split vertically; a manipulation that negates the influence of view-based representations. A subsequent single intact probe image was named covertly. Behavioural priming observed as faster button presses was found for attended primes in both intact and split configurations, but only for uncued primes in the intact configuration. In a voxel-wise analysis, fMRI repetition suppression (RS) was observed in a left mid-fusiform region for attended primes, both intact and split, whilst a right intraparietal region showed repetition enhancement (RE) for intact primes, regardless of attention. In a factorial analysis across regions of interest (ROIs) defined from independent localiser contrasts, RS for attended objects in the ventral stream was significantly left-lateralised, whilst repetition effects in ventral and dorsal ROIs correlated with the amount of priming in specific conditions. These fMRI results extend hybrid theories of object recognition, implicating left ventral stream regions in analytic processing (requiring attention), consistent with prior hypotheses about hemispheric specialisation, and implicating dorsal stream regions in holistic processing (independent of attention). PMID:21554967

  15. A computational study of dsDNA pairs and vibrational resonance in separating water.

    PubMed

    Calloway, Richard J; Proctor, Michael D; Boyer, Victor M; Napier, Samantha

    2014-12-01

    This article investigates the relationship between molecular sequence and dependent interacting behavior of molecular segment pairs and secondly, sequence dependent, vibrational resonance in surrounding normal saline, protein-free water. The development of a molecular model to explore these systems phenomena, the results of several nanoscale molecular dynamics simulations, and analysis of behavior of interacting ΦX174 double-stranded DNA segment pair models in various configurations are presented. Fourier analysis revealed intriguing vibration frequencies within the solvent plane between the segments, while subsequent frequency domain transformation of the time domain waveforms revealed statistically significant resonating harmonic signals in the THz range. PMID:26396657

  16. Unsaturated syn- and anti-1,2-amino alcohols by cyclization of allylic bis-trichloroacetimidates. stereoselectivity dependence on substrate configuration.

    PubMed

    Grigorjeva, Liene; Kinens, Artis; Jirgensons, Aigars

    2015-01-16

    Disubstituted allylic bis-imidates undergo Lewis acid catalyzed or spontaneous cyclization to oxazolines, which are precursors of unsaturated amino alcohols. Stereoselectivity of the cyclization is mainly determined by the substrate configuration. Highly selective cis-oxazoline formation is achieved starting from anti-E-bis-imidates while trans-oxazoline predominantly forms from anti-Z-bis-imidates. On the basis of DFT calculations, the stereoselectivity trends can be explained by the formation of the energetically most stable carbenium ion conformation, followed by the cyclization via most favorable bond rotations. PMID:25484278

  17. Twisted Pair Of Insulated Wires Senses Moisture

    NASA Technical Reports Server (NTRS)

    Laue, Eric G.; Stephens, James B.

    1989-01-01

    Sensitivity of electronic moisture sensor to low levels of moisture increased by new electrode configuration. Moisture-sensing circuit described in "Low-Cost Humidity Sensor" (NPO-16544). New twisted pair of wires takes place of flat-plate capacitor in circuit. Configuration allows for thermal expansion and contraction of polymer while maintaining nearly constant area of contact between polymer and wires.

  18. Numerical Analysis on Adsorption Characteristics of Activated Carbon/Ethanol Pair in Finned Tube Type Adsorber

    NASA Astrophysics Data System (ADS)

    Makimoto, Naoya; Kariya, Keishi; Koyama, Shigeru

    The cycle performance of adsorption cooling system depends on the thermophysical properties of the adsorbent/refrigerant pair and configuration of the adsorber/desorber heat exchanger. In this study, a twodimensional analysis is carried out in order to clarify the performance of the finned tube type adsorber/desorber heat exchanger using a highly porous activated carbon powder (ACP)/ethanol pair. The simulation results show that the average cooling capacity per unit volume of adsorber/desorber heat exchanger and coefficient of performance (COP) can be improved by optimizing fin thickness, fin height, fin pitch and tube diameter. The performance of a single stage adsorption cooling system using ACP/ethanol pair is also compared with that of activated carbon fiber (ACF)/ethanol pair. It is found that the cooling capacities of each adsorbent/refrigerant pair increase with the decrease of adsorption/desorption time and the cooling capacity of ACP/ethanol pair is approximately 2.5 times as much as that of ACF/ethanol pair. It is also shown that COP of ACP/ethanol pair is superior to that of ACF/ethanol pair.

  19. Study of hole pair condensation based on the SU(2) Slave-Boson approach to the t-J Hamiltonian: Temperature, momentum and doping dependences of spectral functions

    SciTech Connect

    Salk, S.H.S.; Lee, S.S.

    1999-11-01

    Based on the U(1) and SU(2) slave-boson approaches to the t-J Hamiltonian, the authors evaluate the one electron spectral functions for the hole doped high {Tc} cuprates for comparison with the angle resolved photoemission spectroscopy (ARPES) data. They find that the observed quasiparticle peak in the superconducting state is correlated with the hump which exists in the normal state. They find that the spectral weight of the quasiparticle peak increases as doping rate increases, which is consistent with observation. As a consequence of the phase fluctuation effects of the spinon and holon pairing order parameters the spectral weight of the predicted peak obtained from the SU(2) theory is found to be smaller than the one predicted from U(1) mean field theory.

  20. Age-Related Enhancement of a Protein Synthesis-Dependent Late Phase of LTP Induced by Low Frequency Paired-Pulse Stimulation in Hippocampus

    ERIC Educational Resources Information Center

    Huang, Yan-You; Kandel, Eric R.

    2006-01-01

    Protein synthesis-dependent late phase of LTP (L-LTP) is typically induced by repeated high-frequency stimulation (HFS). This form of L-LTP is reduced in the aged animal and is positively correlated with age-related memory loss. Here we report a novel form of protein synthesis-dependent late phase of LTP in the CA1 region of hippocampus induced by…

  1. Stability of a compound sessile drop at the axisymmetric configuration.

    PubMed

    Zhang, Ying; Chatain, Dominique; Anna, Shelley L; Garoff, Stephen

    2016-01-15

    The equilibrium configuration of compound sessile drops has been calculated previously in the absence of gravity. Using the Laplace equations, we establish seven dimensionless parameters describing the axisymmetric configuration in the presence of gravity. The equilibrium axisymmetric configuration can be either stable or unstable depending on the fluid properties. A stability criterion is established by calculating forces on a perturbed Laplacian shape. In the zero Bond number limit, the stability criterion depends on the density ratio, two ratios of interfacial tensions, the volume ratio of the two drops, and the contact angle. We use Surface Evolver to examine the stability of compound sessile drops at small and large Bond numbers and compare with the zero Bond number approximation. Experimentally, we realize a stable axisymmetric compound sessile drop in air, where the buoyancy force exerted by the air is negligible. Finally, using a pair of fluids in which the density ratio can be tuned nearly independently of the interfacial tensions, the stability transition is verified for the axisymmetric configuration. Even though the perturbations are different for the theory, simulations and experiments, both simulations and experiments agree closely with the zero Bond number approximation, exhibiting a small discrepancy at large Bond number. PMID:26433481

  2. Sudden reversal in the pressure dependence of Tc in the iron-based superconductor CsFe2As2: A possible link between inelastic scattering and pairing symmetry

    NASA Astrophysics Data System (ADS)

    Tafti, F. F.; Clancy, J. P.; Lapointe-Major, M.; Collignon, C.; Faucher, S.; Sears, J. A.; Juneau-Fecteau, A.; Doiron-Leyraud, N.; Wang, A. F.; Luo, X.-G.; Chen, X. H.; Desgreniers, S.; Kim, Young-June; Taillefer, Louis

    2014-04-01

    We report a sudden reversal in the pressure dependence of Tc in the iron-based superconductor CsFe2As2, similar to that discovered recently in KFe2As2 [Tafti et al., Nat. Phys. 9, 349 (2013), 10.1038/nphys2617]. As in KFe2As2, we observe no change in the Hall coefficient at T →0, again ruling out a Lifshitz transition across the critical pressure Pc. We interpret the Tc reversal in the two materials as a phase transition from one pairing state to another, tuned by pressure, and we investigate which parameters control this transition. Comparing samples of different residual resistivity ρ0, we find that a sixfold increase in impurity scattering does not shift Pc. From a study of x-ray diffraction on KFe2As2 under pressure, we report the pressure dependence of lattice constants and As-Fe-As bond angle. The pressure dependence of the various lattice parameters suggests that Pc should be significantly higher in CsFe2As2 than in KFe2As2, but we find on the contrary that Pc is lower in CsFe2As2, indicating that other factors control Tc. Resistivity measurements under pressure reveal a change of regime across Pc, suggesting a possible link between inelastic scattering and pairing symmetry.

  3. Large-amplitude pairing fluctuations in atomic nuclei

    NASA Astrophysics Data System (ADS)

    Vaquero, Nuria López; Egido, J. Luis; Rodríguez, Tomás R.

    2013-12-01

    Pairing fluctuations are self-consistently incorporated on the same footing as the quadrupole deformations in present state-of-the-art calculations including particle-number and angular-momentum conservation as well as configuration mixing. The approach is complemented by the use of the finite-range density-dependent Gogny force which, with a unique source for the particle-hole and particle-particle interactions, guarantees a self-consistent interplay in both channels. We have applied our formalism to study the role of the pairing degree of freedom in the description of the most relevant observables like spectra, transition probabilities, separation energies, etc. We find that the inclusion of pairing fluctuations mostly affects the description of excited states, depending on the excitation energy and the angular momentum. E0 transition probabilities experience rather big changes while E2's are less affected. Genuine pairing vibrations are thoroughly studied with the conclusion that deformations strongly inhibits their existence. These studies have been performed for a selection of nuclei: spherical, deformed, and with different degrees of collectivity.

  4. Optical absorption of the anthracene and temperature-dependent capacitance-voltage characteristics of the Au/anthracene/n-Si heterojunction in metal-organic-semiconductor configuration

    NASA Astrophysics Data System (ADS)

    Kaçus, H.; Aydoğan, Ş.; Ekinci, D.; Kurudirek, S. V.; Türüt, A.

    2015-11-01

    An anthracene film has been deposited on an n-type silicon to fabricate an Au/anthracene/n-Si junction device. The band gap of the anthracene film has been determined from the optical measurement as Eg=1.65 eV. After the fabrication of the Au/anthracene/n-Si junction device, temperature dependent capacitance-voltage characteristics in the range of 160-300 K were studied to obtain the junction parameters of the device. The diffusion potential, barrier height, Fermi energy level and donor concentration parameters have been determined from the linear 1/C2-V curves with reverse bias at all temperatures. Both Fermi energy level and the barrier height increased with the increasing temperature. Temperature-dependence of the barrier height has been attributed to inhomogeneous barrier, traps and interface states. The ionized donor concentrations have varied with the temperature in an unsystematic manner due to the trapping/de-trapping of the charges at various temperatures.

  5. Scheduler for multiprocessor system switch with selective pairing

    DOEpatents

    Gara, Alan; Gschwind, Michael Karl; Salapura, Valentina

    2015-01-06

    System, method and computer program product for scheduling threads in a multiprocessing system with selective pairing of processor cores for increased processing reliability. A selective pairing facility is provided that selectively connects, i.e., pairs, multiple microprocessor or processor cores to provide one highly reliable thread (or thread group). The method configures the selective pairing facility to use checking provide one highly reliable thread for high-reliability and allocate threads to corresponding processor cores indicating need for hardware checking. The method configures the selective pairing facility to provide multiple independent cores and allocate threads to corresponding processor cores indicating inherent resilience.

  6. Pair extended coupled cluster doubles

    SciTech Connect

    Henderson, Thomas M.; Scuseria, Gustavo E.; Bulik, Ireneusz W.

    2015-06-07

    The accurate and efficient description of strongly correlated systems remains an important challenge for computational methods. Doubly occupied configuration interaction (DOCI), in which all electrons are paired and no correlations which break these pairs are permitted, can in many cases provide an accurate account of strong correlations, albeit at combinatorial computational cost. Recently, there has been significant interest in a method we refer to as pair coupled cluster doubles (pCCD), a variant of coupled cluster doubles in which the electrons are paired. This is simply because pCCD provides energies nearly identical to those of DOCI, but at mean-field computational cost (disregarding the cost of the two-electron integral transformation). Here, we introduce the more complete pair extended coupled cluster doubles (pECCD) approach which, like pCCD, has mean-field cost and reproduces DOCI energetically. We show that unlike pCCD, pECCD also reproduces the DOCI wave function with high accuracy. Moreover, pECCD yields sensible albeit inexact results even for attractive interactions where pCCD breaks down.

  7. Pair correlation functions and the wavevector-dependent surface tension in a simple density functional treatment of the liquid-vapour interface

    NASA Astrophysics Data System (ADS)

    Parry, A. O.; Rascón, C.; Willis, G.; Evans, R.

    2014-09-01

    We study the density-density correlation function G(r, r‧) in the interfacial region of a fluid (or Ising-like magnet) with short-ranged interactions using square gradient density functional theory. Adopting a simple double parabola approximation for the bulk free-energy density, we first show that the parallel Fourier transform G(z, z‧ q) and local structure factor S(z q) separate into bulk and excess contributions. We attempt to account for both contributions by deriving an interfacial Hamiltonian, characterised by a wavevector dependent surface tension σ(q), and then reconstructing density correlations from correlations in the interface position. We show that the standard crossing criterion identification of the interface, as a surface of fixed density (or magnetization), does not explain the separation of G(z, z‧ q) and the form of the excess contribution. We propose an alternative definition of the interface position based on the properties of correlations between points that ‘float’ with the surface and show that this describes the full q and z dependence of the excess contributions to both G and S. However, neither the ‘crossing-criterion’ nor the new ‘floating interface’ definition of σ(q) are quantities directly measurable from the total structure factor Stot(q) which contains additional q dependence arising from the non-local relation between fluctuations in the interfacial position and local density. Since it is the total structure factor that is measured experimentally or in simulations, our results have repercussions for earlier attempts to extract and interpret σ(q).

  8. The pH-dependent Client Release from the Collagen-specific Chaperone HSP47 Is Triggered by a Tandem Histidine Pair.

    PubMed

    Oecal, Sinan; Socher, Eileen; Uthoff, Matthias; Ernst, Corvin; Zaucke, Frank; Sticht, Heinrich; Baumann, Ulrich; Gebauer, Jan M

    2016-06-10

    Heat shock protein 47 (HSP47) is an endoplasmic reticulum (ER)-resident collagen-specific chaperone and essential for proper formation of the characteristic collagen triple helix. It preferentially binds to the folded conformation of its clients and accompanies them from the ER to the Golgi compartment, where it releases them and is recycled back to the ER. Unlike other chaperones, the binding and release cycles are not governed by nucleotide exchange and hydrolysis, but presumably the dissociation of the HSP47-procollagen complex is triggered by the lower pH in the Golgi (pH 6.3) compared with the ER (pH 7.4). Histidine residues have been suggested as triggers due to their approximate textbook pKa value of 6.1 for their side chains. We present here an extensive theoretical and experimental study of the 14 histidine residues present in canine HSP47, where we have mutated all histidine residues in the collagen binding interface and additionally all of those that were predicted to undergo a significant change in protonation state between pH 7 and 6. These mutants were characterized by biolayer interferometry for their pH-dependent binding to a collagen model. One mutant (H238N) loses binding, which can be explained by a rearrangement of the Arg(222) and Asp(385) residues, which are crucial for specific collagen recognition. Most of the other mutants were remarkably silent, but a double mutant with His(273) and His(274) exchanged for asparagines exhibits a much less pronounced pH dependence of collagen binding. This effect is mainly caused by a lower koff at the low pH values. PMID:27129216

  9. A Pair of Tabersonine 16-Hydroxylases Initiates the Synthesis of Vindoline in an Organ-Dependent Manner in Catharanthus roseus1[C][W

    PubMed Central

    Besseau, Sébastien; Kellner, Franziska; Lanoue, Arnaud; Thamm, Antje M.K.; Salim, Vonny; Schneider, Bernd; Geu-Flores, Fernando; Höfer, René; Guirimand, Grégory; Guihur, Anthony; Oudin, Audrey; Glevarec, Gaëlle; Foureau, Emilien; Papon, Nicolas; Clastre, Marc; Giglioli-Guivarc’h, Nathalie; St-Pierre, Benoit; Werck-Reichhart, Danièle; Burlat, Vincent; De Luca, Vincenzo; O’Connor, Sarah E.; Courdavault, Vincent

    2013-01-01

    Hydroxylation of tabersonine at the C-16 position, catalyzed by tabersonine 16-hydroxylase (T16H), initiates the synthesis of vindoline that constitutes the main alkaloid accumulated in leaves of Catharanthus roseus. Over the last decade, this reaction has been associated with CYP71D12 cloned from undifferentiated C. roseus cells. In this study, we isolated a second cytochrome P450 (CYP71D351) displaying T16H activity. Biochemical characterization demonstrated that CYP71D12 and CYP71D351 both exhibit high affinity for tabersonine and narrow substrate specificity, making of T16H, to our knowledge, the first alkaloid biosynthetic enzyme displaying two isoforms encoded by distinct genes characterized to date in C. roseus. However, both genes dramatically diverge in transcript distribution in planta. While CYP71D12 (T16H1) expression is restricted to flowers and undifferentiated cells, the CYP71D351 (T16H2) expression profile is similar to the other vindoline biosynthetic genes reaching a maximum in young leaves. Moreover, transcript localization by carborundum abrasion and RNA in situ hybridization demonstrated that CYP71D351 messenger RNAs are specifically located to leaf epidermis, which also hosts the next step of vindoline biosynthesis. Comparison of high- and low-vindoline-accumulating C. roseus cultivars also highlights the direct correlation between CYP71D351 transcript and vindoline levels. In addition, CYP71D351 down-regulation mediated by virus-induced gene silencing reduces vindoline accumulation in leaves and redirects the biosynthetic flux toward the production of unmodified alkaloids at the C-16 position. All these data demonstrate that tabersonine 16-hydroxylation is orchestrated in an organ-dependent manner by two genes including CYP71D351, which encodes the specific T16H isoform acting in the foliar vindoline biosynthesis. PMID:24108213

  10. Temperature dependent absorption cross-sections of O2-O2 collision pairs between 340 and 630 nm and at atmospherically relevant pressure.

    PubMed

    Thalman, Ryan; Volkamer, Rainer

    2013-10-01

    The collisions between two oxygen molecules give rise to O4 absorption in the Earth atmosphere. O4 absorption is relevant to atmospheric transmission and Earth's radiation budget. O4 is further used as a reference gas in Differential Optical Absorption Spectroscopy (DOAS) applications to infer properties of clouds and aerosols. The O4 absorption cross section spectrum of bands centered at 343, 360, 380, 446, 477, 532, 577 and 630 nm is investigated in dry air and oxygen as a function of temperature (203-295 K), and at 820 mbar pressure. We characterize the temperature dependent O4 line shape and provide high precision O4 absorption cross section reference spectra that are suitable for atmospheric O4 measurements. The peak absorption cross-section is found to increase at lower temperatures due to a corresponding narrowing of the spectral band width, while the integrated cross-section remains constant (within <3%, the uncertainty of our measurements). The enthalpy of formation is determined to be ΔH(250) = -0.12 ± 0.12 kJ mol(-1), which is essentially zero, and supports previous assignments of O4 as collision induced absorption (CIA). At 203 K, van der Waals complexes (O(2-dimer)) contribute less than 0.14% to the O4 absorption in air. We conclude that O(2-dimer) is not observable in the Earth atmosphere, and as a consequence the atmospheric O4 distribution is for all practical means and purposes independent of temperature, and can be predicted with an accuracy of better than 10(-3) from knowledge of the oxygen concentration profile. PMID:23928555

  11. Operational Dynamic Configuration Analysis

    NASA Technical Reports Server (NTRS)

    Lai, Chok Fung; Zelinski, Shannon

    2010-01-01

    Sectors may combine or split within areas of specialization in response to changing traffic patterns. This method of managing capacity and controller workload could be made more flexible by dynamically modifying sector boundaries. Much work has been done on methods for dynamically creating new sector boundaries [1-5]. Many assessments of dynamic configuration methods assume the current day baseline configuration remains fixed [6-7]. A challenging question is how to select a dynamic configuration baseline to assess potential benefits of proposed dynamic configuration concepts. Bloem used operational sector reconfigurations as a baseline [8]. The main difficulty is that operational reconfiguration data is noisy. Reconfigurations often occur frequently to accommodate staff training or breaks, or to complete a more complicated reconfiguration through a rapid sequence of simpler reconfigurations. Gupta quantified a few aspects of airspace boundary changes from this data [9]. Most of these metrics are unique to sector combining operations and not applicable to more flexible dynamic configuration concepts. To better understand what sort of reconfigurations are acceptable or beneficial, more configuration change metrics should be developed and their distribution in current practice should be computed. This paper proposes a method to select a simple sequence of configurations among operational configurations to serve as a dynamic configuration baseline for future dynamic configuration concept assessments. New configuration change metrics are applied to the operational data to establish current day thresholds for these metrics. These thresholds are then corroborated, refined, or dismissed based on airspace practitioner feedback. The dynamic configuration baseline selection method uses a k-means clustering algorithm to select the sequence of configurations and trigger times from a given day of operational sector combination data. The clustering algorithm selects a simplified

  12. Orbiting pairs of walking droplets

    NASA Astrophysics Data System (ADS)

    Siefert, Emmanuel; Bush, John W. M.; Oza, Anand

    2015-11-01

    Droplets may self-propel on the surface of a vibrating fluid bath, pushed forward by their own Faraday pilot-wave field. We present the results of a combined experimental and theoretical investigation of the interaction of pairs of such droplets. Particular attention is given to characterizing the system's dependence on the vibrational forcing of the bath and the impact parameter of the walking droplets. Observed criteria for the capture and stability of orbital pairs are rationalized by accompanying theoretical developments. Thanks to the NSF.

  13. Improved Hodograph Method and the Amplitude-Phase Gradient Method to estimate the latitude dependence of the FLR frequency, plasma density, and the resonance width using data from a ground magnetometer pair: Application to CARISMA and MAGDAS station pairs in North America

    NASA Astrophysics Data System (ADS)

    Kawano, H.; Pilipenko, V.; Mann, I. R.; Milling, D. K.; Saita, S.; Kitamura, K.; Yumoto, K.; Yoshikawa, A.

    2014-12-01

    The Improved Hodograph Method (IHM below) and the Amplitude-Phase Gradient Method (APGM below) are both applied to data from two ground magnetometers latitudinally separated by ~100km and yield the field-line-resonance (FLR) frequency and the ionospheric resonance width as functions of the latitude; from the FLR frequency we can estimate the magnetospheric plasma mass density, and from the resonance width we can estimate the damping rate of FLR, which is related to how much of the FLR-generated ULF waves are absorbed by the ionosphere. The both methods apply FFT to the two magnetometers' data, and calculate the amplitude ratio and the cross phase from the two stations' data as functions of the frequency. From there the two methods use different approaches: IHM fits a curve to the obtained ratio (as a complex number including both the amplitude ratio and the cross phase) on the complex plane to separate out the non-FLR signal in the data, while APGM assumes that the obtained amplitude ratio and cross phase include the FLR signal only and obtains the FLR frequency and the resonance width in an algebraic manner. In this paper we apply the two methods to simultaneously observed data from ground station pairs of WAD (CGM latitude and longitude: 61.3 and 318.3) - WEYB (58.6, 320.9), LGRR (61.8, 332.4) - PINA (60.0, 331.8), and PINA - THRF (57.8, 331.5), where WAD belongs to MAGDAS/CPMN while the other four belong to CARISMA. We show that IHM can properly estimate the latitudinal profile of the resonance width (which is the improved point of IHM over the original Hodograph Method) by comparing the results of applying IHM to the LGRR-PINA and PINA-THRF pairs, located along the same meridian. We also compare the IHM and APGM results to support the above-stated advantage of IHM over APGM. In addition, comparing the results of applying IHM and APGM to WAD-WEYB and LGRR-PINA-THRF, having similar latitudes but different longitudes, we discuss the longitude dependence of the FLR

  14. Atomistic Simulations on the Thermal Stability of the Antisite Pair in 3C- and 4H-SiC

    SciTech Connect

    Posselt, Matthias; Gao, Fei; Weber, William J.

    2006-03-31

    The thermal stability of the first-neighbor antisite pair configurations in 3C- and 4H-SiC is investigated by a comprehensive atomistic study. At first the structure and energetics of these defects is determined in order to check the accuracy of the Gao-Weber interatomic potential used. The results are comparable with literature data obtained by the density-functional theory. Then, the lifetime of the antisite pair configurations is calculated for temperatures between 800 and 2500 K. Both in 3C- and 4H-SiC the thermal stability of the antisite pairs is rather low. In contrast to previous theoretical interpretations, the antisite pair can be therefore not correlated with the DI photoluminescence center that is stable to above 2000 K. The atomic mechanisms during the recombination of the antisite pair in 3C-SiC and of three antisite pair configurations in 4H-SiC is a modified concerted exchange. Due to the different sizes of the silicon and the carbon atoms, this process is not identical with the concerted exchange in Si. Two intermediate metastable configurations found during the recombination are similar to the bond defect in Si. Since the SiC lattice contains two types of atoms, there are also two different types of bond defects. The two bond defects can be considered as the result of the incomplete recombination of a carbon vacancy and a neighboring mixed dumbbell interstitial. For selected temperatures the thermal stability of the antisite pair in 3C-SiC is investigated by molecular dynamics simulations that are based on the density-functional theory. Their results are very similar to those of the atomistic study, i.e. the Gao-Weber potential describes the antisite pair and its recombination reasonably well. The antisite pair in 4H-SiC with the two atoms on hexagonal sites has a slightly different formation energy than the other three antisite pair configurations in 4H-SiC. Its lifetime shows another dependence on the temperature, and its recombination is

  15. Configurational entropy in thermoset polymers.

    PubMed

    Jensen, Martin; Jakobsen, Johnny

    2015-04-30

    The configurational entropy describes the atomic structure in a material and controls several material properties. Often the configurational entropy is determined through dielectric or calorimetric measurements where the difference between the entropies of the crystalline state and the amorphous state is determined. Many amorphous materials such as thermoset polymers have a high crystallization barrier, greatly limiting the applicability of the existing methods for determining the configurational entropy. In this work, a novel differential scanning calorimetry (DSC) method, based on measurement of the glass transition temperature at different heating rates, for determination of the configurational entropy is introduced. The theory behind the method has a universal character for amorphous materials, as it solely involves measurement of the glass transition temperature. The temperature dependency of the configurational entropy is determined for epoxy resins and PMMA (poly(methyl methacrylate)) to demonstrate the versatility of the method. On the basis of the findings of the introduced method, the influence of the degree of cross-linking and the chemical structure of the network is discussed. PMID:25844504

  16. Pairing effects in nuclear dynamic

    NASA Astrophysics Data System (ADS)

    Lacroix, Denis; Scamps, Guillaume; Tanimura, Yusuke

    2016-05-01

    In recent years, efforts have been made to account for super-fluidity in time-dependent mean-field description of nuclear dynamic [1-5]. Inclusion of pairing is important to achieve a realistic description of static properties of nuclei. Here,we show that pairing can also affect the nuclear motion. State of the art TDHF approach can describe from small to large amplitude collective motion as well as the collision between nuclei. Very recently, this microscopic approach has been improved to include pairing either in the BCS or HFB framework. Recent applications of the 3D TDHF + BCS (TDHF+BCS) model introduced in [4] will be presented. The role of super-fluidity on collective motion [6, 7], on one- and two-particle transfer [8] and on fission [9, 10] will be illustrated.

  17. Coherence of Coupled Dangling-Bond Pairs on the Silicon Surface

    NASA Astrophysics Data System (ADS)

    Shaterzadeh-Yazdi, Zahra

    We characterize coherent dynamics of closely-spaced dangling bond (DB) pairs positioned on a silicon surface and sharing an excess electron. We investigate whether a coupled-DB pair is a potential candidate for a charge qubit. A dangling bond is an atomic-scale entity that acts like a quantum dot. By shrinking the scale of the quantum dots and the spacing between them, we expect that the excess-electron tunneling rate increases dramatically with decreasing inter-dot separation, while decoherence scales weakly. Our analysis of the coherent dynamics of coupled-DB pairs shows promise in this respect. The extremely high tunneling rate of the DB excess charge greatly exceeds the expected decoherence rates for a silicon-based system, thereby overcoming the critical obstacle of charge qubits for quantum computing purposes. However, this scaling advantage comes at the price of requiring rapid control and readout. We devise a scheme for measuring the DB-pair dynamics, but investigating the fast control is beyond the scope of this thesis. Furthermore, we investigate the effect of the silicon-surface structure on the coherence of a coupled-DB pair. The silicon surface of interest is well patterned, but it has an anisotropic structure. Therefore, the coupling strength of a DB pair depends on the arrangement of the DBs on the silicon surface. We employ ab initio techniques and calculate the energy splitting for a wide variety of coupled DB-pair configurations on this surface. The results show that the energy splitting (and consequently the tunneling rate of the DB-pair excess charge) is a function of the DBs' location on the surface and also it strongly depends on the structural orientation of the DBs' orbital. Based on the results, DB-pair configurations are categorized into four groups, such that the changing rate of energy splitting versus DB-pair separation is different among the groups. Knowing about the effect of the surface structure on the DB-pair energy splitting is

  18. Fundamental aspects of recoupled pair bonds. I. Recoupled pair bonds in carbon and sulfur monofluoride

    SciTech Connect

    Dunning, Thom H. Xu, Lu T.; Takeshita, Tyler Y.

    2015-01-21

    The number of singly occupied orbitals in the ground-state atomic configuration of an element defines its nominal valence. For carbon and sulfur, with two singly occupied orbitals in their {sup 3}P ground states, the nominal valence is two. However, in both cases, it is possible to form more bonds than indicated by the nominal valence—up to four bonds for carbon and six bonds for sulfur. In carbon, the electrons in the 2s lone pair can participate in bonding, and in sulfur the electrons in both the 3p and 3s lone pairs can participate. Carbon 2s and sulfur 3p recoupled pair bonds are the basis for the tetravalence of carbon and sulfur, and 3s recoupled pair bonds enable sulfur to be hexavalent. In this paper, we report generalized valence bond as well as more accurate calculations on the a{sup 4}Σ{sup −} states of CF and SF, which are archetypal examples of molecules that possess recoupled pair bonds. These calculations provide insights into the fundamental nature of recoupled pair bonds and illustrate the key differences between recoupled pair bonds formed with the 2s lone pair of carbon, as a representative of the early p-block elements, and recoupled pair bonds formed with the 3p lone pair of sulfur, as a representative of the late p-block elements.

  19. International Space Station Configuration Analysis and Integration

    NASA Technical Reports Server (NTRS)

    Anchondo, Rebekah

    2016-01-01

    Ambitious engineering projects, such as NASA's International Space Station (ISS), require dependable modeling, analysis, visualization, and robotics to ensure that complex mission strategies are carried out cost effectively, sustainably, and safely. Learn how Booz Allen Hamilton's Modeling, Analysis, Visualization, and Robotics Integration Center (MAVRIC) team performs engineering analysis of the ISS Configuration based primarily on the use of 3D CAD models. To support mission planning and execution, the team tracks the configuration of ISS and maintains configuration requirements to ensure operational goals are met. The MAVRIC team performs multi-disciplinary integration and trade studies to ensure future configurations meet stakeholder needs.

  20. Insensitivity of the pressure dependences of characteristic energy scales in Ce1–xRxCoIn₅ (R=Yb,Y,Gd) to the electronic configuration of the rare-earth ion

    DOE PAGESBeta

    White, B. D.; Hamlin, J. J.; Huang, K.; Shu, L.; Lum, I. K.; Baumbach, R. E.; Janoschek, M.; Maple, M. B.

    2012-09-11

    Cooperative Ce and Yb valence fluctuations have recently been proposed as the mechanism responsible for stabilizing correlated electron phenomena in Ce₁₋xYbxCoIn₅ over an unexpectedly large range of concentrations. In order to better understand the origins and character of this stability, we have measured the effect of applied pressure on relevant energy scales such as the superconducting critical (Tc) and Kondo-lattice coherence (T*) temperatures of Ce₁₋xRxCoIn₅ with R=Yb, Y, and Gd. Electrical resistivity measurements were performed under applied pressure on samples doped with intermediate-valent Yb and stable-valent Gd and Y, and the responses of Tc and T* to increased pressure inmore » these systems are compared. The character of Tc(P) and T*(P) in Ce₁₋xRxCoIn₅ depends only on their respective ambient-pressure values Tc(0) and T*(0), independent of the electronic configuration of R or concentration x. The consequences of this result are discussed within the context of possible cooperative valence fluctuations in Ce₁₋xYbxCoIn₅.« less

  1. Insensitivity of the pressure dependences of characteristic energy scales in Ce1–xRxCoIn₅ (R=Yb,Y,Gd) to the electronic configuration of the rare-earth ion

    SciTech Connect

    White, B. D.; Hamlin, J. J.; Huang, K.; Shu, L.; Lum, I. K.; Baumbach, R. E.; Janoschek, M.; Maple, M. B.

    2012-09-11

    Cooperative Ce and Yb valence fluctuations have recently been proposed as the mechanism responsible for stabilizing correlated electron phenomena in Ce₁₋xYbxCoIn₅ over an unexpectedly large range of concentrations. In order to better understand the origins and character of this stability, we have measured the effect of applied pressure on relevant energy scales such as the superconducting critical (Tc) and Kondo-lattice coherence (T*) temperatures of Ce₁₋xRxCoIn₅ with R=Yb, Y, and Gd. Electrical resistivity measurements were performed under applied pressure on samples doped with intermediate-valent Yb and stable-valent Gd and Y, and the responses of Tc and T* to increased pressure in these systems are compared. The character of Tc(P) and T*(P) in Ce₁₋xRxCoIn₅ depends only on their respective ambient-pressure values Tc(0) and T*(0), independent of the electronic configuration of R or concentration x. The consequences of this result are discussed within the context of possible cooperative valence fluctuations in Ce₁₋xYbxCoIn₅.

  2. Computer Lab Configuration.

    ERIC Educational Resources Information Center

    Wodarz, Nan

    2003-01-01

    Describes the layout and elements of an effective school computer lab. Includes configuration, storage spaces, cabling and electrical requirements, lighting, furniture, and computer hardware and peripherals. (PKP)

  3. Finite Momentum Pairing and Spatially Varying Order Parameter in Proximitized HgTe Quantum Wells

    NASA Astrophysics Data System (ADS)

    Yacoby, Amir

    Conventional s-wave superconductivity is understood to arise from singlet pairing of electrons with opposite Fermi momenta, forming Cooper pairs whose net momentum is zero. Several recent studies have focused on structures where such conventional s-wave superconductors are coupled to systems with an unusual configuration of electronic spin and momentum at the Fermi surface. Under these conditions, the nature of the paired state can be modified and the system may even undergo a topological phase transition. Here we present measurements and theoretical calculations of several HgTe quantum wells coupled to either aluminum or niobium superconductors and subject to a magnetic field in the plane of the quantum well. By studying the oscillatory response of Josephson interference to the magnitude of the in-plane magnetic field, we find that the induced pairing within the quantum well oscillates between singlet and triplet pairing and is spatially varying. Cooper pairs acquire a tunable momentum that grows with magnetic field strength, directly reflecting the response of the spin-dependent Fermi surfaces to the in-plane magnetic field. Our new understanding of the interplay between spin physics and superconductivity introduces a way to spatially engineer the order parameter, as well as a general framework within which to investigate electronic spin texture at the Fermi surface of materials.

  4. Configuration Management Process Assessment Strategy

    NASA Technical Reports Server (NTRS)

    Henry, Thad

    2014-01-01

    Purpose: To propose a strategy for assessing the development and effectiveness of configuration management systems within Programs, Projects, and Design Activities performed by technical organizations and their supporting development contractors. Scope: Various entities CM Systems will be assessed dependent on Project Scope (DDT&E), Support Services and Acquisition Agreements. Approach: Model based structured against assessing organizations CM requirements including best practices maturity criteria. The model is tailored to the entity being assessed dependent on their CM system. The assessment approach provides objective feedback to Engineering and Project Management of the observed CM system maturity state versus the ideal state of the configuration management processes and outcomes(system). center dot Identifies strengths and risks versus audit gotcha's (findings/observations). center dot Used "recursively and iteratively" throughout program lifecycle at select points of need. (Typical assessments timing is Post PDR/Post CDR) center dot Ideal state criteria and maturity targets are reviewed with the assessed entity prior to an assessment (Tailoring) and is dependent on the assessed phase of the CM system. center dot Supports exit success criteria for Preliminary and Critical Design Reviews. center dot Gives a comprehensive CM system assessment which ultimately supports configuration verification activities.*

  5. Moment ratios and dynamic critical behavior of a reactive system with several absorbing configurations.

    PubMed

    de Andrade, M F; Figueiredo, W

    2011-03-01

    We determine the critical behavior of a reactive model with many absorbing configurations. Monomers A and B land on the sites of a linear lattice and can react depending on the state of their nearest-neighbor sites. The probability of a reaction depends on temperature of the catalyst as well as on the energy coupling between pairs of nearest-neighbor monomers. We employ Monte Carlo simulations to calculate the moments of the order parameter of the model as a function of temperature. Some ratios between pairs of moments are independent of temperature and are in the same universality class of the contact process. We also find the dynamical critical exponents of the model and we show that they are in the directed percolation universality class whatever the values of temperature. PMID:21517455

  6. Aircraft Configured for Flight in an Atmosphere Having Low Density

    NASA Technical Reports Server (NTRS)

    Croom, Mark A. (Inventor); Smith, Stephen C. (Inventor); Gelhausen, Paul A. (Inventor); Guynn, Mark D. (Inventor); Hunter, Craig A. (Inventor); Paddock, David A. (Inventor); Riddick, Steven E. (Inventor); Teter, Jr., John E. (Inventor)

    2012-01-01

    An aircraft is configured for flight in an atmosphere having a low density. The aircraft includes a fuselage, a pair of wings, and a rear stabilizer. The pair of wings extends from the fuselage in opposition to one another. The rear stabilizer extends from the fuselage in spaced relationship to the pair of wings. The fuselage, the wings, and the rear stabilizer each present an upper surface opposing a lower surface. The upper and lower surfaces have X, Y, and Z coordinates that are configured for flight in an atmosphere having low density.

  7. Contact Pairing Interaction for the Hartree-Fock-Bogoliubov Calculations

    SciTech Connect

    Dobaczewski, J.

    2001-10-18

    Properties of density-dependent contact pairing interactions in nuclei are discussed. It is shown that the pairing interaction that is intermediate between surface and volume pairing forces gives the pairing gaps that are compatible with the experimental odd-even mass staggering. Results of the deformed Hartree-Fock-Bogoliubov calculations for this ''mixed'' pairing interaction, and using the transformed harmonic oscillator basis, are presented.

  8. Matched-pair classification

    SciTech Connect

    Theiler, James P

    2009-01-01

    Following an analogous distinction in statistical hypothesis testing, we investigate variants of machine learning where the training set comes in matched pairs. We demonstrate that even conventional classifiers can exhibit improved performance when the input data has a matched-pair structure. Online algorithms, in particular, converge quicker when the data is presented in pairs. In some scenarios (such as the weak signal detection problem), matched pairs can be generated from independent samples, with the effect not only doubling the nominal size of the training set, but of providing the structure that leads to better learning. A family of 'dipole' algorithms is introduced that explicitly takes advantage of matched-pair structure in the input data and leads to further performance gains. Finally, we illustrate the application of matched-pair learning to chemical plume detection in hyperspectral imagery.

  9. Explicitly correlated multireference configuration interaction: MRCI-F12

    NASA Astrophysics Data System (ADS)

    Shiozaki, Toru; Knizia, Gerald; Werner, Hans-Joachim

    2011-01-01

    An internally contracted multireference configuration interaction is developed which employs wave functions that explicitly depend on the electron-electron distance (MRCI-F12). This MRCI-F12 method has the same applicability as the MRCI method, while having much improved basis-set convergence with little extra computational cost. The F12b approximation is used to arrive at a computationally efficient implementation. The MRCI-F12 method is applied to the singlet-triplet separation of methylene, the dissociation energy of ozone, properties of diatomic molecules, and the reaction barrier and exothermicity of the F + H{}_2 reaction. These examples demonstrate that already with basis sets of moderate size the method provides near complete basis set MRCI accuracy, and hence quantitative agreement with the experimental data. As a side product, we have also implemented the explicitly correlated multireference averaged coupled pair functional method (MRACPF-F12).

  10. Explicitly correlated multireference configuration interaction: MRCI-F12.

    PubMed

    Shiozaki, Toru; Knizia, Gerald; Werner, Hans-Joachim

    2011-01-21

    An internally contracted multireference configuration interaction is developed which employs wave functions that explicitly depend on the electron-electron distance (MRCI-F12). This MRCI-F12 method has the same applicability as the MRCI method, while having much improved basis-set convergence with little extra computational cost. The F12b approximation is used to arrive at a computationally efficient implementation. The MRCI-F12 method is applied to the singlet-triplet separation of methylene, the dissociation energy of ozone, properties of diatomic molecules, and the reaction barrier and exothermicity of the F + H(2) reaction. These examples demonstrate that already with basis sets of moderate size the method provides near complete basis set MRCI accuracy, and hence quantitative agreement with the experimental data. As a side product, we have also implemented the explicitly correlated multireference averaged coupled pair functional method (MRACPF-F12). PMID:21261336

  11. Configuration Effects on Liner Performance

    NASA Technical Reports Server (NTRS)

    Gerhold, Carl H.; Brown, Martha C.; Jones, Michael G.; Howerton, Brian M.

    2012-01-01

    The acoustic performance of a duct liner depends not only on the intrinsic properties of the liner but also on the configuration of the duct in which it is used. A series of experiments is performed in the NASA Langley Research Center Curved Duct Test Rig (at Mach 0.275) to evaluate the effect of duct configuration on the acoustic performance of single degree of freedom perforate-over-honeycomb liners. The liners form the sidewalls of the duct's test section. Variations of duct configuration include: asymmetric (liner on one side and hard wall opposite) and symmetric (liner on both sides) wall treatment; inlet and exhaust orientation, in which the sound propagates either against or with the flow; and straight and curved flow path. The effect that duct configuration has on the overall acoustic performance, particularly the shift in frequency and magnitude of peak attenuation, is quantified. The redistribution of incident mode content is shown. The liners constitute the side walls of the liner test section and the scatter of incident horizontal order 1 mode by the asymmetric treatment and order 2 mode by the symmetric treatment into order 0 mode is shown. Scatter of order 0 incident modes into higher order modes is also shown. This redistribution of mode content is significant because it indicates that the liner design can be manipulated such that energy is scattered into more highly attenuated modes, thus enhancing liner performance.

  12. Vortex pairs on surfaces

    SciTech Connect

    Koiller, Jair

    2009-05-06

    A pair of infinitesimally close opposite vortices moving on a curved surface moves along a geodesic, according to a conjecture by Kimura. We outline a proof. Numerical simulations are presented for a pair of opposite vortices at a close but nonzero distance on a surface of revolution, the catenoid. We conjecture that the vortex pair system on a triaxial ellipsoid is a KAM perturbation of Jacobi's geodesic problem. We outline some preliminary calculations required for this study. Finding the surfaces for which the vortex pair system is integrable is in order.

  13. Final Report on project Photoinduced Dipoles and Charge Pairs in Condensed Media

    SciTech Connect

    Braun, Charles L.

    2006-09-27

    find that the dipole moments increase strongly with solvent polarity. Under the simplifying assumption that the folded, contact configuration and the extended, solvent-separated configuration are the only two stable species after electron transfer quenching, the formation efficiencies of contact radical ion pairs (CRIPs) and solvent-separated ion pairs (SSRIPs) are estimated in different solvents. The results indicate that a significant fraction of the ion pairs exists as solvent-spearated ion pairs when the dielectric constant of the solvent is larger than 10 and that electron transfer quenching can indeed happen at large separations in polar solvents. Light-induced charge separation often occurs at the interfaces and surfaces in solar cells and other electro-optic devices. To produce a substantial photovoltaic effect, the electrically neutral excitons formed by photon absorption must diffuse to an interface and produce ion pairs by dissociation. Since low dielectric constants of 3-4 are typical for organic materials used to fabricate OPV cells, the geminate ion pairs formed after exciton dissociation are believed to have short separations and are strongly bound by Coulomb interaction. The binding energy can be estimated to be ~0.25 eV. However, the experimentally observed activation energies are typically less than 0.1 eV. The .weak temperature dependence of carrier photo generation indicates that, somehow, geminate ion pairs are formed at large separation or that some sort of energy assists separation of nearby geminate ion pairs into free ions. To understand the underlying mechanism behind the above observations; a model based on what we have learned from solution was developed for charge separation at interfaces or surfaces. It was proposed that, in order for loose radical ion pairs with long separations to escape in media with dielectric constants of 3-4, a potential barrier that can effectively stop their collapse is critically needed. Based on our model, it is

  14. EPR pairing dynamics in Hubbard model with resonant U

    PubMed Central

    Zhang, X. Z.; Song, Z.

    2016-01-01

    We study the dynamics of the collision between two fermions in Hubbard model with on-site interaction strength U. The exact solution shows that the scattering matrix for two-wavepacket collision is separable into two independent parts, operating on spatial and spin degrees of freedom, respectively. The S-matrix for spin configuration is equivalent to that of Heisenberg-type pulsed interaction with the strength depending on U and relative group velocity vr. This can be applied to create distant EPR pair, through a collision process for two fermions with opposite spins in the case of |vr/U| = 1, without the need for temporal control and measurement process. Multiple collision process for many particles is also discussed. PMID:26728282

  15. Cooper Pairs in Insulators?!

    ScienceCinema

    James Valles

    2010-01-08

    Nearly 50 years elapsed between the discovery of superconductivity and the emergence of the microscopic theory describing this zero resistance state. The explanation required a novel phase of matter in which conduction electrons joined in weakly bound pairs and condensed with other pairs into a single quantum state. Surprisingly, this Cooper pair formation has also been invoked to account for recently uncovered high-resistance or insulating phases of matter. To address this possibility, we have used nanotechnology to create an insulating system that we can probe directly for Cooper pairs. I will present the evidence that Cooper pairs exist and dominate the electrical transport in these insulators and I will discuss how these findings provide new insight into superconductor to insulator quantum phase transitions. 

  16. FEL phased array configurations

    NASA Astrophysics Data System (ADS)

    Shellan, Jeffrey B.

    1986-01-01

    The advantages and disadvantages of various phased array and shared aperture concepts for FEL configurations are discussed. Consideration is given to the characteristics of intra- and inter-micropulse phasing; intra-macropulse phasing; an internal coupled resonator configuration; and an injection locked oscillator array. The use of a master oscillator power amplifier (MOPA) configuration with multiple or single master oscillators for FELs is examined. The venetian blind, rotating plate, single grating, and grating rhomb shared aperture concepts are analyzed. It is noted that the shared aperture approach using a grating rhomb and the MOPA concept with a single master oscillator and a coupled resonator are useful for FEL phased array configurations; and the MOPA concept is most applicable.

  17. ION Configuration Editor

    NASA Technical Reports Server (NTRS)

    Borgen, Richard L.

    2013-01-01

    The configuration of ION (Inter - planetary Overlay Network) network nodes is a manual task that is complex, time-consuming, and error-prone. This program seeks to accelerate this job and produce reliable configurations. The ION Configuration Editor is a model-based smart editor based on Eclipse Modeling Framework technology. An ION network designer uses this Eclipse-based GUI to construct a data model of the complete target network and then generate configurations. The data model is captured in an XML file. Intrinsic editor features aid in achieving model correctness, such as field fill-in, type-checking, lists of valid values, and suitable default values. Additionally, an explicit "validation" feature executes custom rules to catch more subtle model errors. A "survey" feature provides a set of reports providing an overview of the entire network, enabling a quick assessment of the model s completeness and correctness. The "configuration" feature produces the main final result, a complete set of ION configuration files (eight distinct file types) for each ION node in the network.

  18. Electron pairing without superconductivity.

    PubMed

    Cheng, Guanglei; Tomczyk, Michelle; Lu, Shicheng; Veazey, Joshua P; Huang, Mengchen; Irvin, Patrick; Ryu, Sangwoo; Lee, Hyungwoo; Eom, Chang-Beom; Hellberg, C Stephen; Levy, Jeremy

    2015-05-14

    Strontium titanate (SrTiO3) is the first and best known superconducting semiconductor. It exhibits an extremely low carrier density threshold for superconductivity, and possesses a phase diagram similar to that of high-temperature superconductors--two factors that suggest an unconventional pairing mechanism. Despite sustained interest for 50 years, direct experimental insight into the nature of electron pairing in SrTiO3 has remained elusive. Here we perform transport experiments with nanowire-based single-electron transistors at the interface between SrTiO3 and a thin layer of lanthanum aluminate, LaAlO3. Electrostatic gating reveals a series of two-electron conductance resonances-paired electron states--that bifurcate above a critical pairing field Bp of about 1-4 tesla, an order of magnitude larger than the superconducting critical magnetic field. For magnetic fields below Bp, these resonances are insensitive to the applied magnetic field; for fields in excess of Bp, the resonances exhibit a linear Zeeman-like energy splitting. Electron pairing is stable at temperatures as high as 900 millikelvin, well above the superconducting transition temperature (about 300 millikelvin). These experiments demonstrate the existence of a robust electronic phase in which electrons pair without forming a superconducting state. Key experimental signatures are captured by a model involving an attractive Hubbard interaction that describes real-space electron pairing as a precursor to superconductivity. PMID:25971511

  19. Electron pairing without superconductivity

    NASA Astrophysics Data System (ADS)

    Cheng, Guanglei; Tomczyk, Michelle; Lu, Shicheng; Veazey, Joshua P.; Huang, Mengchen; Irvin, Patrick; Ryu, Sangwoo; Lee, Hyungwoo; Eom, Chang-Beom; Hellberg, C. Stephen; Levy, Jeremy

    2015-05-01

    Strontium titanate (SrTiO3) is the first and best known superconducting semiconductor. It exhibits an extremely low carrier density threshold for superconductivity, and possesses a phase diagram similar to that of high-temperature superconductors--two factors that suggest an unconventional pairing mechanism. Despite sustained interest for 50 years, direct experimental insight into the nature of electron pairing in SrTiO3 has remained elusive. Here we perform transport experiments with nanowire-based single-electron transistors at the interface between SrTiO3 and a thin layer of lanthanum aluminate, LaAlO3. Electrostatic gating reveals a series of two-electron conductance resonances--paired electron states--that bifurcate above a critical pairing field Bp of about 1-4 tesla, an order of magnitude larger than the superconducting critical magnetic field. For magnetic fields below Bp, these resonances are insensitive to the applied magnetic field; for fields in excess of Bp, the resonances exhibit a linear Zeeman-like energy splitting. Electron pairing is stable at temperatures as high as 900 millikelvin, well above the superconducting transition temperature (about 300 millikelvin). These experiments demonstrate the existence of a robust electronic phase in which electrons pair without forming a superconducting state. Key experimental signatures are captured by a model involving an attractive Hubbard interaction that describes real-space electron pairing as a precursor to superconductivity.

  20. Electron pairing without superconductivity

    NASA Astrophysics Data System (ADS)

    Levy, Jeremy

    Strontium titanate (SrTiO3) is the first and best known superconducting semiconductor. It exhibits an extremely low carrier density threshold for superconductivity, and possesses a phase diagram similar to that of high-temperature superconductors--two factors that suggest an unconventional pairing mechanism. Despite sustained interest for 50 years, direct experimental insight into the nature of electron pairing in SrTiO3 has remained elusive. Here we perform transport experiments with nanowire-based single-electron transistors at the interface between SrTiO3 and a thin layer of lanthanum aluminate, LaAlO3. Electrostatic gating reveals a series of two-electron conductance resonances--paired electron states--that bifurcate above a critical pairing field Bp of about 1-4 tesla, an order of magnitude larger than the superconducting critical magnetic field. For magnetic fields below Bp, these resonances are insensitive to the applied magnetic field; for fields in excess of Bp, the resonances exhibit a linear Zeeman-like energy splitting. Electron pairing is stable at temperatures as high as 900 millikelvin, well above the superconducting transition temperature (about 300 millikelvin). These experiments demonstrate the existence of a robust electronic phase in which electrons pair without forming a superconducting state. Key experimental signatures are captured by a model involving an attractive Hubbard interaction that describes real-space electron pairing as a precursor to superconductivity. Support from AFOSR, ONR, ARO, NSF, DOE and NSSEFF is gratefully acknowledged.

  1. CFD Simulations of Tiltrotor Configurations in Hover

    NASA Technical Reports Server (NTRS)

    Potsdam, Mark a.; Strawn, Roger C.

    2002-01-01

    Navier-Stokes computational fluid dynamics calculations are presented for isolated, half-span, and full-span V-22 tiltrotor hover configurations. These computational results extend the validity of CFD hover methodology beyond conventional rotorcraft applications to tiltrotor configurations. Computed steady-state, isolated rotor performance agrees well with experimental measurements, showing little sensitivity to grid resolution. However, blade-vortex interaction flowfield details are sensitive to numerical dissipation and are more difficult to model accurately. Time-dependent, dynamic, half- and full-span installed configurations show sensitivities in performance to the tiltrotor fountain flow. As such, the full-span configuration exhibits higher rotor performance and lower airframe download than the half-span configuration. Half-span rotor installation trends match available half-span data, and airframe downloads are reasonably well predicted. Overall, the CFD solutions provide a wealth of flowfield details that can be used to analyze and improve tiltrotor aerodynamic performance.

  2. Seniority zero pair coupled cluster doubles theory

    SciTech Connect

    Stein, Tamar; Henderson, Thomas M.; Scuseria, Gustavo E.

    2014-06-07

    Coupled cluster theory with single and double excitations accurately describes weak electron correlation but is known to fail in cases of strong static correlation. Fascinatingly, however, pair coupled cluster doubles (p-CCD), a simplified version of the theory limited to pair excitations that preserve the seniority of the reference determinant (i.e., the number of unpaired electrons), has mean field computational cost and is an excellent approximation to the full configuration interaction (FCI) of the paired space provided that the orbital basis defining the pairing scheme is adequately optimized. In previous work, we have shown that optimization of the pairing scheme in the seniority zero FCI leads to a very accurate description of static correlation. The same conclusion extends to p-CCD if the orbitals are optimized to make the p-CCD energy stationary. We here demonstrate these results with numerous examples. We also explore the contributions of different seniority sectors to the coupled cluster doubles (CCD) correlation energy using different orbital bases. We consider both Hartree-Fock and Brueckner orbitals, and the role of orbital localization. We show how one can pair the orbitals so that the role of the Brueckner orbitals at the CCD level is retained at the p-CCD level. Moreover, we explore ways of extending CCD to accurately describe strongly correlated systems.

  3. Determinants of Chromosome Architecture: Insulator Pairing in cis and in trans

    PubMed Central

    Fujioka, Miki; Mistry, Hemlata; Schedl, Paul; Jaynes, James B.

    2016-01-01

    The chromosomes of multicellular animals are organized into a series of topologically independent looped domains. This domain organization is critical for the proper utilization and propagation of the genetic information encoded by the chromosome. A special set of architectural elements, called boundaries or insulators, are responsible both for subdividing the chromatin into discrete domains and for determining the topological organization of these domains. Central to the architectural functions of insulators are homologous and heterologous insulator:insulator pairing interactions. The former (pairing between copies of the same insulator) dictates the process of homolog alignment and pairing in trans, while the latter (pairing between different insulators) defines the topology of looped domains in cis. To elucidate the principles governing these architectural functions, we use two insulators, Homie and Nhomie, that flank the Drosophila even skipped locus. We show that homologous insulator interactions in trans, between Homie on one homolog and Homie on the other, or between Nhomie on one homolog and Nhomie on the other, mediate transvection. Critically, these homologous insulator:insulator interactions are orientation-dependent. Consistent with a role in the alignment and pairing of homologs, self-pairing in trans is head-to-head. Head-to-head self-interactions in cis have been reported for other fly insulators, suggesting that this is a general principle of self-pairing. Homie and Nhomie not only pair with themselves, but with each other. Heterologous Homie-Nhomie interactions occur in cis, and we show that they serve to delimit a looped chromosomal domain that contains the even skipped transcription unit and its associated enhancers. The topology of this loop is defined by the heterologous pairing properties of Homie and Nhomie. Instead of being head-to-head, which would generate a circular loop, Homie-Nhomie pairing is head-to-tail. Head-to-tail pairing in cis

  4. Determinants of Chromosome Architecture: Insulator Pairing in cis and in trans.

    PubMed

    Fujioka, Miki; Mistry, Hemlata; Schedl, Paul; Jaynes, James B

    2016-02-01

    The chromosomes of multicellular animals are organized into a series of topologically independent looped domains. This domain organization is critical for the proper utilization and propagation of the genetic information encoded by the chromosome. A special set of architectural elements, called boundaries or insulators, are responsible both for subdividing the chromatin into discrete domains and for determining the topological organization of these domains. Central to the architectural functions of insulators are homologous and heterologous insulator:insulator pairing interactions. The former (pairing between copies of the same insulator) dictates the process of homolog alignment and pairing in trans, while the latter (pairing between different insulators) defines the topology of looped domains in cis. To elucidate the principles governing these architectural functions, we use two insulators, Homie and Nhomie, that flank the Drosophila even skipped locus. We show that homologous insulator interactions in trans, between Homie on one homolog and Homie on the other, or between Nhomie on one homolog and Nhomie on the other, mediate transvection. Critically, these homologous insulator:insulator interactions are orientation-dependent. Consistent with a role in the alignment and pairing of homologs, self-pairing in trans is head-to-head. Head-to-head self-interactions in cis have been reported for other fly insulators, suggesting that this is a general principle of self-pairing. Homie and Nhomie not only pair with themselves, but with each other. Heterologous Homie-Nhomie interactions occur in cis, and we show that they serve to delimit a looped chromosomal domain that contains the even skipped transcription unit and its associated enhancers. The topology of this loop is defined by the heterologous pairing properties of Homie and Nhomie. Instead of being head-to-head, which would generate a circular loop, Homie-Nhomie pairing is head-to-tail. Head-to-tail pairing in cis

  5. Complete particle-pair annihilation as a dynamical signature of the spectral singularity

    SciTech Connect

    Li, G.R.; Zhang, X.Z.; Song, Z.

    2014-10-15

    Motivated by the physical relevance of a spectral singularity of interacting many-particle system, we explore the dynamics of two bosons as well as fermions in one-dimensional system with imaginary delta interaction strength. Based on the exact solution, it shows that the two-particle collision leads to amplitude-reduction of the wave function. For fermion pair, the amplitude-reduction depends on the spin configuration of two particles. In both cases, the residual amplitude can vanish when the relative group velocity of two single-particle Gaussian wave packets with equal width reaches the magnitude of the interaction strength, exhibiting complete particle-pair annihilation at the spectral singularity. - Highlights: • We investigate the physical relevance of a spectral singularity. • The two-particle collision leads to amplitude-reduction of the wave function. • There is a singularity spectrum which leads to complete particle-pair annihilation. • Complete particle-pair annihilation can only occur for two distinguishable bosons and singlet fermions. • Pair annihilation provides a detection method of the spectral singularity in the experiment.

  6. Pairing interaction effects in exciton level densities

    SciTech Connect

    Fu, C.Y.

    1989-01-01

    Recent progress in pairing corrections for exciton state-density formulas used in pre-compound nuclear reaction theories is reviewed. These correction factors are, strictly speaking, dependent on the nuclear excitation energy U and the exciton number n. A simple formula for (U,n)-dependent pairing corrections has been derived, based on the BCS pairing equations for constant single-particle spacing, for the exciton state-density formula for one kind of Fermion. It has been shown that the constant-pairing-energy correction used in standard state-density formulas, such U{sub 0} in Gilbert and Cameron, is a limiting case of the general (U,n)-dependent results. Spin cutoff factors with pairing effects were also obtained using the same theory and parameterized into an explicit (U,n)-dependent function, thereby defining a simple exciton level-density formula for applications in quantum mechanical precompound theories. Preliminary results from extending such simple pairing-interaction representations to level-density formulas for two kinds of Fermions are summarized. The results show that the ratios in the exciton level densities in the one-Fermion and two-Fermion approaches vary with both U and n, thus likely leading to differences in calculated compound to precompound ratios. However, the differences in the spin cutoff factors in the two cases are found to be rather small. 12 refs., 3 figs.

  7. Multiple forearm robotic elbow configuration

    SciTech Connect

    Fisher, J.J.

    1990-09-11

    This patent describes a dual forearmed robotic elbow configuration comprises a main arm having a double elbow from which two coplanar forearms depend, two actuators carried in the double elbow for moving the forearms, and separate, independent end effectors, operated by a cable carried from the main arm through the elbow, is attached to the distal end of each forearm. Coiling the cables around the actuators prevents bending or kinking when the forearms are rotated 360 degrees. The end effectors can have similar or different capabilities. Actuator canisters within the dual elbow are modular for rapid replacement or maintenance. Coarse and fine resolver transducers within the actuators provide accurate position referencing information.

  8. Multiple forearm robotic elbow configuration

    SciTech Connect

    Fisher, John J.

    1990-01-01

    A dual forearmed robotic elbow configuration comprises a main arm having a double elbow from which two coplanar forearms depend, two actuators carried in the double elbow for moving the forearms, and separate, independent end effectors, operated by a cable carried from the main arm through the elbow, is attached to the distal end of each forearm. Coiling the cables around the actuators prevents bending or kinking when the forearms are rotated 360 degrees. The end effectors can have similar or different capabilities. Actuator cannisters within the dual elbow are modular for rapid replacement or maintenance. Coarse and fine resolver transducers within the actuators provide accurate position referencing information.

  9. Dimensional regularization in configuration space

    SciTech Connect

    Bollini, C.G. |; Giambiagi, J.J.

    1996-05-01

    Dimensional regularization is introduced in configuration space by Fourier transforming in {nu} dimensions the perturbative momentum space Green functions. For this transformation, the Bochner theorem is used; no extra parameters, such as those of Feynman or Bogoliubov and Shirkov, are needed for convolutions. The regularized causal functions in {ital x} space have {nu}-dependent moderated singularities at the origin. They can be multiplied together and Fourier transformed (Bochner) without divergence problems. The usual ultraviolet divergences appear as poles of the resultant analytic functions of {nu}. Several examples are discussed. {copyright} {ital 1996 The American Physical Society.}

  10. Analytical calculation of spectral phase of grism pairs by the geometrical ray tracing method

    NASA Astrophysics Data System (ADS)

    Rahimi, L.; Askari, A. A.; Saghafifar, H.

    2016-07-01

    The most optimum operation of a grism pair is practically approachable when an analytical expression of its spectral phase is in hand. In this paper, we have employed the accurate geometrical ray tracing method to calculate the analytical phase shift of a grism pair, at transmission and reflection configurations. As shown by the results, for a great variety of complicated configurations, the spectral phase of a grism pair is in the same form of that of a prism pair. The only exception is when the light enters into and exits from different facets of a reflection grism. The analytical result has been used to calculate the second-order dispersions of several examples of grism pairs in various possible configurations. All results are in complete agreement with those from ray tracing method. The result of this work can be very helpful in the optimal design and application of grism pairs at various configurations.

  11. Paired Straight Hearth Furnace

    SciTech Connect

    2009-04-01

    This factsheet describes a research project whose goals are to design, develop, and evaluate the scalability and commercial feasibility of the PSH Paired Straight Hearth Furnace alternative ironmaking process.

  12. Optimal configurations of full-Stokes polarimeter with immunity to both Poisson and Gaussian noise

    NASA Astrophysics Data System (ADS)

    Mu, Tingkui; Chen, Zeyu; Zhang, Chunmin; Liang, Rongguang

    2016-05-01

    For a full-Stokes polarimeter (FSP), generally there are two types of noise, signal-dependent Poisson shot noise and signal-independent additive Gaussian noise, which will degrade the signal-to-noise ratio on the measured Stokes parameters. The relation between the immunity to Gaussian noise and the condition of the measurement matrix has been widely studied in the recent literature. In this paper, we present a new merit function and use it to achieve optimal configurations with immunity to both types of noise. The numerical results show that, for the FSP consisting of variable retarders followed by a fixed polarizer, the four measurement channels immune to these two types of noise can be optimally composed by a 102.2° retardance with a pair of azimuths ±71.9° and a 142.1° retardance with a pair of azimuths ±34.95°, or by two quarter-wave plates with four pairs of azimuths (±70.15°, ±87.84°) and (±42.82°, ±19.14°). The tolerances of the retardances or azimuths in the optimized configurations are evaluated for practical manufacturing, assembling and alignment.

  13. The Memory of MICE: The Configuration Database

    NASA Astrophysics Data System (ADS)

    Wilson, A. J.; Colling, D. J.; Hanlet, P.

    2012-12-01

    The configuration database (CDB) is the memory of the Muon Ionisation Cooling Experiment (MICE). Its principle aim is to store temporal data associated with the running of the experiment; these data are used throughout the life cycle of experiment, from running the experiment through data analysis. The CDB also serves as a moderator in the MICE state machine by defining allowable operating states of subsystems depending on the overall state of MICE and other subsystems. Master and slave CDBs, with multiple mirrored pair raid arrays, have been set up in different parts of the site to increase resilience, as well as off site backups. Access to the CDB is via a Python API, which communicates with a WSDL interface provided by a web-service on the CDB. The priority is to ensure availability of the CDB in the experiment control room. The master CDB is located in the MICE control where it is only used by the running experiment. In the event of the failure of the master, the slave can easily be promoted to master. Read only access to the CDB for data analysis and reconstruction is provided by the slave which has an up to the minute copy of the data. As MICE is a precision experiment which will measure a 10% muon cooling effect with 1% precision, it is imperative that we minimize our systematic errors; the CDB will ensure reproducible and documented running conditions in a highly resilient manner. A description of the hardware and software used in the the MICE CDB will be described in what follows.

  14. Cooper Pair Insulators

    NASA Astrophysics Data System (ADS)

    Valles, James

    One of the recent advances in the field of the Superconductor to Insulator Transition (SIT) has been the discovery and characterization of the Cooper Pair Insulator phase. This bosonic insulator, which consists of localized Cooper pairs, exhibits activated transport and a giant magneto-resistance peak. These features differ markedly from the weakly localized transport that emerges as pairs break at a ``fermionic'' SIT. I will describe how our experiments on films nano-patterned with a nearly triangular array of holes have enabled us to 1) distinguish bosonic insulators from fermionic insulators, 2) show that Cooper pairs, rather than quasi-particles dominate the transport in the Cooper Pair insulator phase, 3) demonstrate that very weak, sub nano-meter thickness inhomogeneities control whether a bosonic or fermionic insulator forms at an SIT and 4) reveal that Cooper pairs disintegrate rather than becoming more tightly bound deep in the localized phase. We have also developed a method, using a magnetic field, to tune flux disorder reversibly in these films. I will present our latest results on the influence of magnetic flux disorder and random gauge fields on phenomena near bosonic SITs. This work was performed in collaboration with M. D. Stewart, Jr., Hung Q. Nguyen, Shawna M. Hollen, Jimmy Joy, Xue Zhang, Gustavo Fernandez, Jeffrey Shainline and Jimmy Xu. It was supported by NSF Grants DMR 1307290 and DMR-0907357.

  15. Software Configuration Management Guidebook

    NASA Technical Reports Server (NTRS)

    1995-01-01

    The growth in cost and importance of software to NASA has caused NASA to address the improvement of software development across the agency. One of the products of this program is a series of guidebooks that define a NASA concept of the assurance processes which are used in software development. The Software Assurance Guidebook, SMAP-GB-A201, issued in September, 1989, provides an overall picture of the concepts and practices of NASA in software assurance. Lower level guidebooks focus on specific activities that fall within the software assurance discipline, and provide more detailed information for the manager and/or practitioner. This is the Software Configuration Management Guidebook which describes software configuration management in a way that is compatible with practices in industry and at NASA Centers. Software configuration management is a key software development process, and is essential for doing software assurance.

  16. N-H stretching excitations in adenosine-thymidine base pairs in solution: pair geometries, infrared line shapes, and ultrafast vibrational dynamics.

    PubMed

    Greve, Christian; Preketes, Nicholas K; Fidder, Henk; Costard, Rene; Koeppe, Benjamin; Heisler, Ismael A; Mukamel, Shaul; Temps, Friedrich; Nibbering, Erik T J; Elsaesser, Thomas

    2013-01-24

    We explore the N-H stretching vibrations of adenosine-thymidine base pairs in chloroform solution with linear and nonlinear infrared spectroscopy. Based on estimates from NMR measurements and ab initio calculations, we conclude that adenosine and thymidine form hydrogen bonded base pairs in Watson-Crick, reverse Watson-Crick, Hoogsteen, and reverse Hoogsteen configurations with similar probability. Steady-state concentration and temperature dependent linear FT-IR studies, including H/D exchange experiments, reveal that these hydrogen-bonded base pairs have complex N-H/N-D stretching spectra with a multitude of spectral components. Nonlinear 2D-IR spectroscopic results, together with IR-pump-IR-probe measurements, as also corroborated by ab initio calculations, reveal that the number of N-H stretching transitions is larger than the total number of N-H stretching modes. This is explained by couplings to other modes, such as an underdamped low-frequency hydrogen-bond mode, and a Fermi resonance with NH(2) bending overtone levels of the adenosine amino-group. Our results demonstrate that modeling based on local N-H stretching vibrations only is not sufficient and call for further refinement of the description of the N-H stretching manifolds of nucleic acid base pairs of adenosine and thymidine, incorporating a multitude of couplings with fingerprint and low-frequency modes. PMID:23234439

  17. Dependence of the lone pair of bismuth on coordination environment and pressure: An ab initio study on Cu{sub 4}Bi{sub 5}S{sub 10} and Bi{sub 2}S{sub 3}

    SciTech Connect

    Arnskov Olsen, Lars; Lopez-Solano, Javier; Garcia, Alberto; Balic-Zunic, Tonci; Makovicky, Emil

    2010-09-15

    DFT calculations have been carried out for Cu{sub 4}Bi{sub 5}S{sub 10} and Bi{sub 2}S{sub 3} to provide an analysis of the relation between electronic structure, lone electron pairs and the local geometry. The effect of pressure is considered in Bi{sub 2}S{sub 3} and the results are compared to published experimental data. Bi{sup 3+} in Cu{sub 4}Bi{sub 5}S{sub 10} is found at both symmetrically and asymmetrically coordinated sites, whereas the coordination environments of Bi in Bi{sub 2}S{sub 3} are asymmetric at room conditions and get more regular with increasing pressure. The charge density maps of the asymmetric sites show the lone pairs as lobes of non-shared charge. These lobes are related to an effective Bi s-Bi p hybridization resulting from coupling to S p orbitals, supporting the modern view of the origin of the stereochemically active lone pair. No effective Bi s-p hybridization is seen for the symmetric site in Cu{sub 4}Bi{sub 5}S{sub 10}, whereas Bi s-p hybridization coexists with a much reduced lone pair in Bi{sub 2}S{sub 3} at high pressure. - Graphical abstract: The article includes charge density maps used to analyze the charge distribution around bismuth in sulfides. This map shows the orientation of a lone electron pair.

  18. Oxygen configurations in silica

    SciTech Connect

    Chelikowsky, James R.; Chadi, D. J.; Binggeli, N.

    2000-07-15

    We propose a transition state for oxygen in silica. This state is produced by the insertion of an oxygen molecule into the Si-O-Si bond, i.e., it consists of producing a Si-O-O-O-Si bond. This state allows molecular oxygen diffusion in silica without breaking the molecular O{sub 2} bond and it is energetically more stable than a peroxy configuration. This configuration may allow for exchange of molecular oxygen with the oxygen in the silica framework. (c) 2000 The American Physical Society.

  19. Checking for odd-triplet pairing using novel superconducting spin valves

    NASA Astrophysics Data System (ADS)

    Lapa, Pavel N.; Khaire, Trupti; Ding, Junjia; Pearson, John E.; Novosad, Valentyn; Hoffmann, Axel; Jiang, J. S.

    An excitation of odd-triplet pairing in a superconducting spin valve can be revealed by measuring the dependence of the superconducting critical temperature Tc with increasing non-collinearity of the magnetizations in adjacent ferromagnetic layers. A standard approach to create such a non-collinear magnetization configuration is to pin one ferromagnetic layers and control the magnetization in another layer by rotating the multilayer in a small magnetic field. Unfortunately, the rotation can modify the vortex current which also strongly affects the critical temperature. To exclude such spurious effects, we designed and fabricated a novel superconducting spin valve which allows us to create non-collinear magnetization configurations without using a sample rotator. The valve's operational principle is based on pinning of a synthetic antiferromagnet (SAF) by exchange coupling it to FeMn layer. The ability to imprint non-collinear magnetization configurations in the spin valve was confirmed using giant magneto resistance (GMR) measurements. The response of the magnetizations on an external magnetic field was simulated based on a coherent rotation model. The dependence of the Nb layer Tc on imprinted magnetization configuration will be presented. Work was supported by The Department of Energy Office of Science, Material Science and Engineering Division.

  20. Pairing, pseudogap and Fermi arcs in cuprates

    SciTech Connect

    Kaminski, Adam; Kondo, Takeshi; Takeuchi, Tsunehiro; Gu, Genda

    2014-04-29

    We use Angle Resolved Photoemission Spectroscopy (ARPES) to study the relationship between the pseudogap, pairing and Fermi arcs in cuprates. High quality data measured over a wide range of dopings reveals a consistent picture of Fermiology and pairing in these materials. The pseudogap is due to an ordered state that competes with superconductivity rather than preformed pairs. Pairing does occur below Tpair ~ 150K and significantly above Tc, but well below T* and the doping dependence of this temperature scale is distinct from that of the pseudogap. The d-wave gap is present below Tpair, and its interplay with strong scattering creates “artificial” Fermi arcs for Tc ≤ T ≤ Tpair. However, above Tpair, the pseudogap exists only at the antipodal region. This leads to presence of real, gapless Fermi arcs close to the node. The length of these arcs remains constant up to T*, where the full Fermi surface is recovered. As a result, we demonstrate that these findings resolve a number of seemingly contradictory scenarios.

  1. NMR Observation of Impurity-Pair Ordering in Weakly Disordered Solid Solutions

    NASA Astrophysics Data System (ADS)

    Ailion, David; Zalar, Bostjan; Lebar, Andrija

    2007-03-01

    Breaking of the average cubic symmetry in Li-doped potassium tantalate (K1-xLixTaO3) was observed with quadrupole-perturbed ^7LiNMR at temperatures (150-400 K) far above the nominal glass transition temperature (80 K). The observed spectrum consists of contributions from both isolated Li ions (i.e., with no nearest neighbor Li) and from Li pairs. The isolated Li ions move among six equivalent off-center sites in a potential having cubic symmetry. These have zero average electric-field gradient and, hence, exhibit no quadrupole splitting. In addition, very low intensity, but well resolved, quadrupole satellites having a temperature-dependent splitting were observed. This splitting indicates that the various Li pair configurations are not all equally probable. These are the first observations of biased Li-ion ordering that persists in the paraelectric phase at temperatures high above the glass phase.

  2. Sonic boom configuration minimization

    NASA Technical Reports Server (NTRS)

    Sohn, Robert A.

    1992-01-01

    The topics covered include the following: the sonic boom 'big picture'; current low boom technology; Mach number impact on gross weight; equal loudness equivalent areas; performance and sizing results; potential configuration modifications; equivalent area matching; and impact of nose bluntness on aerodynamic characteristics.

  3. Space Station Final Configuration

    NASA Technical Reports Server (NTRS)

    1994-01-01

    An artist's conception of what the final configuration of the International Space Station (ISS) will look like when it is fully built and deployed. The ISS is a multidisciplinary laboratory, technology test bed, and observatory that will provide an unprecedented undertaking in scientific, technological, and international experimentation.

  4. Inclusive Services Innovation Configuration

    ERIC Educational Resources Information Center

    Holdheide, Lynn R.; Reschly, Daniel J.

    2011-01-01

    Teacher preparation to deliver inclusive services to students with disabilities is increasingly important because of changes in law and policy emphasizing student access to, and achievement in, the general education curriculum. This innovation configuration identifies the components of inclusive services that should be incorporated in teacher…

  5. Electron Pairing Without Superconductivity

    NASA Astrophysics Data System (ADS)

    Levy, Jeremy; Cheng, G.; Tomczyk, M.; Lu, S.; Veazey, J. P.; Huang, M.; Irvin, P.; Ryu, S.; Lee, H.; Eom, C.-B.; Hellberg, C. S.

    2015-03-01

    Strontium titanate (SrTiO3) exhibits an extremely low carrier density threshold for superconductivity, and possesses a phase diagram similar to high-temperature superconductors--two factors that suggest an unconventional pairing mechanism. We describe transport experiments with nanowire-based quantum dots localized at the interface between SrTiO3 and LaAlO3. Electrostatic gating of the quantum dot reveals a series of two-electron conductance resonances--paired electron states--that bifurcate above a critical magnetic field Bp 1-4 Tesla, an order of magnitude larger than the superconducting critical magnetic field. For B Bp, the resonances exhibit a linear Zeeman-like energy splitting. Electron pairing is stable at temperatures as high as T = 900 mK, far above the superconducting transition temperature (Tc 300 mK). These experiments demonstrate the existence of a robust electronic phase in which electrons pair without forming a superconducting state. Key experimental signatures are captured by an attractive-U Hubbard model that describes real-space electron pairing as a precursor to superconductivity. This work was supported by ARO MURI W911NF-08-1-0317 (J.L.), AFOSR MURI FA9550-10-1-0524 (C.-B.E., J.L.) and FA9550-12-1-0342 (C.-B.E.), and grants from the National Science Foundation DMR-1104191 (J.L.), DMR.

  6. Supernovae in paired galaxies

    NASA Astrophysics Data System (ADS)

    Nazaryan, T. A.; Petrosian, A. R.; Hakobyan, A. A.; Adibekyan, V. Zh.; Kunth, D.; Mamon, G. A.; Turatto, M.; Aramyan, L. S.

    2014-07-01

    We investigate the influence of close neighbor galaxies on the properties of supernovae (SNe) and their host galaxies using 56 SNe located in pairs of galaxies with different levels of star formation (SF) and nuclear activity. The mean distance of type II SNe from nuclei of hosts is greater by about a factor of 2 than that of type Ibc SNe. The distributions and mean distances of SNe are consistent with previous results compiled with the larger sample. For the first time it is shown that SNe Ibc are located in pairs with significantly smaller difference of radial velocities between components than pairs containing SNe Ia and II. We consider this as a result of higher star formation rate (SFR) of these closer systems of galaxies.

  7. Applications of balanced pairs

    NASA Astrophysics Data System (ADS)

    Li, HuanHuan; Wang, JunFu; Huang, ZhaoYong

    2016-05-01

    Let $(\\mathscr{X}$, $\\mathscr{Y})$ be a balanced pair in an abelian category. We first introduce the notion of cotorsion pairs relative to $(\\mathscr{X}$, $\\mathscr{Y})$, and then give some equivalent characterizations when a relative cotorsion pair is hereditary or perfect. We prove that if the $\\mathscr{X}$-resolution dimension of $\\mathscr{Y}$ (resp. $\\mathscr{Y}$-coresolution dimension of $\\mathscr{X}$) is finite, then the bounded homotopy category of $\\mathscr{Y}$ (resp. $\\mathscr{X}$) is contained in that of $\\mathscr{X}$ (resp. $\\mathscr{Y}$). As a consequence, we get that the right $\\mathscr{X}$-singularity category coincides with the left $\\mathscr{Y}$-singularity category if the $\\mathscr{X}$-resolution dimension of $\\mathscr{Y}$ and the $\\mathscr{Y}$-coresolution dimension of $\\mathscr{X}$ are finite.

  8. The TITAN magnet configuration

    SciTech Connect

    Bathke, C.G.

    1987-01-01

    The TITAN study uses copper-alloy ohmic-heating coils (OHC) to startup inductively a reversed-field-pinch (RFP) fusion reactor. The plasma equilibrium is maintained with a pair of superconducting equilibrium-field coils (EFCs). A second pair of copper EFCs provides the necessary trimming of the equilibrium field during plasma transients. A compact toroidal-field-coil (TFC) set is provided by an integrated blanket/coil (IBC). The IBC concept also is applied to the toroidal-field divertor coils. Steady-state operation is achieved with oscillating-field current drive, which oscillates at low amplitude and frequency the OHCs, EFCs, the TFCs, and divertor coils about their steady-state currents. An integrated magnet design, which uses low-field, low technology coils, and the related design basis is given. 18 refs.

  9. The TITAN magnet configuration

    NASA Astrophysics Data System (ADS)

    Bathke, C. G.

    The TITAN study uses copper-alloy ohmic-heating coils (OHC) to start up inductively a reversed-field-pinch (RFP) fusion reactor. The plasma equilibrium is maintained with a pair of superconducting equilibrium-field coils (EFCs). A second pair of copper EFCs provides the necessary trimming of the equilibrium field during plasma transients. A compact toroidal-field-coil (TFC) set is provided by an integrated blanket/coil (IBC). The IBC concept also is applied to the toroidal-field divertor coils. Steady-state operation is achieved with oscillating-field current drive, which oscillates at low amplitude and frequency the OHCs, EFCs, the TFCs, and divertor coils about their steady-state currents. An integrated magnet design, which uses low-field, low technology coils, and the related design basis is given.

  10. Versatile composite amplifier configuration

    NASA Astrophysics Data System (ADS)

    Gift, Stephan J. G.; Maundy, Brent

    2015-06-01

    This paper describes a versatile composite amplifier in which a current feedback amplifier (CFA) drives an operational amplifier (OPA). In the conventional OPA-CFA composite amplifier, an OPA drives a CFA resulting in a composite structure that combines the DC input stability of the OPA and the high speed capability of the CFA. The proposed composite configuration combines different features of the CFA and OPA, specifically the constant bandwidth property of the CFA and the high power and high current output capacity of the OPA. The new circuit is easily implemented in the standard inverting and non-inverting configurations using commercially available devices, and the accuracy and constant bandwidth features were experimentally verified. Local feedback around the associated CFA ensures that the proposed composite amplifier possesses a higher level of bandwidth constancy than a single CFA.

  11. Dynamic Airspace Configuration

    NASA Technical Reports Server (NTRS)

    Bloem, Michael J.

    2014-01-01

    In air traffic management systems, airspace is partitioned into regions in part to distribute the tasks associated with managing air traffic among different systems and people. These regions, as well as the systems and people allocated to each, are changed dynamically so that air traffic can be safely and efficiently managed. It is expected that new air traffic control systems will enable greater flexibility in how airspace is partitioned and how resources are allocated to airspace regions. In this talk, I will begin by providing an overview of some previous work and open questions in Dynamic Airspace Configuration research, which is concerned with how to partition airspace and assign resources to regions of airspace. For example, I will introduce airspace partitioning algorithms based on clustering, integer programming optimization, and computational geometry. I will conclude by discussing the development of a tablet-based tool that is intended to help air traffic controller supervisors configure airspace and controllers in current operations.

  12. Modular small hydro configuration

    NASA Astrophysics Data System (ADS)

    1981-09-01

    Smaller sites (those under 750 kilowatts) which previously were not attractive to develop using equipment intended for application at larger scale sites, were the focal point in the conception of a system which utilizes standard industrial components which are generally available within short procurement times. Such components were integrated into a development scheme for sites having 20 feet to 150 feet of head. The modular small hydro configuration maximizes the use of available components and minimizes modification of existing civil works. A key aspect of the development concept is the use of a vertical turbine multistage pump, used in the reverse mode as a hydraulic turbine. The configuration allows for automated operation and control of the hydroelectric facilities with sufficient flexibility for inclusion of potential hydroelectric sites into dispersed storage and generation (DSG) utility grid systems.

  13. Weighted Configuration Model

    NASA Astrophysics Data System (ADS)

    Serrano, M. Ángeles; Boguñá, Marián

    2005-06-01

    The configuration model is one of the most successful models for generating uncorrelated random networks. We analyze its behavior when the expected degree sequence follows a power law with exponent smaller than two. In this situation, the resulting network can be viewed as a weighted network with non trivial correlations between strength and degree. Our results are tested against large scale numerical simulations, finding excellent agreement.

  14. Aquarius main structure configuration

    NASA Astrophysics Data System (ADS)

    Eremenko, A.

    The Aquarius/SAC-D Observatory is a joint US-Argentine mission to map the salinity at the ocean surface. This information is critical to improving our understanding of two major components of Earth's climate system - the water cycle and ocean circulation. By measuring ocean salinity from space, the Aquarius/SAC-D Mission will provide new insights into how the massive natural exchange of freshwater between the ocean, atmosphere and sea ice influences ocean circulation, weather and climate. Aquarius is the primary instrument on the SAC-D spacecraft. It consists of a Passive Microwave Radiometer to detect the surface emission that is used to obtain salinity and an Active Scatterometer to measure the ocean waves that affect the precision of the salinity measurement. The Aquarius Primary Structure houses instrument electronics, feed assemblies, and supports a deployable boom with a 2.5 m Reflector, and provides the structural interface to the SAC-D Spacecraft. The key challenge for the Aquarius main structure configuration is to satisfy the needs of component accommodations, ensuring that the instrument can meet all operational, pointing, environmental, and launch vehicle requirements. This paper describes the evolution of the Aquarius main structure configuration, the challenges of balancing the conflicting requirements, and the major configuration driving decisions and compromises.

  15. The Configuration Interaction Method

    NASA Astrophysics Data System (ADS)

    Sherrill, C. David; Schaefer, Henry F., III

    Highly correlated configuration interaction (CI) wavefunctions going beyond the simple singles and doubles (CISD) model space can provide very reliable potential energy surfaces, describe electronic excited states, and yield benchmark energies and molecular properties for use in calibrating more approximate methods. Unfortunately, such wavefunctions are also notoriously difficult to evaluate due to their extreme computational demands. The dimension of a full CI procedure, which represents the exact solution of the electronic Schrödinger equation for a fixed one-particle basis set, grows factorially with the number of electrons and basis functions. For very large configuration spaces, the number of CI coupling coefficients becomes prohibitively large to store on disk; these coefficients must be evaluated as needed in a so-called direct CI procedure. Work done by several groups since 1980 has focused on using Slater determinants rather than spin (S2) eigenfunctions because coupling coefficients are easier to compute with the former. We review the fundamentals of the configuration interaction method and discuss various determinant-based CI algorithms. Additionally, we consider some applications of highly correlated CI methods.

  16. Analyzing Visibility Configurations.

    PubMed

    Dachsbacher, C

    2011-04-01

    Many algorithms, such as level of detail rendering and occlusion culling methods, make decisions based on the degree of visibility of an object, but do not analyze the distribution, or structure, of the visible and occluded regions across surfaces. We present an efficient method to classify different visibility configurations and show how this can be used on top of existing methods based on visibility determination. We adapt co-occurrence matrices for visibility analysis and generalize them to operate on clusters of triangular surfaces instead of pixels. We employ machine learning techniques to reliably classify the thus extracted feature vectors. Our method allows perceptually motivated level of detail methods for real-time rendering applications by detecting configurations with expected visual masking. We exemplify the versatility of our method with an analysis of area light visibility configurations in ray tracing and an area-to-area visibility analysis suitable for hierarchical radiosity refinement. Initial results demonstrate the robustness, simplicity, and performance of our method in synthetic scenes, as well as real applications. PMID:20498504

  17. Multi-pair states in electron-positron pair creation

    NASA Astrophysics Data System (ADS)

    Wöllert, Anton; Bauke, Heiko; Keitel, Christoph H.

    2016-09-01

    Ultra strong electromagnetic fields can lead to spontaneous creation of single or multiple electron-positron pairs. A quantum field theoretical treatment of the pair creation process combined with numerical methods provides a description of the fermionic quantum field state, from which all observables of the multiple electron-positron pairs can be inferred. This allows to study the complex multi-particle dynamics of electron-positron pair creation in-depth, including multi-pair statistics as well as momentum distributions and spin. To illustrate the potential benefit of this approach, it is applied to the intermediate regime of pair creation between nonperturbative Schwinger pair creation and perturbative multiphoton pair creation where the creation of multi-pair states becomes nonnegligible but cascades do not yet set in. Furthermore, it is demonstrated how spin and helicity of the created electrons and positrons are affected by the polarization of the counterpropagating laser fields, which induce the creation of electron-positron pairs.

  18. Non stationary pair model in blazar

    NASA Astrophysics Data System (ADS)

    Marcowith, Alexandre; Henri, Gilles; Renaud, Nicolas

    2001-09-01

    This article shortly present an improved version of pair models for X and gamma-ray emission from blazar jets. The radiations are generated through external and synchrotron Inverse Compton mechanisms in the vicinity of a super-massive black hole by an ultra-relativistic electron-positron pair plasma pervading a non-relativistic electron-proton jet (two-flow model). Non stationary solutions are found by solving simultaneously pair creation/annihilation, soft photon absorption and particle acceleration processes along the jet. The power supply necessary to re-accelerate particles is not treated in a self-consistent procedure but parametrised. Pair creation opacity effects can lead to interesting variability effects depending on the X-ray emission regimes. Multi-wavelength observations by INTEGRAL will provide tests for the model, and also for the matter content and variability mechanisms in compact sources.

  19. Distance distribution in configuration-model networks

    NASA Astrophysics Data System (ADS)

    Nitzan, Mor; Katzav, Eytan; Kühn, Reimer; Biham, Ofer

    2016-06-01

    We present analytical results for the distribution of shortest path lengths between random pairs of nodes in configuration model networks. The results, which are based on recursion equations, are shown to be in good agreement with numerical simulations for networks with degenerate, binomial, and power-law degree distributions. The mean, mode, and variance of the distribution of shortest path lengths are also evaluated. These results provide expressions for central measures and dispersion measures of the distribution of shortest path lengths in terms of moments of the degree distribution, illuminating the connection between the two distributions.

  20. Configurational diffusion of coal macromolecules

    SciTech Connect

    Guin, J.A.; Curtis, C.W.; Tarrer, A.R.; Kim, S.; Hwang, D.; Chen, C.C.; Chiou, Z.

    1991-01-01

    The objective of our research was to obtain fundamental information regarding the functional dependence of the diffusion coefficient of coal molecules on the ratio of molecule to pore diameter. That is, the objective of our study was to examine the effect of molecule size and configuration on hindered diffusion of coal macromolecules through as porous medium. To best accomplish this task, we circumvented the complexities of an actual porous catalyst by using a well defined porous matrix with uniform capillaric pores, i.e., a track-etched membrane. In this way, useful information was obtained regarding the relationship of molecular size and configuration on the diffusion rate of coal derived macromolecules through a pore structure with known geometry. Similar studies were performed using a pellet formed of porous alumina, to provide a link between the idealized membranes and the actual complex pore structure of real catalyst extrudates. The fundamental information from our study will be useful toward the tailoring of catalysts to minimize diffusional influences and thereby increase coal conversion and selectivity for desirable products. (VC)

  1. Pairing-induced speedup of nuclear spontaneous fission

    DOE PAGESBeta

    Sadhukhan, Jhilam; Dobaczewski, J.; Nazarewicz, W.; Sheikh, J. A.; Baran, A.

    2014-12-22

    Collective inertia is strongly influenced at the level crossing at which the quantum system changes its microscopic configuration diabatically. Pairing correlations tend to make the large-amplitude nuclear collective motion more adiabatic by reducing the effect of these configuration changes. Competition between pairing and level crossing is thus expected to have a profound impact on spontaneous fission lifetimes. To elucidate the role of nucleonic pairing on spontaneous fission, we study the dynamic fission trajectories of 264Fm and 240Pu using the state-of-the-art self-consistent framework. We employ the superfluid nuclear density functional theory with the Skyrme energy density functional SkM* and a density-dependentmore » pairing interaction. Along with shape variables, proton and neutron pairing correlations are taken as collective coordinates. The collective inertia tensor is calculated within the nonperturbative cranking approximation. The fission paths are obtained by using the least action principle in a four-dimensional collective space of shape and pairing coordinates. Pairing correlations are enhanced along the minimum-action fission path. For the symmetric fission of 264Fm, where the effect of triaxiality on the fission barrier is large, the geometry of the fission pathway in the space of the shape degrees of freedom is weakly impacted by pairing. This is not the case for 240Pu, where pairing fluctuations restore the axial symmetry of the dynamic fission trajectory. The minimum-action fission path is strongly impacted by nucleonic pairing. In some cases, the dynamical coupling between shape and pairing degrees of freedom can lead to a dramatic departure from the static picture. As a result, in the dynamical description of nuclear fission, particle-particle correlations should be considered on the same footing as those associated with shape degrees of freedom.« less

  2. Stereo Pair, Patagonia, Argentina

    NASA Technical Reports Server (NTRS)

    2000-01-01

    This view of northern Patagonia, at Los Menucos, Argentina shows remnants of relatively young volcanoes built upon an eroded plain of much older and contorted volcanic, granitic, and sedimentary rocks. The large purple, brown, and green 'butterfly' pattern is a single volcano that has been deeply eroded. Large holes on the volcano's flanks indicate that they may have collapsed soon after eruption, as fluid molten rock drained out from under its cooled and solidified outer shell. At the upper left, a more recent eruption occurred and produced a small volcanic cone and a long stream of lava, which flowed down a gully. At the top of the image, volcanic intrusions permeated the older rocks resulting in a chain of small dark volcanic peaks. At the top center of the image, two halves of a tan ellipse pattern are offset from each other. This feature is an old igneous intrusion that has been split by a right-lateral fault. The apparent offset is about 6.6 kilometers (4 miles). Color, tonal, and topographic discontinuities reveal the fault trace as it extends across the image to the lower left. However, young unbroken basalt flows show that the fault has not been active recently.

    This cross-eyed stereoscopic image pair was generated using topographic data from the Shuttle Radar Topography Mission, combined with an enhanced Landsat 7satellite color image. The topography data are used to create two differing perspectives of a single image, one perspective for each eye. In doing so, each point in the image is shifted slightly, depending on its elevation. When stereoscopically merged, the result is a vertically exaggerated view of the Earth's surface in its full three dimensions.

    Landsat satellites have provided visible light and infrared images of the Earth continuously since 1972. SRTM topographic data match the 30-meter (99-foot) spatial resolution of most Landsat images and provide a valuable complement for studying the historic and growing Landsat data archive

  3. Stereo Pair: Patagonia, Argentina

    NASA Technical Reports Server (NTRS)

    2000-01-01

    This view of northern Patagonia, near El Cain, Argentina shows complexly eroded volcanic terrain, with basalt mesas, sinkholes, landslide debris, playas, and relatively few integrated drainage channels. Surrounding this site (but also extending far to the east) is a broad plateau capped by basalt, the Meseta de Somuncura. Here, near the western edge of the plateau, erosion has broken through the basalt cap in a variety of ways. On the mesas, water-filled sinkholes (lower left) are most likely the result of the collapse of old lava tubes. Along the edges of the mesas (several locations) the basalt seems to be sliding away from the plateau in a series of slices. Water erosion by overland flow is also evident, particularly in canyons where vegetation blankets the drainage channels (green patterns, bottom of image). However, overland water flow does not extend very far at any location. This entire site drains to local playas, some of which are seen here (blue). While the water can reach the playas and then evaporate, what becomes of the eroded rock debris? Wind might excavate some of the finer eroded debris, but the fate of much of the missing bedrock remains mysterious.

    This cross-eyed stereoscopic image pair was generated using topographic data from the Shuttle Radar Topography Mission, combined with an enhanced Landsat 7 satellite color image. The topography data are used to create two differing perspectives of a single image, one perspective for each eye. In doing so, each point in the image is shifted slightly, depending on its elevation. When stereoscopically merged, the result is a vertically exaggerated view of the Earth's surface in its full three dimensions.

    Landsat satellites have provided visible light and infrared images of the Earth continuously since 1972. SRTM topographic data match the 30-meter (99-foot) spatial resolution of most Landsat images and provide a valuable complement for studying the historic and growing Landsat data archive. The

  4. Stability and size of particle pairs in complex plasmas

    SciTech Connect

    Nosenko, V.; Ivlev, A. V.; Kompaneets, R.; Morfill, G.

    2014-11-15

    Particle pairing in a complex plasma was experimentally studied with the emphasis on pair spatial extent and stability. Micron-size particles were suspended in the (pre)sheath area above the lower electrode in a capacitively coupled radio-frequency discharge in argon. They formed vertical pairs due to the ion wakes created by the flow of ions past particles. We discuss the confinement mechanism for the lower particle, resulting from a combination of the wake field and the field of non-uniform sheath. A model of particle pairs is proposed, which provides good description for the dependence of pair size and stability on experimental parameters.

  5. GSC configuration management plan

    NASA Technical Reports Server (NTRS)

    Withers, B. Edward

    1990-01-01

    The tools and methods used for the configuration management of the artifacts (including software and documentation) associated with the Guidance and Control Software (GCS) project are described. The GCS project is part of a software error studies research program. Three implementations of GCS are being produced in order to study the fundamental characteristics of the software failure process. The Code Management System (CMS) is used to track and retrieve versions of the documentation and software. Application of the CMS for this project is described and the numbering scheme is delineated for the versions of the project artifacts.

  6. Hydrodynamics of foils swimming in a side-by-side configuration

    NASA Astrophysics Data System (ADS)

    Dewey, Peter; Moored, Keith; Quinn, Daniel; Smits, Alexander

    2013-11-01

    Experimental and computational results are presented on a pair of hydrofoils undergoing pitch oscillations in a side-by-side configuration. The time-averaged forces and propulsive efficiency are independently measured for each foil for a range of separation distances and oscillation phase differentials between the two foils. The results are compared to an isolated foil to determine if the presence of a second foil can yield an improvement to the propulsive characteristics of the system. While the exact performance of the side-by-side foils is strongly dependent on the separation distance and phase differential between the foils, it is found that under certain configurations an enhancement in net thrust is achieved by the presence of a second foil. The wake patterns shed by the foils as they oscillate are also examined and compared to the propulsive characteristics. A series of four stable wake configurations are observed that depend on the phase differential between the foils. Supported by the Office of Naval Research under Program Director Dr. Bob Brizzolara, MURI grant number N00014-08-1-0642.

  7. Protected Flux Pairing Qubit

    NASA Astrophysics Data System (ADS)

    Bell, Matthew; Zhang, Wenyuan; Ioffe, Lev; Gershenson, Michael

    2014-03-01

    We have studied the coherent flux tunneling in a qubit containing two submicron Josephson junctions shunted by a superinductor (a dissipationless inductor with an impedance much greater than the resistance quantum). The two low energy quantum states of this device, 0 and 1, are represented by even and odd number of fluxes in the loop, respectively. This device is dual to the charge pairing Josephson rhombi qubit. The spectrum of the device, studied by microwave spectroscopy, reflects the interference between coherent quantum phase slips in the two junctions (the Aharonov-Casher effect). The time domain measurements demonstrate the suppression of the qubit's energy relaxation in the protected regime, which illustrates the potential of this flux pairing device as a protected quantum circuit. Templeton Foundation, NSF, and ARO.

  8. Dynamics and Instabilities of Vortex Pairs

    NASA Astrophysics Data System (ADS)

    Leweke, Thomas; Le Dizès, Stéphane; Williamson, Charles H. K.

    2016-01-01

    This article reviews the characteristics and behavior of counter-rotating and corotating vortex pairs, which are seemingly simple flow configurations yet immensely rich in phenomena. Since the reviews in this journal by Widnall (1975) and Spalart (1998) , who studied the fundamental structure and dynamics of vortices and airplane trailing vortices, respectively, there have been many analytical, computational, and experimental studies of vortex pair flows. We discuss two-dimensional dynamics, including the merging of same-sign vortices and the interaction with the mutually induced strain, as well as three-dimensional displacement and core instabilities resulting from this interaction. Flows subject to combined instabilities are also considered, in particular the impingement of opposite-sign vortices on a ground plane. We emphasize the physical mechanisms responsible for the flow phenomena and clearly present the key results that are useful to the reader for predicting the dynamics and instabilities of parallel vortices.

  9. Configurational Entropy Revisited

    NASA Astrophysics Data System (ADS)

    Lambert, Frank L.

    2007-09-01

    Entropy change is categorized in some prominent general chemistry textbooks as being either positional (configurational) or thermal. In those texts, the accompanying emphasis on the dispersal of matter—independent of energy considerations and thus in discord with kinetic molecular theory—is most troubling. This article shows that the variants of entropy can be treated from a unified viewpoint and argues that to decrease students' confusion about the nature of entropy change these variants of entropy should be merged. Molecular energy dispersal in space is implicit but unfortunately tacit in the cell models of statistical mechanics that develop the configurational entropy change in gas expansion, fluids mixing, or the addition of a non-volatile solute to a solvent. Two factors are necessary for entropy change in chemistry. An increase in thermodynamic entropy is enabled in a process by the motional energy of molecules (that, in chemical reactions, can arise from the energy released from a bond energy change). However, entropy increase is only actualized if the process results in a larger number of arrangements for the system's energy, that is, a final state that involves the most probable distribution for that energy under the new constraints. Positional entropy should be eliminated from general chemistry instruction and, especially benefiting "concrete minded" students, it should be replaced by emphasis on the motional energy of molecules as enabling entropy change.

  10. Mean-field plus various types of pairing models and an exact boson mapping of the standard pairing model

    SciTech Connect

    Pan Feng; Wang Yin; Guan Xin; Jia Lu; Chen Xiangrong; Draayer, J. P.

    2011-06-28

    Exact solutions of Nilsson mean-field with various pairing interactions are reviewed. Some even-odd mass differences and moments of inertia of low-lying states for rare earth and actinide nuclei are calculated for the nearest-orbit pairing approximation as well as for the extended pairing model and compared to available experimental data. An exact boson mapping of the standard pairing Hamiltonian is also reported. Under the mapping, fermion pair operators are mapped exactly onto corresponding bosons. The image of the mapping is a Bose-Hubbard model with orbit-dependent hopping.

  11. SIM Configuration Evolution

    NASA Technical Reports Server (NTRS)

    Aaron, Kim M.

    2000-01-01

    The Space Interferometry Mission (SIM) is a space-based 10 m baseline Michelson interferometer. Planned for launch in 2005 aboard a Delta III launch vehicle, or equivalent, its primary objective is to measure the positions of stars and other celestial objects with an unprecedented accuracy of 4 micro arc seconds. With such an instrument, tremendous advancement can be expected in our understanding of stellar and galactic dynamics. Using triangulation from opposite sides of the orbit around the sun (i.e. by using parallax) one can measure the distance to any observable object in our galaxy. By directly measuring the orbital wobble of nearby stars, the mass and orbit of planets can be determined over a wide range of parameters. The distribution of velocity within nearby galaxies will be measurable. Observations of these and other objects will improve the calibration of distance estimators by more than an order of magnitude. This will permit a much better determination of the Hubble Constant as well as improving our overall understanding of the evolution of the universe. SIM has undergone several transformations, especially over the past year and a half since the start of Phase A. During this phase of a project, it is desirable to perform system-level trade studies, so the substantial evolution of the design that has occurred is quite appropriate. Part of the trade-off process has addressed two major underlying architectures: SIM Classic; and Son of SIM. The difference between these two architectures is related to the overall arrangement of the optical elements and the associated metrology system. Several different configurations have been developed for each architecture. Each configuration is the result of design choices that are influenced by many competing considerations. Some of the more important aspects will be discussed. The Space Interferometry Mission has some extremely challenging goals: millikelvin thermal stability, nanometer stabilization of optics

  12. Ames Optimized TCA Configuration

    NASA Technical Reports Server (NTRS)

    Cliff, Susan E.; Reuther, James J.; Hicks, Raymond M.

    1999-01-01

    Configuration design at Ames was carried out with the SYN87-SB (single block) Euler code using a 193 x 49 x 65 C-H grid. The Euler solver is coupled to the constrained (NPSOL) and the unconstrained (QNMDIF) optimization packages. Since the single block grid is able to model only wing-body configurations, the nacelle/diverter effects were included in the optimization process by SYN87's option to superimpose the nacelle/diverter interference pressures on the wing. These interference pressures were calculated using the AIRPLANE code. AIRPLANE is an Euler solver that uses a unstructured tetrahedral mesh and is capable of computations about arbitrary complete configurations. In addition, the buoyancy effects of the nacelle/diverters were also included in the design process by imposing the pressure field obtained during the design process onto the triangulated surfaces of the nacelle/diverter mesh generated by AIRPLANE. The interference pressures and nacelle buoyancy effects are added to the final forces after each flow field calculation. Full details of the (recently enhanced) ghost nacelle capability are given in a related talk. The pseudo nacelle corrections were greatly improved during this design cycle. During the Ref H and Cycle 1 design activities, the nacelles were only translated and pitched. In the cycle 2 design effort the nacelles can translate vertically, and pitch to accommodate the changes in the lower surface geometry. The diverter heights (between their leading and trailing edges) were modified during design as the shape of the lower wing changed, with the drag of the diverter changing accordingly. Both adjoint and finite difference gradients were used during optimization. The adjoint-based gradients were found to give good direction in the design space for configurations near the starting point, but as the design approached a minimum, the finite difference gradients were found to be more accurate. Use of finite difference gradients was limited by the

  13. Generalized magnetofluid connections in pair plasmas

    SciTech Connect

    Asenjo, Felipe A.; Comisso, Luca; Mahajan, Swadesh M.

    2015-12-15

    We extend the magnetic connection theorem of ideal magnetohydrodynamics to nonideal relativistic pair plasmas. Adopting a generalized Ohm's law, we prove the existence of generalized magnetofluid connections that are preserved by the plasma dynamics. We show that these connections are related to a general antisymmetric tensor that unifies the electromagnetic and fluid fields. The generalized magnetofluid connections set important constraints on the plasma dynamics by forbidding transitions between configurations with different magnetofluid connectivity. An approximated solution is explicitly shown where the corrections due to current inertial effects are found.

  14. Generalized magnetofluid connections in pair plasmas

    NASA Astrophysics Data System (ADS)

    Asenjo, Felipe A.; Comisso, Luca; Mahajan, Swadesh M.

    2015-12-01

    We extend the magnetic connection theorem of ideal magnetohydrodynamics to nonideal relativistic pair plasmas. Adopting a generalized Ohm's law, we prove the existence of generalized magnetofluid connections that are preserved by the plasma dynamics. We show that these connections are related to a general antisymmetric tensor that unifies the electromagnetic and fluid fields. The generalized magnetofluid connections set important constraints on the plasma dynamics by forbidding transitions between configurations with different magnetofluid connectivity. An approximated solution is explicitly shown where the corrections due to current inertial effects are found.

  15. Rashba Splitting of Cooper Pairs

    NASA Astrophysics Data System (ADS)

    Shekhter, R. I.; Entin-Wohlman, O.; Jonson, M.; Aharony, A.

    2016-05-01

    We investigate theoretically the properties of a weak link between two superconducting leads, which has the form of a nonsuperconducting nanowire with a strong Rashba spin-orbit coupling caused by an electric field. In the Coulomb-blockade regime of single-electron tunneling, we find that such a weak link acts as a "spin splitter" of the spin states of Cooper pairs tunneling through the link, to an extent that depends on the direction of the electric field. We show that the Josephson current is sensitive to interference between the resulting two transmission channels, one where the spins of both members of a Cooper pair are preserved and one where they are both flipped. As a result, the current is a periodic function of the strength of the spin-orbit interaction and of the bending angle of the nanowire (when mechanically bent); an identical effect appears due to strain-induced spin-orbit coupling. In contrast, no spin-orbit induced interference effect can influence the current through a single weak link connecting two normal metals.

  16. Rashba Splitting of Cooper Pairs.

    PubMed

    Shekhter, R I; Entin-Wohlman, O; Jonson, M; Aharony, A

    2016-05-27

    We investigate theoretically the properties of a weak link between two superconducting leads, which has the form of a nonsuperconducting nanowire with a strong Rashba spin-orbit coupling caused by an electric field. In the Coulomb-blockade regime of single-electron tunneling, we find that such a weak link acts as a "spin splitter" of the spin states of Cooper pairs tunneling through the link, to an extent that depends on the direction of the electric field. We show that the Josephson current is sensitive to interference between the resulting two transmission channels, one where the spins of both members of a Cooper pair are preserved and one where they are both flipped. As a result, the current is a periodic function of the strength of the spin-orbit interaction and of the bending angle of the nanowire (when mechanically bent); an identical effect appears due to strain-induced spin-orbit coupling. In contrast, no spin-orbit induced interference effect can influence the current through a single weak link connecting two normal metals. PMID:27284669

  17. Competing mechanisms of plasma transport in inhomogeneous configurations with velocity shear: the solar-wind interaction with earth's magnetosphere.

    PubMed

    Faganello, M; Califano, F; Pegoraro, F

    2008-01-11

    Two-dimensional simulations of the Kelvin-Helmholtz instability in an inhomogeneous compressible plasma with a density gradient show that, in a transverse magnetic field configuration, the vortex pairing process and the Rayleigh-Taylor secondary instability compete during the nonlinear evolution of the vortices. Two different regimes exist depending on the value of the density jump across the velocity shear layer. These regimes have different physical signatures that can be crucial for the interpretation of satellite data of the interaction of the solar wind with the magnetospheric plasma. PMID:18232777

  18. Nucleon-pair approximation to the nuclear shell model

    NASA Astrophysics Data System (ADS)

    Zhao, Y. M.; Arima, A.

    2014-12-01

    Atomic nuclei are complex systems of nucleons-protons and neutrons. Nucleons interact with each other via an attractive and short-range force. This feature of the interaction leads to a pattern of dominantly monopole and quadrupole correlations between like particles (i.e., proton-proton and neutron-neutron correlations) in low-lying states of atomic nuclei. As a consequence, among dozens or even hundreds of possible types of nucleon pairs, very few nucleon pairs such as proton and neutron pairs with spin zero, two (in some cases spin four), and occasionally isoscalar spin-aligned proton-neutron pairs, play important roles in low-energy nuclear structure. The nucleon-pair approximation therefore provides us with an efficient truncation scheme of the full shell model configurations which are otherwise too large to handle for medium and heavy nuclei in foreseeable future. Furthermore, the nucleon-pair approximation leads to simple pictures in physics, as the dimension of nucleon-pair subspace is always small. The present paper aims at a sound review of its history, formulation, validity, applications, as well as its link to previous approaches, with the focus on the new developments in the last two decades. The applicability of the nucleon-pair approximation and numerical calculations of low-lying states for realistic atomic nuclei are demonstrated with examples. Applications of pair approximations to other problems are also discussed.

  19. Existence of best proximity pairs and equilibrium pairs

    NASA Astrophysics Data System (ADS)

    Kim, Won Kyu; Lee, Kyoung Hee

    2006-04-01

    In this paper, using the fixed point theorem for Kakutani factorizable multifunctions, we shall prove new existence theorems of best proximity pairs and equilibrium pairs for free abstract economies, which include the previous fixed point theorems and equilibrium existence theorems.

  20. Power converter connection configuration

    DOEpatents

    Beihoff, Bruce C.; Kehl, Dennis L.; Gettelfinger, Lee A.; Kaishian, Steven C.; Phillips, Mark G.; Radosevich, Lawrence D.

    2008-11-11

    EMI shielding is provided for power electronics circuits and the like via a direct-mount reference plane support and shielding structure. The thermal support may receive one or more power electronic circuits. The support may aid in removing heat from the circuits through fluid circulating through the support. The support forms a shield from both external EMI/RFI and from interference generated by operation of the power electronic circuits. Features may be provided to permit and enhance connection of the circuitry to external circuitry, such as improved terminal configurations. Modular units may be assembled that may be coupled to electronic circuitry via plug-in arrangements or through interface with a backplane or similar mounting and interconnecting structures.

  1. Configurable Aperture Space Telescope

    NASA Technical Reports Server (NTRS)

    Ennico, Kimberly; Bendek, Eduardo

    2015-01-01

    In December 2014, we were awarded Center Innovation Fund to evaluate an optical and mechanical concept for a novel implementation of a segmented telescope based on modular, interconnected small sats (satlets). The concept is called CAST, a Configurable Aperture Space Telescope. With a current TRL is 2 we will aim to reach TLR 3 in Sept 2015 by demonstrating a 2x2 mirror system to validate our optical model and error budget, provide straw man mechanical architecture and structural damping analyses, and derive future satlet-based observatory performance requirements. CAST provides an alternative access to visible and/or UV wavelength space telescope with 1-meter or larger aperture for NASA SMD Astrophysics and Planetary Science community after the retirement of HST

  2. Software Configurable Multichannel Transceiver

    NASA Technical Reports Server (NTRS)

    Freudinger, Lawrence C.; Cornelius, Harold; Hickling, Ron; Brooks, Walter

    2009-01-01

    Emerging test instrumentation and test scenarios increasingly require network communication to manage complexity. Adapting wireless communication infrastructure to accommodate challenging testing needs can benefit from reconfigurable radio technology. A fundamental requirement for a software-definable radio system is independence from carrier frequencies, one of the radio components that to date has seen only limited progress toward programmability. This paper overviews an ongoing project to validate the viability of a promising chipset that performs conversion of radio frequency (RF) signals directly into digital data for the wireless receiver and, for the transmitter, converts digital data into RF signals. The Software Configurable Multichannel Transceiver (SCMT) enables four transmitters and four receivers in a single unit the size of a commodity disk drive, programmable for any frequency band between 1 MHz and 6 GHz.

  3. Spin polarization transfer by the radical pair mechanism

    SciTech Connect

    Zarea, Mehdi Ratner, Mark A.; Wasielewski, Michael R.

    2015-08-07

    In a three-site representation, we study a spin polarization transfer from radical pair spins to a nearby electron or nuclear spin. The quantum dynamics of the radical pair spins is governed by a constant exchange interaction between the radical pair spins which have different Zeeman frequencies. Radical pair spins can recombine to the singlet ground state or to lower energy triplet states. It is then shown that the coherent dynamics of the radical pair induces spin polarization on the nearby third spin in the presence of a magnetic field. The spin polarization transfer depends on the difference between Zeeman frequencies, the singlet and triplet recombination rates, and on the exchange and dipole-dipole interactions between the different spins. In particular, the sign of the polarization depends on the exchange coupling between radical pair spins and also on the difference between singlet and triplet recombination rate constants.

  4. Drift in toroidal configurations

    NASA Astrophysics Data System (ADS)

    Evangelidis, E. A.

    1990-12-01

    This paper considers possible mechanisms involved in amplifying the drift velocity of plasma particles, under conditions of toroidal geometry. It is shown that particles constrained to move on an axisymmetric circular spheroidal surface, develop a sinusoidal motion with a characteristic frequency which depends on the energy of the particles, the value of the isoflux surface, and the value of the general momentum. It is also shown that the incorporation of the effects of toroidal geometry in the Lorentz equation produces a nonambipolar charge-dependent particle flux amplified by a factor 2(q/epsilon) squared.

  5. Configurationally exhaustive first-principles study of a quaternary superalloy with a vast configuration space

    NASA Astrophysics Data System (ADS)

    Maisel, S. B.; Höfler, M.; Müller, S.

    2016-07-01

    Exploration of the vast configuration space encountered in a multicomponent alloy is impossible without a suitable engine like the cluster-expansion (CE) method. While a CE ansatz can be formulated for an arbitrary number of components n , the combinatorial explosion of configuration space with increasing n can still be prohibitive. In this paper, we present a configurationally exhaustive study of a four-component nickel-based superalloy. We obtain all ground-state compounds, temperature- and concentration-dependent configurational energies, and micrographs of the γ /γ' microstructure of the γ'-strengthened superalloy Ni-Al-Ta-W. Several phenomena that cannot be studied from the binary building blocks Ni-Al, Ni-W, or Ni-Ta alone are discussed, e.g., the suppression of γ'' formation in Al-Ni-Ta-W, the effect of Ta on the γ' composition, and the tungsten partitioning ratio as a function of both temperature and bulk composition.

  6. Hard Photodisintegration of a Proton Pair

    SciTech Connect

    Pomerantz, Ishay; Bubis, Nathaniel; Allada, Kalyan; Beck, Arie; Beck, Sara; Berman, Barry L.; Boeglin, Werner U.; Camsonne, Alexandre; Canan, Mustafa; Chirapatpimol, Khem; Cisbani, Evaristo; Cusanno, Francesco; de Jager, Cornelis W.; Dutta, Chirajib; Garibaldi, Franco; Geagla, Octavian; Gilman, Ronald; Glister, Jacqueline F.; Higinbotham, Douglas W.; Jiang, Xiaodong; Katramatou, A. T.; Khrosinkova, Elena; Lee, B. W.; LeRose, John J.; Lindgren, Richard A.; McCullough, Emily; Meekins, David G.; Michaels, Robert W.; Moffit, Bryan J.; Petratos, Gerassimos G.; Piasetzky, Eliazer I.; Qian, Xin; Qiang, Yi; Rodriguez, I.; Ron, Guy; Saha, Arun; Sarty, Adam J.; Sawatzky, Bradley D.; Schulte, Elaine C.; Shneor, Ran; Sparveris, NIkolaos; Subedi, Ramesh R.; Sulkosky, Vincent A.; Wang, Y.; Wojtsekhowski, Bogdan B.; Yan, X.; Yao, H.; Zhan, Xiaohui; Zheng, Xiaochao

    2010-01-08

    We present the first study of high energy photodisintegration of proton-pairs through the gamma + 3He -> p+p+n channel. Photon energies from 0.8 to 4.7 GeV were used in kinematics corresponding to a proton pair with high relative momentum and a neutron nearly at rest. An s^{-11} scaling of the cross section was observed, as predicted by the constituent counting rule. The onset of the scaling is at a higher energy and the cross section is significantly lower then for pn pair photodisintegration. For photon energies below the scaling region, the scaled cross section was found to present a strong energy-dependent structure not observed in deuteron photodisintegration.

  7. Hard Photodisintegration of a Proton Pair

    DOE PAGESBeta

    Pomerantz, Ishay; Bubis, Nathaniel; Allada, Kalyan; Beck, Arie; Beck, Sara; Berman, Barry L.; Boeglin, Werner U.; Camsonne, Alexandre; Canan, Mustafa; Chirapatpimol, Khem; et al

    2010-01-08

    We present the first study of high energy photodisintegration of proton-pairs through the gamma + 3He -> p+p+n channel. Photon energies from 0.8 to 4.7 GeV were used in kinematics corresponding to a proton pair with high relative momentum and a neutron nearly at rest. An s^{-11} scaling of the cross section was observed, as predicted by the constituent counting rule. The onset of the scaling is at a higher energy and the cross section is significantly lower then for pn pair photodisintegration. For photon energies below the scaling region, the scaled cross section was found to present a strongmore » energy-dependent structure not observed in deuteron photodisintegration.« less

  8. Reaction of the Co(II)-substrate radical pair catalytic intermediate in coenzyme B12-dependent ethanolamine ammonia-lyase in frozen aqueous solution from 190 to 217 K.

    PubMed

    Zhu, Chen; Warncke, Kurt

    2008-12-15

    The decay kinetics of the aminoethanol-generated Co(II)-substrate radical pair catalytic intermediate in ethanolamine ammonia-lyase from Salmonella typhimurium have been measured on timescales of <10(5) s in frozen aqueous solution from 190 to 217 K. X-band continuous-wave electron paramagnetic resonance (EPR) spectroscopy of the disordered samples has been used to continuously monitor the full radical pair EPR spectrum during progress of the decay after temperature step reaction initiation. The decay to a diamagnetic state is complete and no paramagnetic intermediate states are detected. The decay exhibits three kinetic regimes in the measured temperature range, as follows. i), Low temperature range, 190 < or = T < or = 207 K: the decay is biexponential with constant fast (0.57 +/- 0.04) and slow (0.43 +/- 0.04) phase amplitudes. ii), Transition temperature range, 207 < T < 214 K: the amplitude of the slow phase decreases to zero with a compensatory rise in the fast phase amplitude, with increasing temperature. iii), High temperature range, T > or = 214 K: the decay is monoexponential. The observed first-order rate constants for the monoexponential (k(obs,m)) and the fast phase of the biexponential decay (k(obs,f)) adhere to the same linear relation on an lnk versus T(-1) (Arrhenius) plot. Thus, k(obs,m) and k(obs,f) correspond to the same apparent Arrhenius prefactor and activation energy (logA(app,f) (s(-1)) = 13.0, E(a,app,f) = 15.0 kcal/mol), and therefore, a common decay mechanism. We propose that k(obs,m) and k(obs,f) represent the native, forward reaction of the substrate through the radical rearrangement step. The slow phase rate constant (k(obs,s)) for 190 < or = T < or = 207 K obeys a different linear Arrhenius relation (logA(app,s) (s(-1)) = 13.9, E(a,app,s) = 16.6 kcal/mol). In the transition temperature range, k(obs,s) displays a super-Arrhenius increase with increasing temperature. The change in E(a,app,s) with temperature and the narrow range over

  9. Experiments on a Cooper pair insulator

    NASA Astrophysics Data System (ADS)

    Nguyen, Hung Q.

    At temperatures below 1K, nm thick a-Bi/Sb films, patterned with a nanohoneycomb array of holes, exhibit a novel electronic state consisting of localized Cooper pairs[1]. The Superconductor Insulator Transition (SIT), a phenomenon where the ground state of electrons is tuned from a superconducting to an insulating state, on this patterned homogeneous system shows a clear bosonic nature with activated transport on the insulating side. To date, this homogeneous system is the only one that shows clear evidence for the localization of Cooper pairs. Experiments are described that were performed to further characterize the properties of the localized Cooper pair state and its superconductor to insulator transitions. We show that: (i) The shape of the magnetoresistance (MR) oscillations, which indicate the presence of Cooper pairs in these multiply connected systems, depends on the geometry of the underlying substrates, but not on parameters like the temperature or thickness of the films. The magnetic field tuned SITs of films that are just thick enough to superconduct at zero magnetic field exhibit a common critical sheet resistance separating the superconducting and insulating phases in the range of 3.5 to 5kO. We also report a new type of SIT, an incommensurability driven SIT, which occurs due to the interplay of magnetic field and disorder in the arrangement of the honeycomb array of holes. (ii) The Cooper pair insulator state exhibits a giant positive MR, which peaks at a field estimated to be sufficient to break the pairs. The electrical transport on the low field side of the peak is activated. At the highest fields, it resembles G ˜ log(T), which is consistent with the behavior expected for weakly localized electrons rather than strongly localized Cooper pairs. We discuss this MR peak, compare it to that observed in other amorphous systems and propose a zero temperature phase diagram for these films.

  10. Multiprocessor switch with selective pairing

    SciTech Connect

    Gara, Alan; Gschwind, Michael K; Salapura, Valentina

    2014-03-11

    System, method and computer program product for a multiprocessing system to offer selective pairing of processor cores for increased processing reliability. A selective pairing facility is provided that selectively connects, i.e., pairs, multiple microprocessor or processor cores to provide one highly reliable thread (or thread group). Each paired microprocessor or processor cores that provide one highly reliable thread for high-reliability connect with a system components such as a memory "nest" (or memory hierarchy), an optional system controller, and optional interrupt controller, optional I/O or peripheral devices, etc. The memory nest is attached to a selective pairing facility via a switch or a bus

  11. Electron Pairing, Repulsion, and Correlation: A Simplistic Approach

    ERIC Educational Resources Information Center

    Olsson, Lars-Fride; Kloo, Lars

    2004-01-01

    The interplay between a nucleus and an electron pair is explained through a basic application of an electrostatic and balanced model to determine the correlated and repulsive movements of the electron pair. The stable correlation depends on the positive charge produced by the combined force, which in turn establishes a negative potential energy.

  12. Synthesis of structurally defined scaffolds for bivalent ligand display based on glucuronic acid anilides. The degree of tertiary amide isomerism and folding depends on the configuration of a glycosyl azide.

    PubMed

    Tosin, Manuela; Murphy, Paul V

    2005-05-13

    [structures: see text] Syntheses and structural analyses of bivalent carbohydrates based on anilides of glucuronic acid are described. Secondary anilides predominantly adopted the Z-anti structure; there is also evidence for population of the Z-syn isomer. Bivalent tertiary anilides displayed two signal sets in their NMR spectra, consistent with the presence of (i) a major isomer where both amides have E configurations (EE) and (ii) a minor isomer where one amide is E and the other Z (EZ). Qualitative NOE/ROE spectroscopic studies in solution support the proposal that the anti conformation is preferred for E amides. The crystal structure of one bivalent tertiary anilide showed E-anti and E-syn structural isomers; intramolecular carbohydrate-carbohydrate stacking was observed and mediated by carbonyl-pyranose, azide-azide, and pyranose-aromatic interactions. The EE to EZ isomer ratio, or the degree of folding, for tertiary amides, was greatest for a bivalent compound containing two alpha-glycosyl azide groups; this was enhanced in water, suggesting that hydrophobic interactions are partially but not wholly responsible. Computational methods predicted azide-aromatic (N...H-C interaction) and azide-azide interactions for folded isomers. The close contact of the azide and aromatic protons (N...H-C interaction) was observed upon examination of the close packing in the crystal structure of a related monomer. It is proposed that the alpha-azide group is more optimally aligned, compared to the beta-azide, to facilitate interaction and minimize the surface area of the hydrophobic groups exposed to water, and this leads to the increased folding. The alkylation of bivalent secondary anilides induces a switch from Z to E amide that alters the scaffold orientation. The synthesis of a bivalent mannoside, based on a secondary anilide scaffold, for investigation of mannose-binding receptor cross-linking and lattice formation is described. PMID:15876103

  13. Multiple origins of asteroid pairs

    NASA Astrophysics Data System (ADS)

    Jacobson, Seth A.

    2016-01-01

    Rotationally fissioned asteroids produce unbound asteroid pairs that have very similar heliocentric orbits. Backward integration of their current heliocentric orbits provides an age of closest proximity that can be used to date the rotational fission event. Most asteroid pairs follow a predicted theoretical relationship between the primary spin period and the mass ratio of the two pair members that is a direct consequence of the YORP-induced rotational fission hypothesis. If the progenitor asteroid has strength, asteroid pairs may have higher mass ratios or faster rotating primaries. However, the process of secondary fission leaves the originally predicted trend unaltered. We also describe the characteristics of pair members produced by four alternative routes from a rotational fission event to an asteroid pair. Unlike direct formation from the event itself, the age of closest proximity of these pairs cannot generally be used to date the rotational fission event since considerable time may have passed.

  14. Hubble Space Telescope Configuration

    NASA Technical Reports Server (NTRS)

    1985-01-01

    This image illustrates the overall Hubble Space Telescope (HST) configuration. The HST is the product of a partnership between NASA, European Space Agency Contractors, and the international community of astronomers. It is named after Edwin P. Hubble, an American Astronomer who discovered the expanding nature of the universe and was the first to realize the true nature of galaxies. The purpose of the HST, the most complex and sensitive optical telescope ever made, is to study the cosmos from a low-Earth orbit. By placing the telescope in space, astronomers are able to collect data that is free of the Earth's atmosphere. The HST detects objects 25 times fainter than the dimmest objects seen from Earth and provides astronomers with an observable universe 250 times larger than visible from ground-based telescopes, perhaps as far away as 14 billion light-years. The HST views galaxies, stars, planets, comets, possibly other solar systems, and even unusual phenomena such as quasars, with 10 times the clarity of ground-based telescopes. The major elements of the HST are the Optical Telescope Assembly (OTA), the Support System Module (SSM), and the Scientific Instruments (SI). The HST is approximately the size of a railroad car, with two cylinders joined together and wrapped in a silvery reflective heat shield blanket. Wing-like solar arrays extend horizontally from each side of these cylinders, and dish-shaped anternas extend above and below the body of the telescope. The HST was deployed from the Space Shuttle Discovery (STS-31 mission) into Earth orbit in April 1990. The Marshall Space Flight Center had responsibility for design, development, and construction of the HST. The Perkin-Elmer Corporation, in Danbury, Connecticut, developed the optical system and guidance sensors. The Lockheed Missile and Space Company of Sunnyvale, California produced the protective outer shroud and spacecraft systems, and assembled and tested the finished telescope.

  15. Interaction of a skewed Rankine vortex pair

    NASA Astrophysics Data System (ADS)

    Jayavel, S.; Patil, Pratish P.; Tiwari, Shaligram

    2008-08-01

    An analytical investigation is carried out to study the kinematics of a fluid particle in an interacting field of a skewed pair of fixed Rankine vortices. A general formulation governing the kinematics of a fluid particle has been presented based on the superposition of the velocity field due to each vortex in the pair. The kinematics of a Lagrangian fluid particle is found to be governed by a nonlinear dynamical system. The fixed or stationary points of the dynamical system have been identified analytically and their existence is confirmed by the nature of particle paths in the neighborhood of fixed points. The nature of the particle path and velocity signal is reported for general as well as special configurations of the vortex pair in the presence and absence of an external uniform flow. As a specific application of the proposed problem, superimposition of the translational velocity on a semi-infinite field of longitudinal vortices generated by vortex generators mounted on fin plates of heat exchangers has also been studied.

  16. Primordial nuggets survival and QCD pairing

    NASA Astrophysics Data System (ADS)

    Lugones, G.; Horvath, J. E.

    2004-03-01

    We reexamine the problem of boiling and surface evaporation of quark nuggets in the cosmological quark-hadron transition with the explicit consideration of pairing between quarks in a color-flavor locked state. Assuming that primordial quark nuggets are actually formed, we analyze the consequences of pairing on the rates of boiling and surface evaporation in order to determine whether they could have survived with substantial mass. We find a substantial quenching of the evaporation+boiling processes, which suggests the survival of primordial nuggets for the currently considered range of the pairing gap Δ. Boiling is shown to depend on the competition of an increased stability window and the suppression of the rate, and is not likely to dominate the destruction of the nuggets. If surface evaporation dominates, the fate of the nuggets depends on the features of the initial mass spectrum of the nuggets, their evaporation rate, and the value of the pairing gap, as shown and discussed in the text.

  17. Dynamics of a vortex pair in radial flow

    SciTech Connect

    Bannikova, E. Yu. Kontorovich, V. M. Reznik, G. M.

    2007-10-15

    The problem of vortex pair motion in two-dimensional radial flow is solved. Under certain conditions for flow parameters, the vortex pair can reverse its motion within a bounded region. The vortex-pair translational velocity decreases or increases after passing through the source/sink region, depending on whether the flow is diverging or converging, respectively. The rotational motion of a corotating vortex pair in a quiescent environment transforms into motion along a logarithmic spiral in radial flow. The problem may have applications in astrophysics and geophysics.

  18. Stereo Pair, Honolulu, Oahu

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Honolulu, on the island of Oahu, is a large and growing urban area. This stereoscopic image pair, combining a Landsat image with topography measured by the Shuttle Radar Topography Mission (SRTM), shows how topography controls the urban pattern. This color image can be viewed in 3-D by viewing the left image with the right eye and the right image with the left eye (cross-eyed viewing), or by downloading and printing the image pair, and viewing them with a stereoscope.

    Features of interest in this scene include Diamond Head (an extinct volcano near the bottom of the image), Waikiki Beach (just above Diamond Head), the Punchbowl National Cemetary (another extinct volcano, near the image center), downtown Honolulu and Honolulu harbor (image left-center), and offshore reef patterns. The slopes of the Koolau mountain range are seen in the right half of the image. Clouds commonly hang above ridges and peaks of the Hawaiian Islands, but in this synthesized stereo rendition appear draped directly on the mountains. The clouds are actually about 1000 meters (3300 feet) above sea level.

    This stereoscopic image pair was generated using topographic data from the Shuttle Radar Topography Mission, combined with a Landsat 7 Thematic Mapper image collected at the same time as the SRTM flight. The topography data were used to create two differing perspectives, one for each eye. When stereoscopically merged, the result is a vertically exaggerated view of the Earth's surface in its full three dimensions. The United States Geological Survey's Earth Resources Observations Systems (EROS) Data Center, Sioux Falls, South Dakota, provided the Landsat data.

    The Shuttle Radar Topography Mission (SRTM), launched on February 11, 2000, used the same radar instrument that comprised the Spaceborne Imaging Radar-C/X-Band Synthetic Aperture Radar (SIR-C/X-SAR) that flew twice on the Space Shuttle Endeavour in 1994. The mission was designed to collect three-dimensional measurements of the

  19. Stereo Pair, Pasadena, California

    NASA Technical Reports Server (NTRS)

    2000-01-01

    This stereoscopic image pair is a perspective view that shows the western part of the city of Pasadena, California, looking north toward the San Gabriel Mountains. Portions of the cities of Altadena and La Canada Flintridge are also shown. The cluster of large buildings left of center, at the base of the mountains, is the Jet Propulsion Laboratory. This image shows the power of combining data from different sources to create planning tools to study problems that affect large urban areas. In addition to the well-known earthquake hazards, Southern California is affected by a natural cycle of fire and mudflows. Data shown in this image can be used to predict both how wildfires spread over the terrain and how mudflows are channeled down the canyons.

    The image was created from three datasets: the Shuttle Radar Topography Mission (SRTM) supplied the elevation, U. S. Geological Survey digital aerial photography provided the image detail, and the Landsat Thematic Mapper provided the color. The United States Geological Survey's Earth Resources Observations Systems (EROS) Data Center, Sioux Falls, South Dakota, provided the Landsat data and the aerial photography. The image can be viewed in 3-D by viewing the left image with the right eye and the right image with the left eye (cross-eyed viewing), or by downloading and printing the image pair, and viewing them with a stereoscope.

    The Shuttle Radar Topography Mission (SRTM), launched on February 11, 2000, used the same radar instrument that comprised the Spaceborne Imaging Radar-C/X-Band Synthetic Aperture Radar (SIR-C/X-SAR) that flew twice on the Space Shuttle Endeavour in 1994. The mission was designed to collect three-dimensional measurements of the Earth's surface. To collect the 3-D data, engineers added a 60-meter-long (200-foot) mast, an additional C-band imaging antenna and improved tracking and navigation devices. The mission is a cooperative project between the National Aeronautics and Space Administration

  20. A CA(+) pair adjacent to a sheared GA or AA pair stabilizes size-symmetric RNA internal loops.

    PubMed

    Chen, Gang; Kennedy, Scott D; Turner, Douglas H

    2009-06-23

    RNA internal loops are often important sites for folding and function. Residues in internal loops can have pKa values shifted close to neutral pH because of the local structural environment. A series of RNA internal loops were studied at different pH by UV absorbance versus temperature melting experiments and imino proton nuclear magnetic resonance (NMR). A stabilizing CA pair forms at pH 7 in the CG/AA and CA/AA nearest neighbors when the CA pair is the first noncanonical pair (loop-terminal pair) in 3 x 3 nucleotide and larger size-symmetric internal loops. These CG/AA and CA/AA nearest neighbors, with CA adjacent to a closing Watson-Crick pair, are further stabilized when the pH is lowered from 7 to 5.5. The results are consistent with a significantly larger fraction (from approximately 20% at pH 7 to approximately 90% at pH 5.5) of adenines being protonated at the N1 position to form stabilizing wobble CA+ pairs adjacent to a sheared GA or AA pair. The noncanonical pair adjacent to the GA pair in CG/AA can either stabilize or destabilize the loop, consistent with the sequence-dependent thermodynamics of GA pairs. No significant pH-dependent stabilization is found for most of the other nearest neighbor combinations involving CA pairs (e.g., CA/AG and AG/CA), which is consistent with the formation of various nonwobble pairs observed in different local sequence contexts in crystal and NMR structures. A revised free-energy model, including stabilization by wobble CA+ pairs, is derived for predicting stabilities of medium-size RNA internal loops. PMID:19485416

  1. Frustrated Lewis Pairs.

    PubMed

    Stephan, Douglas W

    2015-08-19

    The articulation of the notion of "frustrated Lewis pairs" (FLPs), which emerged from the discovery that H2 can be reversibly activated by combinations of sterically encumbered Lewis acids and bases, has prompted a great deal of recent activity. Perhaps the most remarkable consequence has been the development of FLP catalysts for the hydrogenation of a range of organic substrates. In the past 9 years, the substrate scope has evolved from bulky polar species to include a wide range of unsaturated organic molecules. In addition, effective stereoselective metal-free hydrogenation catalysts have begun to emerge. The mechanism of this activation of H2 has been explored, and the nature and range of Lewis acid/base combinations capable of effecting such activation have also expanded to include a variety of non-metal species. The reactivity of FLPs with a variety of other small molecules, including olefins, alkynes, and a range of element oxides, has also been developed. Although much of this latter chemistry has uncovered unique stoichiometric transformations, metal-free catalytic hydroamination, CO2 reduction chemistry, and applications in polymerization have also been achieved. The concept is also beginning to find applications in bioinorganic and materials chemistry as well as heterogeneous catalysis. This Perspective highlights many of these developments and discusses the relationship between FLPs and established chemistry. Some of the directions and developments that are likely to emerge from FLP chemistry in the future are also presented. PMID:26214241

  2. Pygmy stars: first pair.

    PubMed

    Zwicky, F

    1966-07-01

    The binary LP 101-15/16 having the proper motion of 1.62 seconds of arc per year has been studied with the prime-focus spectrograph of the 200-inch (508 cm) telescope. Indications are that LP 101-15/16 is the first pair of pygmy stars ever discovered. One of its components, LP 101-16, is probably a blue pygmy star which is at least four magnitudes fainter than the ordinary white dwarfs. Also, two of the Balmer lines in absorption appear to be displaced toward the red by amounts which indicate the existence of an Einstein gravitational red shift corresponding to about 1000 km sec-1. On the other hand LP 101-15 is red and shows an entirely new type of spectrum, which suggests that it may be a first representative of a type of red pygmy star which is 2.5 magnitudes fainter than the M-type dwarf stars of the main sequence. PMID:17730606

  3. Space Station reference configuration update

    NASA Technical Reports Server (NTRS)

    Bonner, Tom F., Jr.

    1985-01-01

    The reference configuration of the NASA Space Station as of November 1985 is presented in a series of diagrams, drawings, graphs, and tables. The configurations for components to be contributed by ESA, Canada, and Japan are included. Brief captions are provided, along with answers to questions raised at the conference.

  4. Radiant-interchange Configuration Factors

    NASA Technical Reports Server (NTRS)

    Hamilton, D C :; Morgan, W R

    1952-01-01

    A study is presented of the geometric configuration factors required for computing radiant heat transfer between opaque surfaces separated by a nonabsorbing medium and various methods of determining the configuration factors are discussed. Configuration-factor solutions available in the literature have been checked and the more complicated equations are presented as families of curves. Cases for point, line, and finite-area sources are worked out over a wide range of geometric proportions. These cases include several new configurations involving rectangles, triangles, and cylinders of finite length which are integrated and tabulated. An analysis is presented, in which configuration factors are employed of the radiant heat transfer to the rotor blades of a typical gas turbine under different conditions of temperature and pressure. (author)

  5. Parametric analysis of ATT configurations.

    NASA Technical Reports Server (NTRS)

    Lange, R. H.

    1972-01-01

    This paper describes the results of a Lockheed parametric analysis of the performance, environmental factors, and economics of an advanced commercial transport envisioned for operation in the post-1985 time period. The design parameters investigated include cruise speeds from Mach 0.85 to Mach 1.0, passenger capacities from 200 to 500, ranges of 2800 to 5500 nautical miles, and noise level criteria. NASA high performance configurations and alternate configurations are operated over domestic and international route structures. Indirect and direct costs and return on investment are determined for approximately 40 candidate aircraft configurations. The candidate configurations are input to an aircraft sizing and performance program which includes a subroutine for noise criteria. Comparisons are made between preferred configurations on the basis of maximum return on investment as a function of payload, range, and design cruise speed.

  6. Controversies in kidney paired donation.

    PubMed

    Gentry, Sommer E; Montgomery, Robert A; Segev, Dorry L

    2012-07-01

    Kidney paired donation represented 10% of living kidney donation in the United States in 2011. National registries around the world and several separate registries in the United States arrange paired donations, although with significant variations in their practices. Concerns about ethical considerations, clinical advisability, and the quantitative effectiveness of these approaches in paired donation result in these variations. For instance, although donor travel can be burdensome and might discourage paired donation, it was nearly universal until convincing analysis showed that living donor kidneys can sustain many hours of cold ischemia time without adverse consequences. Opinions also differ about whether the last donor in a chain of paired donation transplants initiated by a nondirected donor should donate immediately to someone on the deceased donor wait-list (a domino or closed chain) or should be asked to wait some length of time and donate to start another sequence of paired donations later (an open chain); some argue that asking the donor to donate later may be coercive, and others focus on balancing the probability that the waiting donor withdraws versus the number of additional transplants if the chain can be continued. Other controversies in paired donation include simultaneous versus nonsimultaneous donor operations, whether to enroll compatible pairs, and interactions with desensitization protocols. Efforts to expand public awareness of and participation in paired donation are needed to generate more transplant opportunities. PMID:22732046

  7. Lone pairs: an electrostatic viewpoint.

    PubMed

    Kumar, Anmol; Gadre, Shridhar R; Mohan, Neetha; Suresh, Cherumuttathu H

    2014-01-16

    A clear-cut definition of lone pairs has been offered in terms of characteristics of minima in molecular electrostatic potential (MESP). The largest eigenvalue and corresponding eigenvector of the Hessian at the minima are shown to distinguish lone pair regions from the other types of electron localization (such as π bonds). A comparative study of lone pairs as depicted by various other scalar fields such as the Laplacian of electron density and electron localization function is made. Further, an attempt has been made to generalize the definition of lone pairs to the case of cations. PMID:24372481

  8. Methods for Identifying Pair Halos

    NASA Astrophysics Data System (ADS)

    Wells, Brendan; Caputo, Regina; Atwood, William; Ritz, Steven M.

    2016-01-01

    The flux of very high energy gamma rays from active galactic nuclei (AGN) is attenuated via interactions with extragalactic background photons and is converted into e+e- pairs. With non-zero intergalactic magnetic fields, the electrons and positrons will deflect as they propagate and simultaneously lose energy by upscattering cosmic microwave background photons. "Pair halos," the visible consequences of these electromagnetic cascades, are faint and difficult to observe against their AGN counterparts. We investigate three methods for indirectly identifying pair halos, using a two-component approach to model the AGN core/halo image. We estimate each method's sensitivity by utilizing a new, detailed Monte Carlo pair-halo simulation.

  9. Pairs of promoter pairs in a web of transcription.

    PubMed

    Kaplan, Craig D

    2016-08-30

    A new analysis has characterized a fundamental building block of complex transcribed loci. Constellations of core promoters can generally be reduced to pairs of divergent transcription units, where the distance between the pairs of transcription units correlates with constraints on genomic context, which in turn contribute to transcript fate. PMID:27573684

  10. Multiple cell configuration electromagnetic vibration energy harvester

    NASA Astrophysics Data System (ADS)

    Marin, Anthony; Bressers, Scott; Priya, Shashank

    2011-07-01

    This paper reports the design of an electromagnetic vibration energy harvester that doubles the magnitude of output power generated by the prior four-bar magnet configuration. This enhancement was achieved with minor increase in volume by 23% and mass by 30%. The new 'double cell' design utilizes an additional pair of magnets to create a secondary air gap, or cell, for a second coil to vibrate within. To further reduce the dimensions of the device, two coils were attached to one common cantilever beam. These unique features lead to improvements of 66% in output power per unit volume (power density) and 27% increase in output power per unit volume and mass (specific power density), from 0.1 to 0.17 mW cm-3 and 0.41 to 0.51 mW cm-3 kg-1 respectively. Using the ANSYS multiphysics analysis, it was determined that for the double cell harvester, adding one additional pair of magnets created a small magnetic gradient between air gaps of 0.001 T which is insignificant in terms of electromagnetic damping. An analytical model was developed to optimize the magnitude of transformation factor and magnetic field gradient within the gap.

  11. Carrier-type-dependent thermoelectric response of the superconductor-normal-metal-superconductor configuration in a C-shaped polycrystalline BixPb1-xSr2CaCu2Oy sample

    NASA Astrophysics Data System (ADS)

    Gridin, Vladimir V.; Sergeenkov, Sergei A.; Doyle, Richard A.; de Villiers, Patrick; Ausloos, Marcel

    1993-06-01

    Two cuts were inserted at 90° to each other into a ring-shaped sample of BixPb1-xSr2CaCu2Oy. The first cut lay parallel to the applied temperature gradient serving to define a vertical symmetry axis. The second cut lay in the middle of the right wing, perpendicular to the symmetry axis, completely interrupting the passage of supercurrents in this wing. The passage of any normal component of current density was made possible, however, by filling up the cut with a metal that does not show any superconducting properties in the vicinity of 110 K. The carrier type of this normal-metal insert was alternatively chosen to be predominantly holelike (an In insert) or electronlike (Ag paste supporting a 70-Å-thick Au strip). The left wing was left as sintered. Thermal voltages resulting from the same temperature gradient acting on both continuous and normal-metal-filled halves of the sample were detected as a function of temperature around the superconducting transition at about 109 K. Comparing the difference between the thermopowers of the two halves, ΔS, we calculate the Fermi energy of our superconducting material. ΔS was found to be positive and negative for the h- and e-type carriers of the normal-metal insert, respectively. Relating ΔS to the transport entropy, Δσ, via the carrier charge, q, by ΔS=Δσ/q, we also account for the carrier-sign dependence of ΔS.

  12. System size and energy dependence of jet-induced hadron pair correlation shapes in Cu+Cu and Au+Au collisions at square root sNN=200 and 62.4 GeV.

    PubMed

    Adare, A; Adler, S S; Afanasiev, S; Aidala, C; Ajitanand, N N; Akiba, Y; Al-Bataineh, H; Alexander, J; Al-Jamel, A; Aoki, K; Aphecetche, L; Armendariz, R; Aronson, S H; Asai, J; Atomssa, E T; Averbeck, R; Awes, T C; Azmoun, B; Babintsev, V; Baksay, G; Baksay, L; Baldisseri, A; Barish, K N; Barnes, P D; Bassalleck, B; Bathe, S; Batsouli, S; Baublis, V; Bauer, F; Bazilevsky, A; Belikov, S; Bennett, R; Berdnikov, Y; Bickley, A A; Bjorndal, M T; Boissevain, J G; Borel, H; Boyle, K; Brooks, M L; Brown, D S; Bruner, N; Bucher, D; Buesching, H; Bumazhnov, V; Bunce, G; Burward-Hoy, J M; Butsyk, S; Camard, X; Campbell, S; Chai, J-S; Chand, P; Chang, B S; Chang, W C; Charvet, J-L; Chernichenko, S; Chiba, J; Chi, C Y; Chiu, M; Choi, I J; Choudhury, R K; Chujo, T; Chung, P; Churyn, A; Cianciolo, V; Cleven, C R; Cobigo, Y; Cole, B A; Comets, M P; Constantin, P; Csanád, M; Csörgo, T; Cussonneau, J P; Dahms, T; Das, K; David, G; Deák, F; Deaton, M B; Dehmelt, K; Delagrange, H; Denisov, A; d'Enterria, D; Deshpande, A; Desmond, E J; Devismes, A; Dietzsch, O; Dion, A; Donadelli, M; Drachenberg, J L; Drapier, O; Drees, A; Dubey, A K; Durum, A; Dutta, D; Dzhordzhadze, V; Efremenko, Y V; Egdemir, J; Ellinghaus, F; Emam, W S; Enokizono, A; En'yo, H; Espagnon, B; Esumi, S; Eyser, K O; Fields, D E; Finck, C; Finger, M; Finger, M; Fleuret, F; Fokin, S L; Forestier, B; Fox, B D; Fraenkel, Z; Frantz, J E; Franz, A; Frawley, A D; Fujiwara, K; Fukao, Y; Fung, S-Y; Fusayasu, T; Gadrat, S; Garishvili, I; Gastineau, F; Germain, M; Glenn, A; Gong, H; Gonin, M; Gosset, J; Goto, Y; Granier de Cassagnac, R; Grau, N; Greene, S V; Grosse Perdekamp, M; Gunji, T; Gustafsson, H-A; Hachiya, T; Hadj Henni, A; Haegemann, C; Haggerty, J S; Hagiwara, M N; Hamagaki, H; Han, R; Hansen, A G; Harada, H; Hartouni, E P; Haruna, K; Harvey, M; Haslum, E; Hasuko, K; Hayano, R; Heffner, M; Hemmick, T K; Hester, T; Heuser, J M; He, X; Hidas, P; Hiejima, H; Hill, J C; Hobbs, R; Hohlmann, M; Holmes, M; Holzmann, W; Homma, K; Hong, B; Hoover, A; Horaguchi, T; Hornback, D; Hur, M G; Ichihara, T; Ikonnikov, V V; Imai, K; Inaba, M; Inoue, Y; Inuzuka, M; Isenhower, D; Isenhower, L; Ishihara, M; Isobe, T; Issah, M; Isupov, A; Jacak, B V; Jia, J; Jin, J; Jinnouchi, O; Johnson, B M; Johnson, S C; Joo, K S; Jouan, D; Kajihara, F; Kametani, S; Kamihara, N; Kamin, J; Kaneta, M; Kang, J H; Kanou, H; Katou, K; Kawabata, T; Kawagishi, T; Kawall, D; Kazantsev, A V; Kelly, S; Khachaturov, B; Khanzadeev, A; Kikuchi, J; Kim, D H; Kim, D J; Kim, E; Kim, G-B; Kim, H J; Kim, Y-S; Kinney, E; Kiss, A; Kistenev, E; Kiyomichi, A; Klay, J; Klein-Boesing, C; Kobayashi, H; Kochenda, L; Kochetkov, V; Kohara, R; Komkov, B; Konno, M; Kotchetkov, D; Kozlov, A; Král, A; Kravitz, A; Kroon, P J; Kubart, J; Kuberg, C H; Kunde, G J; Kurihara, N; Kurita, K; Kweon, M J; Kwon, Y; Kyle, G S; Lacey, R; Lai, Y-S; Lajoie, J G; Lebedev, A; Le Bornec, Y; Leckey, S; Lee, D M; Lee, M K; Lee, T; Leitch, M J; Leite, M A L; Lenzi, B; Lim, H; Liska, T; Litvinenko, A; Liu, M X; Li, X; Li, X H; Love, B; Lynch, D; Maguire, C F; Makdisi, Y I; Malakhov, A; Malik, M D; Manko, V I; Mao, Y; Martinez, G; Masek, L; Masui, H; Matathias, F; Matsumoto, T; McCain, M C; McCumber, M; McGaughey, P L; Miake, Y; Mikes, P; Miki, K; Miller, T E; Milov, A; Mioduszewski, S; Mishra, G C; Mishra, M; Mitchell, J T; Mitrovski, M; Mohanty, A K; Morreale, A; Morrison, D P; Moss, J M; Moukhanova, T V; Mukhopadhyay, D; Muniruzzaman, M; Murata, J; Nagamiya, S; Nagata, Y; Nagle, J L; Naglis, M; Nakagawa, I; Nakamiya, Y; Nakamura, T; Nakano, K; Newby, J; Nguyen, M; Norman, B E; Nyanin, A S; Nystrand, J; O'Brien, E; Oda, S X; Ogilvie, C A; Ohnishi, H; Ojha, I D; Okada, H; Okada, K; Oka, M; Omiwade, O O; Oskarsson, A; Otterlund, I; Ouchida, M; Oyama, K; Ozawa, K; Pak, R; Pal, D; Palounek, A P T; Pantuev, V; Papavassiliou, V; Park, J; Park, W J; Pate, S F; Pei, H; Penev, V; Peng, J-C; Pereira, H; Peresedov, V; Peressounko, D Yu; Pierson, A; Pinkenburg, C; Pisani, R P; Purschke, M L; Purwar, A K; Qualls, J M; Qu, H; Rak, J; Rakotozafindrabe, A; Ravinovich, I; Read, K F; Rembeczki, S; Reuter, M; Reygers, K; Riabov, V; Riabov, Y; Roche, G; Romana, A; Rosati, M; Rosendahl, S S E; Rosnet, P; Rukoyatkin, P; Rykov, V L; Ryu, S S; Sahlmueller, B; Saito, N; Sakaguchi, T; Sakai, S; Sakata, H; Samsonov, V; Sanfratello, L; Santo, R; Sato, H D; Sato, S; Sawada, S; Schutz, Y; Seele, J; Seidl, R; Semenov, V; Seto, R; Sharma, D; Shea, T K; Shein, I; Shevel, A; Shibata, T-A; Shigaki, K; Shimomura, M; Shohjoh, T; Shoji, K; Sickles, A; Silva, C L; Silvermyr, D; Silvestre, C; Sim, K S; Singh, C P; Singh, V; Skutnik, S; Slunecka, M; Smith, W C; Soldatov, A; Soltz, R A; Sondheim, W E; Sorensen, S P; Sourikova, I V; Staley, F; Stankus, P W; Stenlund, E; Stepanov, M; Ster, A; Stoll, S P; Sugitate, T; Suire, C; Sullivan, J P; Sziklai, J; Tabaru, T; Takagi, S; Takagui, E M; Taketani, A; Tanaka, K H; Tanaka, Y; Tanida, K; Tannenbaum, M J; Taranenko, A; Tarján, P; Thomas, T L; Togawa, M; Toia, A; Tojo, J; Tomásek, L; Torii, H; Towell, R S; Tram, V-N; Tserruya, I; Tsuchimoto, Y; Tuli, S K; Tydesjö, H; Tyurin, N; Uam, T J; Vale, C; Valle, H; vanHecke, H W; Velkovska, J; Velkovsky, M; Vertesi, R; Veszprémi, V; Vinogradov, A A; Virius, M; Volkov, M A; Vrba, V; Vznuzdaev, E; Wagner, M; Walker, D; Wang, X R; Watanabe, Y; Wessels, J; White, S N; Willis, N; Winter, D; Wohn, F K; Woody, C L; Wysocki, M; Xie, W; Yamaguchi, Y L; Yanovich, A; Yasin, Z; Ying, J; Yokkaichi, S; Young, G R; Younus, I; Yushmanov, I E; Zajc, W A; Zaudtke, O; Zhang, C; Zhou, S; Zimányi, J; Zolin, L; Zong, X

    2007-06-01

    We present azimuthal angle correlations of intermediate transverse momentum (1-4 GeV/c) hadrons from dijets in Cu+Cu and Au+Au collisions at square root sNN=62.4 and 200 GeV. The away-side dijet induced azimuthal correlation is broadened, non-Gaussian, and peaked away from Delta phi=pi in central and semicentral collisions in all the systems. The broadening and peak location are found to depend upon the number of participants in the collision, but not on the collision energy or beam nuclei. These results are consistent with sound or shock wave models, but pose challenges to Cherenkov gluon radiation models. PMID:17677902

  13. System Size and Energy Dependence of Jet-Induced Hadron Pair Correlation Shapes in Cu+Cu and Au+Au Collisions at {radical}(s{sub NN})=200 and 62.4 GeV

    SciTech Connect

    Adare, A.; Bickley, A. A.; Ellinghaus, F.; Kinney, E.; Seele, J.; Wysocki, M.; Adler, S. S.; Aronson, S. H.; Azmoun, B.; David, G.; Desmond, E. J.; Franz, A.; Haggerty, J. S.; Harvey, M.; Johnson, B. M.; Kistenev, E.; Kroon, P. J.; Lynch, D.; Makdisi, Y. I.; Mioduszewski, S.

    2007-06-08

    We present azimuthal angle correlations of intermediate transverse momentum (1-4 GeV/c) hadrons from dijets in Cu+Cu and Au+Au collisions at {radical}(s{sub NN})=62.4 and 200 GeV. The away-side dijet induced azimuthal correlation is broadened, non-Gaussian, and peaked away from {delta}{phi}={pi} in central and semicentral collisions in all the systems. The broadening and peak location are found to depend upon the number of participants in the collision, but not on the collision energy or beam nuclei. These results are consistent with sound or shock wave models, but pose challenges to Cherenkov gluon radiation models.

  14. Viscous Design of TCA Configuration

    NASA Technical Reports Server (NTRS)

    Krist, Steven E.; Bauer, Steven X. S.; Campbell, Richard L.

    1999-01-01

    The goal in this effort is to redesign the baseline TCA configuration for improved performance at both supersonic and transonic cruise. Viscous analyses are conducted with OVERFLOW, a Navier-Stokes code for overset grids, using PEGSUS to compute the interpolations between overset grids. Viscous designs are conducted with OVERDISC, a script which couples OVERFLOW with the Constrained Direct Iterative Surface Curvature (CDISC) inverse design method. The successful execution of any computational fluid dynamics (CFD) based aerodynamic design method for complex configurations requires an efficient method for regenerating the computational grids to account for modifications to the configuration shape. The first section of this presentation deals with the automated regridding procedure used to generate overset grids for the fuselage/wing/diverter/nacelle configurations analysed in this effort. The second section outlines the procedures utilized to conduct OVERDISC inverse designs. The third section briefly covers the work conducted by Dick Campbell, in which a dual-point design at Mach 2.4 and 0.9 was attempted using OVERDISC; the initial configuration from which this design effort was started is an early version of the optimized shape for the TCA configuration developed by the Boeing Commercial Airplane Group (BCAG), which eventually evolved into the NCV design. The final section presents results from application of the Natural Flow Wing design philosophy to the TCA configuration.

  15. Chemical Nonlinearities and Radical Pair Lifetime Estimation

    NASA Astrophysics Data System (ADS)

    Robinson, Gregory

    2013-03-01

    Much attention has recently developed around chemical reactions that depend on applied static magnetic fields as weak as earth's. This interest is largely motivated by experiments that implicate the role of spin-selective radical pair recombination in biological magnetic sensing. Existing literature uses a straightforward calculation to approximate the expected lifetime of coherent radical pairs as a function of the minimum RF amplitude that is observed to disrupt magnetic navigation, apparently by decohering the radical pair via electronic Zeeman excitations. But we show that chemical nonlinearities can preclude direct computation of coherent pair lifetime without considering the cellular signalling mechanisms involved, and discuss whether it can explain the surprising fragility of some animals' compass sense. In particular, we demonstrate that an autocatalytic cycle can introduce threshold effects on the disruption sensitivity to applied oscillatory magnetic fields. We will show examples in the mean-field limit and consider the consequences of noise and fluctuations in the Freidlin-Wentzell picture of perturbed dynamical systems.

  16. Pairing, pseudogap and Fermi arcs in cuprates

    DOE PAGESBeta

    Kaminski, Adam; Kondo, Takeshi; Takeuchi, Tsunehiro; Gu, Genda

    2014-04-29

    We use Angle Resolved Photoemission Spectroscopy (ARPES) to study the relationship between the pseudogap, pairing and Fermi arcs in cuprates. High quality data measured over a wide range of dopings reveals a consistent picture of Fermiology and pairing in these materials. The pseudogap is due to an ordered state that competes with superconductivity rather than preformed pairs. Pairing does occur below Tpair ~ 150K and significantly above Tc, but well below T* and the doping dependence of this temperature scale is distinct from that of the pseudogap. The d-wave gap is present below Tpair, and its interplay with strong scatteringmore » creates “artificial” Fermi arcs for Tc ≤ T ≤ Tpair. However, above Tpair, the pseudogap exists only at the antipodal region. This leads to presence of real, gapless Fermi arcs close to the node. The length of these arcs remains constant up to T*, where the full Fermi surface is recovered. As a result, we demonstrate that these findings resolve a number of seemingly contradictory scenarios.« less

  17. Pair Programming: Issues and Challenges

    NASA Astrophysics Data System (ADS)

    Lui, Kim Man; Barnes, Kyle Atikus; Chan, Keith C. C.

    Pair programming, two programmers collaborating on design, coding and testing, has been a controversial focus of interest as Agile Software Development continues to grow in popularity both among academics and practitioners. As a result of the many investigations into the effectiveness of pair programming in the last decade, many have come to realize that there are many hard-to-control factors in pair programming in particular and in empirical software engineering in general. Because of these factors, the results of many pair programming experiments are not easy to replicate and the relative productivity of pair and solo programming are still not fully understood. So far, it has been concluded by previous studies that pair programming productivity can vary, but few have shown how and why this is the case. In this chapter, we discuss a number of challenging factors in the adoption of pair programming and present an approach to deal with them. We discuss how different factors may affect our experimental outcomes and improve experiment design to reveal how and why pair programming can be made productive, at least, in controlled situations.

  18. Assessment Strategies for Pair Programming

    ERIC Educational Resources Information Center

    Hahn, Jan Hendrik; Mentz, Elsa; Meyer, Lukas

    2009-01-01

    Although pair programming has proved its usefulness in teaching and learning programming skills, it is difficult to assess the individual roles and abilities of students whilst programming in pairs. (Note that within this manuscript, the term assessment refers to evaluating individual student performance.) Assessing only the outcomes of a pair…

  19. Device configuration-management system

    SciTech Connect

    Nowell, D.M.

    1981-01-01

    The Fusion Chamber System, a major component of the Magnetic Fusion Test Facility, contains several hundred devices which report status to the Supervisory Control and Diagnostic System for control and monitoring purposes. To manage the large number of diversity of devices represented, a device configuration management system was required and developed. Key components of this software tool include the MFTF Data Base; a configuration editor; and a tree structure defining the relationships between the subsystem devices. This paper will describe how the configuration system easily accomodates recognizing new devices, restructuring existing devices, and modifying device profile information.

  20. Base pair analogs in the gas phase.

    PubMed

    Roscioli, Joseph R; Pratt, David W

    2003-11-25

    A rotationally resolved electronic spectrum of the gas-phase dimer 2-aminopyridine.2-pyridone, an analog of the adenine.thymine base pair, has been observed and assigned, leading to precise measurements of its moments of inertia and preliminary determinations of its structure. A Watson-Crick configuration results, with N...H-N and N-H...O hydrogen bond lengths of 2.898 and 2.810 A, respectively. The two bases are found not to be coplanar; a dihedral angle of 6.1 degrees between the base planes is also estimated from the measured moments of inertia. Possible chemical and biological implications of these results are discussed. PMID:14612563

  1. Supernovae in paired host galaxies

    NASA Astrophysics Data System (ADS)

    Nazaryan, T. A.; Petrosian, A. R.; Hakobyan, A. A.; Adibekyan, V. Zh.; Kunth, D.; Mamon, G. A.; Turatto, M.; Aramyan, L. S.

    2014-12-01

    We investigate the influence of close neighbor galaxies on the properties of supernovae (SNe) and their host galaxies using 56 SNe located in pairs of galaxies with different levels of star formation (SF) and nuclear activity. The mean distance of type II SNe from nuclei of hosts is greater by about a factor of 2 than that of type Ibc SNe. For the first time it is shown that SNe Ibc are located in pairs with significantly smaller difference of radial velocities between components than pairs containing SNe Ia and II. We consider this as a result of higher star formation rate (SFR) of these closer systems of galaxies. SN types are not correlated with the luminosity ratio of host and neighbor galaxies in pairs. The orientation of SNe with respect to the preferred direction toward neighbor galaxy is found to be isotropic and independent of kinematical properties of the galaxy pair.

  2. Property (RD) for Hecke Pairs

    NASA Astrophysics Data System (ADS)

    Shirbisheh, Vahid

    2012-06-01

    As the first step towards developing noncommutative geometry over Hecke C ∗-algebras, we study property (RD) (Rapid Decay) for Hecke pairs. When the subgroup H in a Hecke pair ( G, H) is finite, we show that the Hecke pair ( G, H) has (RD) if and only if G has (RD). This provides us with a family of examples of Hecke pairs with property (RD). We also adapt Paul Jolissant's works in Jolissaint (J K-Theory 2:723-735, 1989; Trans Amer Math Soc 317(1):167-196, 1990) to the setting of Hecke C ∗-algebras and show that when a Hecke pair ( G, H) has property (RD), the algebra of rapidly decreasing functions on the set of double cosets is closed under holomorphic functional calculus of the associated (reduced) Hecke C ∗-algebra. Hence they have the same K 0-groups.

  3. Base pairing and base mis-pairing in nucleic acids

    NASA Technical Reports Server (NTRS)

    Wang, A. H. J.; Rich, A.

    1986-01-01

    In recent years we have learned that DNA is conformationally active. It can exist in a number of different stable conformations including both right-handed and left-handed forms. Using single crystal X-ray diffraction analysis we are able to discover not only additional conformations of the nucleic acids but also different types of hydrogen bonded base-base interactions. Although Watson-Crick base pairings are the predominant type of interaction in double helical DNA, they are not the only types. Recently, we have been able to examine mismatching of guanine-thymine base pairs in left-handed Z-DNA at atomic resolution (1A). A minimum amount of distortion of the sugar phosphate backbone is found in the G x T pairing in which the bases are held together by two hydrogen bonds in the wobble pairing interaction. Because of the high resolution of the analysis we can visualize water molecules which fill in to accommodate the other hydrogen bonding positions in the bases which are not used in the base-base interactions. Studies on other DNA oligomers have revealed that other types of non-Watson-Crick hydrogen bonding interactions can occur. In the structure of a DNA octamer with the sequence d(GCGTACGC) complexed to an antibiotic triostin A, it was found that the two central AT base pairs are held together by Hoogsteen rather than Watson-Crick base pairs. Similarly, the G x C base pairs at the ends are also Hoogsteen rather than Watson-Crick pairing. Hoogsteen base pairs make a modified helix which is distinct from the Watson-Crick double helix.

  4. Regimes of Pulsar Pair Formation and Particle Energetics

    NASA Technical Reports Server (NTRS)

    Harding, Alice K.; Muslimov, Alexander G.; Zhang, Bing; White, Nicholas E. (Technical Monitor)

    2002-01-01

    We investigate the conditions required for the production of electron-positron pairs above a pulsar polar cap (PC) and the influence of pair production on the energetics of the primary particle acceleration. Assuming space-charge limited flow acceleration including the inertial frame-dragging effect, we allow both one-photon and two-photon pair production by either curvature radiation (CR) photons or photons resulting from inverse-Compton scattering of thermal photons from the PC by primary electrons. We find that,, while only the younger pulsars can produce pairs through CR, nearly all known radio pulsars are capable of producing pairs through non-resonant inverse-Compton scatterings. The effect of the neutron star equations of state on the pair death lines is explored. We show that pair production is facilitated in more compact stars and more a massive stars. Therefore accretion of mass by pulsars in binary systems may allow pair production in most of the millisecond purser population. We also find that two-photon pair production may be important in millisecond pursers if their surface temperatures are above approx. or equal to three million degrees K. Pursers that produce pairs through CRT wilt have their primary acceleration limited by the effect of screening of the electric field. In this regime, the high-energy luminosity should follow a L(sub HE) proportional to dot-E(sup 1/2, sub rot) dependence. The acceleration voltage drop in pursers that produce pairs only through inverse-Compton emission will not be limited by electric field screening. In this regime, the high-energy luminosity should follow a L(sub HE) proportional to dot-E(sub rot) dependence. Thus, older pursers will have significantly lower gamma-ray luminosity.

  5. ATLAS software configuration and build tool optimisation

    NASA Astrophysics Data System (ADS)

    Rybkin, Grigory; Atlas Collaboration

    2014-06-01

    ATLAS software code base is over 6 million lines organised in about 2000 packages. It makes use of some 100 external software packages, is developed by more than 400 developers and used by more than 2500 physicists from over 200 universities and laboratories in 6 continents. To meet the challenge of configuration and building of this software, the Configuration Management Tool (CMT) is used. CMT expects each package to describe its build targets, build and environment setup parameters, dependencies on other packages in a text file called requirements, and each project (group of packages) to describe its policies and dependencies on other projects in a text project file. Based on the effective set of configuration parameters read from the requirements files of dependent packages and project files, CMT commands build the packages, generate the environment for their use, or query the packages. The main focus was on build time performance that was optimised within several approaches: reduction of the number of reads of requirements files that are now read once per package by a CMT build command that generates cached requirements files for subsequent CMT build commands; introduction of more fine-grained build parallelism at package task level, i.e., dependent applications and libraries are compiled in parallel; code optimisation of CMT commands used for build; introduction of package level build parallelism, i. e., parallelise the build of independent packages. By default, CMT launches NUMBER-OF-PROCESSORS build commands in parallel. The other focus was on CMT commands optimisation in general that made them approximately 2 times faster. CMT can generate a cached requirements file for the environment setup command, which is especially useful for deployment on distributed file systems like AFS or CERN VMFS. The use of parallelism, caching and code optimisation significantly-by several times-reduced software build time, environment setup time, increased the efficiency of

  6. Heterospecific pairing and hybridization between Nasutitermes corniger and N. ephratae

    NASA Astrophysics Data System (ADS)

    Hartke, Tamara R.; Rosengaus, Rebeca B.

    2011-09-01

    The sympatric neotropical termites Nasutitermes corniger and Nasutitermes ephratae are clearly distinguishable based on morphology, nest architecture, defensive secretion composition, and molecular markers. However, given the extensive ecological, geographical, and behavioral overlap of these closely related species, the potential for interbreeding may exist. To explore this possibility, heterospecific pairs were formed experimentally to examine courtship and colony-establishment behaviors, and reproductive potential. Courtship and nest construction behavior occurred in heterospecific pairs in a similar manner to that of conspecific pairs. Survival of pairs depended upon the species of the female partner. N. ephratae females paired with N. corniger males produced as many offspring as conspecific pairs. N. corniger females mated to N. ephratae males, however, produced significantly fewer offspring at 60 days post-establishment than the reciprocal cross or conspecific N. ephratae or N. corniger pairs. This was also the only pairing in which any aggression was observed. Heterospecific pairs and groups formed in mate choice mesocosms, suggesting that species recognition between these two termites is not an important aspect of mate choice. Overall, species mismatch tolerance and hybrid offspring viability are high. The present data, together with previous evidence from defensive secretions and isozyme analysis, suggest that hybridization may periodically occur in nature, and that reproductive barriers between these two species may be incomplete. Hybridization could provide a rare but important source of genetic diversity and may ensure mating opportunities for the more abundant sex of alates in each species.

  7. The coevolution of long-term pair bonds and cooperation.

    PubMed

    Song, Z; Feldman, M W

    2013-05-01

    The evolution of social traits may not only depend on but also change the social structure of the population. In particular, the evolution of pairwise cooperation, such as biparental care, depends on the pair-matching distribution of the population, and the latter often emerges as a collective outcome of individual pair-bonding traits, which are also under selection. Here, we develop an analytical model and individual-based simulations to study the coevolution of long-term pair bonds and cooperation in parental care, where partners play a Snowdrift game in each breeding season. We illustrate that long-term pair bonds may coevolve with cooperation when bonding cost is below a threshold. As long-term pair bonds lead to assortative interactions through pair-matching dynamics, they may promote the prevalence of cooperation. In addition to the pay-off matrix of a single game, the evolutionarily stable equilibrium also depends on bonding cost and accidental divorce rate, and it is determined by a form of balancing selection because the benefit from pair-bond maintenance diminishes as the frequency of cooperators increases. Our findings highlight the importance of ecological factors affecting social bonding cost and stability in understanding the coevolution of social behaviour and social structures, which may lead to the diversity of biological social systems. PMID:23496797

  8. SAMI Automated Plug Plate Configuration

    NASA Astrophysics Data System (ADS)

    Lorente, N. P. F.; Farrell, T.; Goodwin, M.

    2013-10-01

    The Sydney-AAO Multi-object Integral field spectrograph (SAMI) is a prototype wide-field system at the Anglo-Australian Telescope (AAT) which uses a plug-plate to mount its 13×61-core imaging fibre bundles (hexabundles) in the optical path at the telescope's prime focus. In this paper we describe the process of determining the positions of the plug-plate holes, where plates contain three or more stacked observation configurations. The process, which up until now has involved several separate processes and has required significant manual configuration and checking, is now being automated to increase efficiency and reduce error. This is carried out by means of a thin Java controller layer which drives the configuration cycle. This layer controls the user interface and the C++ algorithm layer where the plate configuration and optimisation is carried out. Additionally, through the Aladin display package, it provides visualisation and facilitates user verification of the resulting plates.

  9. Pairing in half-filled Landau level

    SciTech Connect

    Wang, Zhiqiang; Mandal, Ipsita; Chung, Suk Bum; Chakravarty, Sudip

    2014-12-15

    Pairing of composite fermions in half-filled Landau level state is reexamined by solving the BCS gap equation with full frequency dependent current–current interactions. Our results show that there can be a continuous transition from the Halperin–Lee–Read state to a chiral odd angular momentum Cooper pair state for short-range contact interaction. This is at odds with the previously established conclusion of first order pairing transition, in which the low frequency effective interaction was assumed for the entire frequency range. We find that even if the low frequency effective interaction is repulsive, it is compensated by the high frequency regime, which is attractive. We construct the phase diagrams and show that ℓ=1 angular momentum channel is quite different from higher angular momenta ℓ≥3. Remarkably, the full frequency dependent analysis applied to the bilayer Hall system with a total filling fraction ν=1/2 +1/2 is quantitatively changed from the previously established results but not qualitatively.

  10. State recovery and lockstep execution restart in a system with multiprocessor pairing

    SciTech Connect

    Gara, Alan; Gschwind, Michael K; Salapura, Valentina

    2014-01-21

    System, method and computer program product for a multiprocessing system to offer selective pairing of processor cores for increased processing reliability. A selective pairing facility is provided that selectively connects, i.e., pairs, multiple microprocessor or processor cores to provide one highly reliable thread (or thread group). Each paired microprocessor or processor cores that provide one highly reliable thread for high-reliability connect with a system components such as a memory "nest" (or memory hierarchy), an optional system controller, and optional interrupt controller, optional I/O or peripheral devices, etc. The memory nest is attached to a selective pairing facility via a switch or a bus. Each selectively paired processor core is includes a transactional execution facility, whereing the system is configured to enable processor rollback to a previous state and reinitialize lockstep execution in order to recover from an incorrect execution when an incorrect execution has been detected by the selective pairing facility.

  11. The structure and bonding of iron-acceptor pairs in silicon

    SciTech Connect

    Zhao, S.; Assali, L.V.C.; Kimerling, L.C.

    1995-08-01

    The highly mobile interstitial iron and Group III impurities (B, Al, Ga, In) form iron-acceptor pairs in silicon. Based on the migration kinetics and taking host silicon as a dielectric medium, we have simulated the pairing process in a static silicon lattice. Different from the conventional point charge ionic model, our phenomenological calculations include (1) a correction that takes into account valence electron cloud polarization which adds a short range, attractive interaction in the iron-acceptor pair bonding; and (2) silicon lattice relaxation due to the atomic size difference which causes a local strain field. Our model explains qualitatively (1) trends among the iron-acceptor pairs revealing an increase of the electronic state hole emission energy with increasing principal quantum number of acceptor and decreasing pair separation distance; and (2) the stable and metastable sites and configurational symmetries of the iron-acceptor pairs. The iron-acceptor pairing and bonding mechanism is also discussed.

  12. Space Station reference configuration description

    NASA Technical Reports Server (NTRS)

    1984-01-01

    The data generated by the Space Station Program Skunk Works over a period of 4 months which supports the definition of a Space Station reference configuration is documented. The data were generated to meet these objectives: (1) provide a focal point for the definition and assessment of program requirements; (2) establish a basis for estimating program cost; and (3) define a reference configuration in sufficient detail to allow its inclusion in the definition phase Request for Proposal (RFP).

  13. Context based configuration management system

    NASA Technical Reports Server (NTRS)

    Gawdiak, Yuri O. (Inventor); Gurram, Mohana M. (Inventor); Maluf, David A. (Inventor); Mederos, Luis A. (Inventor)

    2010-01-01

    A computer-based system for configuring and displaying information on changes in, and present status of, a collection of events associated with a project. Classes of icons for decision events, configurations and feedback mechanisms, and time lines (sequential and/or simultaneous) for related events are displayed. Metadata for each icon in each class is displayed by choosing and activating the corresponding icon. Access control (viewing, reading, writing, editing, deleting, etc.) is optionally imposed for metadata and other displayed information.

  14. A Large-scale Relativistic Configuration-Interaction Calculation for the 4s-4p Transition Energies of Copperlike Heavy Ions

    SciTech Connect

    Cheng, K T; Chen, M H

    2005-06-30

    The 4s-4p transition energies for high-Z copperlike ions are calculated using the relativistic configuration-interaction (RCI) method. These calculations are based on the relativistic no-pair Hamiltonian which includes Coulomb and frequency-dependent, retarded Breit interactions and use B-spline orbitals as basis functions. Mass polarization and quantum electrodynamic (QED) corrections are also calculated. The present RCI energies agree very well with results from the relativistic many-body perturbation theory. With QED corrections included, our total transition energies are in very good agreement with recent high-precision measurements.

  15. Local configuration measures for categorical spatial data: binary regular lattices

    NASA Astrophysics Data System (ADS)

    Boots, Barry

    2006-03-01

    This paper examines the utility of a number of pattern measures for local exploratory analysis of binary spatial data. Based on a review of existing pattern measures in cartography, geography, image analysis, and landscape ecology, two fundamental classes of such measures, termed compositional and configurational, are identified. The paper focuses on configurational measures and it is suggested that as many as five such measures (join counts, patch numbers, patch sizes, patch proximity, and distribution of the classes relative to the focal cell of the window) are required to differentiate between all possible local categorical maps. This suggestion is explored by examining aspects of the statistical behaviour (probability distributions and correlations between extreme values of pairs of measures) of a set of 12 configurational measures. Their use is also demonstrated by means of an empirical example.

  16. Ion Pair-π Interactions.

    PubMed

    Fujisawa, Kaori; Humbert-Droz, Marie; Letrun, Romain; Vauthey, Eric; Wesolowski, Tomasz A; Sakai, Naomi; Matile, Stefan

    2015-09-01

    We report that anion-π and cation-π interactions can occur on the same aromatic surface. Interactions of this type are referred to as ion pair-π interactions. Their existence, nature, and significance are elaborated in the context of spectral tuning, ion binding in solution, and activation of cell-penetrating peptides. The origin of spectral tuning by ion pair-π interactions is unraveled with energy-minimized excited-state structures: The solvent- and pH-independent red shift of absorption and emission of push-pull fluorophores originates from antiparallel ion pair-π attraction to their polarized excited state. In contrast, the complementary parallel ion pair-π repulsion is spectroscopically irrelevant, in part because of charge neutralization by intriguing proton and electron transfers on excited push-pull surfaces. With time-resolved fluorescence measurements, very important differences between antiparallel and parallel ion pair-π interactions are identified and quantitatively dissected from interference by aggregation and ion pair dissociation. Contributions from hydrogen bonding, proton transfer, π-π interactions, chromophore twisting, ion pairing, and self-assembly are systematically addressed and eliminated by concise structural modifications. Ion-exchange studies in solution, activation of cell-penetrating peptides in vesicles, and computational analysis all imply that the situation in the ground state is complementary to spectral tuning in the excited state; i.e., parallel rather than antiparallel ion pair-π interactions are preferred, despite repulsion from the push-pull dipole. The overall quite complete picture of ion pair-π interactions provided by these remarkably coherent yet complex results is expected to attract attention throughout the multiple disciplines of chemistry involved. PMID:26291550

  17. The coupling between stability and ion pair formation in magnesium electrolytes from first-principles quantum mechanics and classical molecular dynamics

    SciTech Connect

    Rajput, Nav Nidhi; Qu, Xiaohuui; Sa, Niya; Burrell, Anthony K.; Persson, Kristin A.

    2015-03-11

    In this work we uncover a novel effect between concentration dependent ion pair formation and anion stability at reducing potentials, e.g., at the metal anode. Through comprehensive calculations using both first-principles as well as well-benchmarked classical molecular dynamics over a matrix of electrolytes, covering solvents and salt anions with a broad range in chemistry, we elucidate systematic correlations between molecular level interactions and composite electrolyte properties, such as electrochemical stability, solvation structure, and dynamics. We find that Mg electrolytes are highly prone to ion pair formation, even at modest concentrations, for a wide range of solvents with different dielectric constants, which have implications for dynamics as well as charge transfer. Specifically, we observe that, at Mg metal potentials, the ion pair undergoes partial reduction at the Mg cation center (Mg2+ -> Mg+), which competes with the charge transfer mechanism and can activate the anion to render it susceptible to decomposition. Specifically, TFSI exhibits a significant bond weakening while paired with the transient, partially reduced Mg+. In contrast, BH4 and BF4 are shown to be chemically stable in a reduced ion pair configuration. Furthermore, we observe that higher order glymes as well as DMSO improve the solubility of Mg salts, but only the longer glyme chains reduce the dynamics of the ions in solution. This information provides critical design metrics for future electrolytes as it elucidates a close connection between bulk solvation and cathodic stability as well as the dynamics of the salt.

  18. Pair truncation for rotational nuclei: j=(17/2 model

    NASA Astrophysics Data System (ADS)

    Halse, P.; Jaqua, L.; Barrett, B. R.

    1989-08-01

    The suitability of the pair condensate approach for rotational states is studied in a single j=(17/2 shell of identical nucleons interacting through a quadrupole-quadrupole Hamiltonian. The ground band and a K=2 excited band are both studied in detail. A direct comparison of the exact states with those constituting the SD and SDG subspaces is used to identify the important degrees of freedom for these levels. The range of pairs necessary for a good description is found to be highly state dependent; S and D pairs are the major constituents of the low-spin ground-band levels, while G pairs are needed for those in the γ band. Energy spectra are obtained for each truncated subspace. SDG pairs allow accurate reproduction of the binding energy and K=2 excitation energy, but still give a moment of inertia which is about 30% too small even for the lowest levels.

  19. Topologies of velocity-field stagnation points generated by a single pair of magnets in free-surface electromagnetic experiments.

    PubMed

    de la Cruz, J M García; Vassilicos, J C; Rossi, L

    2014-10-01

    The velocity fields generated by a static pair of magnets in free-surface electromagnetically forced flows are analyzed for different magnet attitudes, ionic currents, and brine depths. A wide range of laminar velocity fields is obtained despite the forcing simplicity. The velocity fields are classified according to their temporal mean flow topology, which strongly depends on the forcing geometry but barely on its strength, even through the bifurcation to unsteady regimes. The mean flow topology possesses a major influence on the critical Reynolds number Rec under which the steady velocity fields remain stable. The qualitative comparison of the dependence of Rec on the topology is in agreement with previous works. The unsteady configurations evidence the advection of smaller flow structures by the largest scales, commonly known as "sweeping." PMID:25375588

  20. Pairing in hot rotating nuclei

    SciTech Connect

    Hung, N. Quang; Dang, N. Dinh

    2008-12-15

    Nuclear pairing properties are studied within an approach that includes the quasiparticle-number fluctuation (QNF) and coupling to the quasiparticle-pair vibrations at finite temperature and angular momentum. The formalism is developed to describe noncollective rotations about the symmetry axis. The numerical calculations are performed within a doubly folded equidistant multilevel model as well as several realistic nuclei. The results obtained for the pairing gap, total energy, and heat capacity show that the QNF smoothes out the sharp SN phase transition and leads to the appearance of a thermally assisted pairing gap in rotating nuclei at finite temperature. The corrections due to the dynamic coupling to SCQRPA vibrations and particle-number projection are analyzed. The effect of backbending of the momentum of inertia as a function of squared angular velocity is also discussed.

  1. Dynamical interactions of galaxy pairs

    NASA Technical Reports Server (NTRS)

    Athanassoula, E.

    1990-01-01

    Here the author briefly reviews the dynamics of sinking satellites and the effect of companions on elliptical galaxies. The author then discusses recent work on interacting disk systems, and finally focuses on a favorite interacting pair, NGC 5194/5195.

  2. Relationship between ion pair geometries and electrostatic strengths in proteins.

    PubMed Central

    Kumar, Sandeep; Nussinov, Ruth

    2002-01-01

    The electrostatic free energy contribution of an ion pair in a protein depends on two factors, geometrical orientation of the side-chain charged groups with respect to each other and the structural context of the ion pair in the protein. Conformers in NMR ensembles enable studies of the relationship between geometry and electrostatic strengths of ion pairs, because the protein structural contexts are highly similar across different conformers. We have studied this relationship using a dataset of 22 unique ion pairs in 14 NMR conformer ensembles for 11 nonhomologous proteins. In different NMR conformers, the ion pairs are classified as salt bridges, nitrogen-oxygen (N-O) bridges and longer-range ion pairs on the basis of geometrical criteria. In salt bridges, centroids of the side-chain charged groups and at least a pair of side-chain nitrogen and oxygen atoms of the ion-pairing residues are within a 4 A distance. In N-O bridges, at least a pair of the side-chain nitrogen and oxygen atoms of the ion-pairing residues are within 4 A distance, but the distance between the side-chain charged group centroids is greater than 4 A. In the longer-range ion pairs, the side-chain charged group centroids as well as the side-chain nitrogen and oxygen atoms are more than 4 A apart. Continuum electrostatic calculations indicate that most of the ion pairs have stabilizing electrostatic contributions when their side-chain charged group centroids are within 5 A distance. Hence, most (approximately 92%) of the salt bridges and a majority (68%) of the N-O bridges are stabilizing. Most (approximately 89%) of the destabilizing ion pairs are the longer-range ion pairs. In the NMR conformer ensembles, the electrostatic interaction between side-chain charged groups of the ion-pairing residues is the strongest for salt bridges, considerably weaker for N-O bridges, and the weakest for longer-range ion pairs. These results suggest empirical rules for stabilizing electrostatic interactions in

  3. MAP, MAC, and vortex-rings configurations in the Weinberg-Salam model

    NASA Astrophysics Data System (ADS)

    Teh, Rosy; Ng, Ban-Loong; Wong, Khai-Ming

    2015-11-01

    We report on the presence of new axially symmetric monopoles, antimonopoles and vortex-rings solutions of the SU(2)×U(1) Weinberg-Salam model of electromagnetic and weak interactions. When the ϕ-winding number n = 1, and 2, the configurations are monopole-antimonopole pair (MAP) and monopole-antimonopole chain (MAC) with poles of alternating sign magnetic charge arranged along the z-axis. Vortex-rings start to appear from the MAP and MAC configurations when the winding number n = 3. The MAP configurations possess zero net magnetic charge whereas the MAC configurations possess net magnetic charge of 4 πn / e. In the MAP configurations, the monopole-antimonopole pair is bounded by the Z0 field flux string and there is an electromagnetic current loop encircling it. The monopole and antimonopole possess magnetic charges ± 4πn/e sin2θW respectively. In the MAC configurations there is no string connecting the monopole and the adjacent antimonopole and they possess magnetic charges ± 4 πn/e respectively. The MAC configurations possess infinite total energy and zero magnetic dipole moment whereas the MAP configurations which are actually sphalerons possess finite total energy and magnetic dipole moment. The configurations were investigated for varying values of Higgs self-coupling constant 0 ≤ λ ≤ 40 at Weinberg angle θW = π/4.

  4. NCSX Machine Configuration Design Progress

    NASA Astrophysics Data System (ADS)

    Neilson, G. H.; Brooks, A.; Johnson, D.; Kugel, H.; Majeski, R.; Reiersen, W.; Zarnstorff, M.; Berry, L.; Cole, M.; Hirshman, S.; Nelson, B.; Strickler, D.

    2000-10-01

    A new experimental facility, the National Compact Stellarator Experiment, is being designed to support the development of high-beta, low aspect-ratio stellarators. To fulfill its mission, the facility design is required to: 1)be based on a stellarator magnetic configuration which enables it to address reactor physics issues, 2)have high probability of achieving its physics mission within the uncertainties of present-day physics models, and 3)provide access for experimental tools such as plasma heating systems and diagnostics. The most critical machine component is the coil system which determines the plasma configuration and its properties. To gain an understanding of the practical implications of the mission requirements and determine the optimum approach to satisfying them, a range of coil configuration options was investigated. To address requirement 1, each option was designed to reconstruct a common stellarator plasma configuration with desired stability and transport properties. To mitigate mission risk (requirement 2), magnetic configuration flexibility features, e.g., coils for inductive current drive and axisymmetric field shaping and an operating space exceeding the nominal magnetic field and pulse-length requirements, were included in all designs. To implement requirement 3, port access requirements for neutral-beam and radiofrequency heating systems, a diagnostic array, and vacuum pumping were determined and these were used to analyze the various designs. Differential costs were evaluated to provide a basis for assessing benefit/cost.

  5. Configurational temperature profile in confined fluids. I. Atomic fluid

    NASA Astrophysics Data System (ADS)

    Delhommelle, Jerome; Evans, Denis J.

    2001-04-01

    Two configurational expressions for the temperature are applied to the calculation of temperature profiles within a confined atomic fluid in a narrow slit pore. The configurational temperatures profiles so obtained are compared to the kinetic temperature, calculated from the equipartition principle, in equilibrium (EMD), and nonequilibrium molecular dynamics (NEMD) simulations of planar Poiseuille flow. We show that one of the configurational expressions exhibits a system-size dependence which prevents its application to the determination of high-resolution temperature profiles. The other expression yields good agreement with the kinetic temperature profile in both equilibrium and nonequilibrium systems.

  6. Columnar phases of discotics with orientation-dependent interactions

    NASA Astrophysics Data System (ADS)

    Martínez-Haya, Bruno; Cuetos, Alejandro

    2009-08-01

    The liquid crystal phase diagram of fluids of rigid discotics with soft interactions has been investigated by means of Monte Carlo simulations. The particles are modeled by spherocylinders or Gay-Berne ellipsoids with thickness/diameter aspect ratios of L /D=0.2. The study includes a variety of pair interaction potentials, featuring different energetic dependencies on the orientation of the particles. Three distinct types of models are considered: (i) models with a homogeneous interaction around the molecular core, (ii) models favoring stacked pair configurations, and (iii) models favoring edge-to-edge configurations. The stability and internal structure of the isotropic, nematic, and the different hexatic columnar phases exhibited by these fluids are discussed. The results indicate that the spherocylinder and ellipsoidal models differ in fundamental trends of their phase behavior. The spherocylinder fluids display more extended ranges of stability and longer pair correlation lengths in the columnar phases than the ellipsoidal models. As a consequence, as opposed to ellipsoids, the nematic phase for spherocylinders with the title aspect ratio tends to be entropically suppressed, even under favorable energetics.

  7. Columnar phases of discotics with orientation-dependent interactions.

    PubMed

    Martínez-Haya, Bruno; Cuetos, Alejandro

    2009-08-21

    The liquid crystal phase diagram of fluids of rigid discotics with soft interactions has been investigated by means of Monte Carlo simulations. The particles are modeled by spherocylinders or Gay-Berne ellipsoids with thickness/diameter aspect ratios of L/D=0.2. The study includes a variety of pair interaction potentials, featuring different energetic dependencies on the orientation of the particles. Three distinct types of models are considered: (i) models with a homogeneous interaction around the molecular core, (ii) models favoring stacked pair configurations, and (iii) models favoring edge-to-edge configurations. The stability and internal structure of the isotropic, nematic, and the different hexatic columnar phases exhibited by these fluids are discussed. The results indicate that the spherocylinder and ellipsoidal models differ in fundamental trends of their phase behavior. The spherocylinder fluids display more extended ranges of stability and longer pair correlation lengths in the columnar phases than the ellipsoidal models. As a consequence, as opposed to ellipsoids, the nematic phase for spherocylinders with the title aspect ratio tends to be entropically suppressed, even under favorable energetics. PMID:19708757

  8. CMS Configuration Editor: GUI based application for user analysis job

    NASA Astrophysics Data System (ADS)

    de Cosa, A.

    2011-12-01

    We present the user interface and the software architecture of the Configuration Editor for the CMS experiment. The analysis workflow is organized in a modular way integrated within the CMS framework that organizes in a flexible way user analysis code. The Python scripting language is adopted to define the job configuration that drives the analysis workflow. It could be a challenging task for users, especially for newcomers, to develop analysis jobs managing the configuration of many required modules. For this reason a graphical tool has been conceived in order to edit and inspect configuration files. A set of common analysis tools defined in the CMS Physics Analysis Toolkit (PAT) can be steered and configured using the Config Editor. A user-defined analysis workflow can be produced starting from a standard configuration file, applying and configuring PAT tools according to the specific user requirements. CMS users can adopt this tool, the Config Editor, to create their analysis visualizing in real time which are the effects of their actions. They can visualize the structure of their configuration, look at the modules included in the workflow, inspect the dependences existing among the modules and check the data flow. They can visualize at which values parameters are set and change them according to what is required by their analysis task. The integration of common tools in the GUI needed to adopt an object-oriented structure in the Python definition of the PAT tools and the definition of a layer of abstraction from which all PAT tools inherit.

  9. Negative refractive index of metallic cross-I-shaped pairs: origin and evolution with pair gap width.

    PubMed

    Ma, Y G; Wang, X C; Ong, C K

    2008-07-01

    A structured composite of the negative index of refraction was fabricated by one layer of cross-I-shaped metal pairs. In this structure, the electric and magnetic inclusions were effectively integrated into one small unit. We varied the spacing of the cross pair to control the location of the magnetic resonance mode and their intercoupling with the electric mode. The frequency dependences of permittivity, permeability, and refractive indices with different gap widths of the pairs were systematically discussed by free-space measurement as well as numerical simulation. A spacing window dependent on the geometrical parameters was found in which the real part of the refractive index could have a negative value. The one-layer cross-pair pattern proposed in this work can be extended to three-dimensional structures with well-controlled interlayer coupling that will greatly facilitate the fabrication and measurement of negative-index materials in high frequencies. PMID:18764072

  10. Configurational statistics of the DNA duplex: extended generator matrices to treat the rotations and translations of adjacent residues.

    PubMed

    Marky, N L; Olson, W K

    1994-01-01

    The base-to-base virtual bond treatment of nucleic acids used in statistical mechanical calculations of polynucleotide chain properties has been refined by incorporating the six parameters that relate the positions and orientations of sequential rigid bodies. The scheme allows for the sequence-dependent bending, twisting, and displacement of base pairs as well as for asymmetry in the angular and translational fluctuations of individual residues. Expressions are developed for the generator matrices required for the computation, as a function of chain length, of various parameters measuring the overall mean extension and shape of the DNA. Quantities of interest include the end-to-end vector r, the square of the end-to-end distance r2, the square radius of gyration s2, the center-of-gravity vector g, the second moments of inertia Sx2, and the higher moments of r and g. The matrix expressions introduced in the 1960s by Flory and co-workers for the determination of configuration-dependent polymer chain averages are decomposed into their translational and orientational contributions so that the methods can be extended to the rigid body analysis of chemical moieties. The new expressions permit, for the first time, examination of the effects of sequence-dependent translations, such as the lateral sliding of residues in A- and B-helices and the vertical opening of base pairs in drug-DNA complexes, on the average extension and shape of the long flexible double helix. The approach is in the following paper using conformational energy estimates of the base sequence-dependent flexibility of successive B-DNA base pairs. PMID:8110963

  11. Configurable silicon photonic crystal waveguides

    SciTech Connect

    Prorok, Stefan; Petrov, Alexander; Eich, Manfred; Luo, Jingdong; Jen, Alex K.-Y.

    2013-12-23

    In this Letter, we demonstrate that the mode cut off of a photonic crystal waveguide can be trimmed with high accuracy by electron beam bleaching of a chromophore doped polymer cladding. Using this method, configurable waveguides are realized, which allow for spatially resolved changes of the photonic crystal's effective lattice constant as small as 7.6 pm. We show three different examples how to take advantage of configurable photonic crystal waveguides: Shifting of the complete transmission spectrum, definition of cavities with high quality factor, and tuning of existing cavities.

  12. Runway configuration improvement programming model.

    NASA Technical Reports Server (NTRS)

    Yu, J. C.; Gibson, D. R.

    1973-01-01

    The basic objectives of the study were to subject a set of runway configurations to cost analysis and to develop a dynamic programming model which would enable an airport to economically match the ground capacity to its air traffic demand. Quantitative differences in the capacity of runway configurations result from the various aircraft/aircraft and aircraft/air-system interactions. A problem formulation and solution procedure is presented which is intended to be a meaningful technique for the long-range planning of runway expansion programs.

  13. Configurable silicon photonic crystal waveguides

    NASA Astrophysics Data System (ADS)

    Prorok, Stefan; Petrov, Alexander; Eich, Manfred; Luo, Jingdong; Jen, Alex K.-Y.

    2013-12-01

    In this Letter, we demonstrate that the mode cut off of a photonic crystal waveguide can be trimmed with high accuracy by electron beam bleaching of a chromophore doped polymer cladding. Using this method, configurable waveguides are realized, which allow for spatially resolved changes of the photonic crystal's effective lattice constant as small as 7.6 pm. We show three different examples how to take advantage of configurable photonic crystal waveguides: Shifting of the complete transmission spectrum, definition of cavities with high quality factor, and tuning of existing cavities.

  14. The NMR Structures of (rGCUGAGGCU)2 and (rGCGGAUGCU)2: Probing the Structural Features that Shape the Thermodynamic Stability of GA Pairs

    PubMed Central

    Tolbert, Blanton S.; Kennedy, Scott D.; Schroeder, Susan J.; Krugh, Thomas R.; Turner, Douglas H.

    2014-01-01

    The NMR structures of 5′GCUGA¯GGCU3′3′UCGGAGUCG5′ and 5′GCGGA¯UGCU3′3′UCGUAGGCG5′ are reported. The internal loop, 5′UGA¯G3′3′GAGU5′, is about 2 kcal/mol more stable than 5′GGA¯U3′3′UAGG5′ at 37 °C. The duplexes assemble into similar global folds characterized by the formation of tandem sheared GA pairs. The different stabilities of the loops are accompained by differences in the local structure of the closing GU pairs. In the 5′UGA¯G3′3′GAGU5′ internal loop, the GU pairs form canonical wobble configurations with two hydrogen bonds, whereas in 5′GGA¯U3′3′UAGG5′ the GU pairs form a single hydrogen bond involving the amino group, GH22, to the carbonyl group, UO4. This pairing is similar to the GU closing pair of the 690 hairpin loop found in E. coli 16S rRNA. The 5′UGA¯G3′3′GAGU5′ and 5′GGA¯U3′3′UAGG5′ structures reveal how the subtle interplay between stacking and hydrogen bonding determines sequence dependent conformation and thermodynamic stability. Thus, this work provides structural and thermodynamic benchmarks for theoreticians in the ongoing effort to understand the sequence dependence of RNA physicochemical properties. PMID:17279616

  15. Population-imbalanced lattice fermions near the BCS-BEC crossover: Thermal physics of the breached pair and Fulde-Ferrell-Larkin-Ovchinnikov phases

    NASA Astrophysics Data System (ADS)

    Karmakar, Madhuparna; Majumdar, Pinaki

    2016-05-01

    We study s -wave superconductivity in the two-dimensional attractive Hubbard model in an applied magnetic field, assume the extreme Pauli limit, and examine the role of spatial fluctuations in the coupling regime corresponding to BCS-BEC crossover. We use a decomposition of the interaction in terms of an auxiliary pairing field, retain the static mode, and sample the pairing field via a Monte Carlo approach. The method requires iterative solution of the Bogoliubov-de-Gennes equations for amplitude- and phase-fluctuating configurations of the pairing field. We establish the full thermal phase diagram of this strong-coupling problem. At low field we observe the magnetized but homogeneous "breached pair" superfluid phase. It reveals that Tc scales an order of magnitude below the mean-field estimate, spontaneous inhomogeneity in the field-induced magnetization, and a strong nonmonotonicity in the temperature dependence of the low-energy density of states. We compare our results to the experimental phase diagram of the imbalanced Fermi gas at unitarity. At higher field we obtain the modulated Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) phases. The thermal transition from the FFLO phases to the normal state is strongly first order. We track the fermionic momentum distribution, the density of states, and the pairing structure factor deep into the normal state. The pairing structure factor retains weak signature of finite momentum pairing to a high temperature despite the low Tc itself, while the spin-resolved density of states changes from the "pseudogapped" FFLO character to gapless and pseudogapped again with increasing temperature.

  16. Genetic covariance between components of male reproductive success: within-pair vs. extra-pair paternity in song sparrows

    PubMed Central

    Reid, J M; Arcese, P; Losdat, S

    2014-01-01

    The evolutionary trajectories of reproductive systems, including both male and female multiple mating and hence polygyny and polyandry, are expected to depend on the additive genetic variances and covariances in and among components of male reproductive success achieved through different reproductive tactics. However, genetic covariances among key components of male reproductive success have not been estimated in wild populations. We used comprehensive paternity data from socially monogamous but genetically polygynandrous song sparrows (Melospiza melodia) to estimate additive genetic variance and covariance in the total number of offspring a male sired per year outside his social pairings (i.e. his total extra-pair reproductive success achieved through multiple mating) and his liability to sire offspring produced by his socially paired female (i.e. his success in defending within-pair paternity). Both components of male fitness showed nonzero additive genetic variance, and the estimated genetic covariance was positive, implying that males with high additive genetic value for extra-pair reproduction also have high additive genetic propensity to sire their socially paired female's offspring. There was consequently no evidence of a genetic or phenotypic trade-off between male within-pair paternity success and extra-pair reproductive success. Such positive genetic covariance might be expected to facilitate ongoing evolution of polygyny and could also shape the ongoing evolution of polyandry through indirect selection. PMID:25186454

  17. Li7 NMR Investigation of Li-Li Pair Ordering in the Paraelectric Phase of Weakly Substitutionally Disordered K1-xLixTaO3

    NASA Astrophysics Data System (ADS)

    Zalar, Boštjan; Lebar, Andrija; Ailion, David C.; Kuzian, R. O.; Kondakova, I. V.; Laguta, V. V.

    2010-11-01

    Breaking of the average cubic symmetry in Li-doped potassium tantalate was observed with quadrupole-perturbed Li7 NMR at temperatures (150-400 K) far above the nominal glass transition temperature (≈50K for Li concentration x=0.03). The observed spectrum consists of contributions from both isolated Li ions (i.e., with no nearest-neighbor Li) and from Li-Li pairs. The isolated Li ions move among six equivalent off-center sites in a potential having cubic symmetry. These have zero average electric field gradient and, hence, exhibit no quadrupole splitting. In addition, very low intensity, but well resolved, quadrupole satellites having a temperature-dependent splitting were observed. This splitting indicates that the various Li-Li pair configurations are not all equally probable. These are the first direct observations of biased Li ion ordering that persists in the paraelectric phase at temperatures high above the glass phase.

  18. Characterization of friction at three contact pairs by photoelastic isotropic point (IP)

    NASA Astrophysics Data System (ADS)

    Surendra, K. V. N.; Simha, K. R. Y.

    2015-03-01

    Friction coefficient between a circular-disk periphery and V-block surface was determined by introducing the concept of isotropic point (IP) in isochromatic field of the disk under three-point symmetric loading. IP position on the symmetry axis depends on active coefficient of friction during experiment. We extend this work to asymmetric loading of circular disk in which case two frictional contact pairs out of three loading contacts, independently control the unconstrained IP location. Photoelastic experiment is conducted on particular case of asymmetric three-point loading of circular disk. Basics of digital image processing are used to extract few essential parameters from experimental image, particularly IP location. Analytical solution by Flamant for half plane with a concentrated load, is utilized to derive stress components for required loading configurations of the disk. IP is observed, in analytical simulations of three-point asymmetric normal loading, to move from vertical axis to the boundary along an ellipse-like curve. When friction is included in the analysis, IP approaches the center with increase in loading friction and it goes away with increase in support friction. With all these insights, using experimental IP information, friction angles at three contact pairs of circular disk under asymmetric loading, are determined.

  19. Using the GVB Ansatz to develop ensemble DFT method for describing multiple strongly correlated electron pairs.

    PubMed

    Filatov, Michael; Martínez, Todd J; Kim, Kwang S

    2016-08-21

    Ensemble density functional theory (DFT) furnishes a rigorous theoretical framework for describing the non-dynamic electron correlation arising from (near) degeneracy of several electronic configurations. Ensemble DFT naturally leads to fractional occupation numbers (FONs) for several Kohn-Sham (KS) orbitals, which thereby become variational parameters of the methodology. The currently available implementation of ensemble DFT in the form of the spin-restricted ensemble-referenced KS (REKS) method was originally designed for systems with only two fractionally occupied KS orbitals, which was sufficient to accurately describe dissociation of a single chemical bond or the singlet ground state of biradicaloid species. To extend applicability of the method to systems with several dissociating bonds or to polyradical species, more fractionally occupied orbitals must be included in the ensemble description. Here we investigate a possibility of developing the extended REKS methodology with the help of the generalized valence bond (GVB) wavefunction theory. The use of GVB enables one to derive a simple and physically transparent energy expression depending explicitly on the FONs of several KS orbitals. In this way, a version of the REKS method with four electrons in four fractionally occupied orbitals is derived and its accuracy in the calculation of various types of strongly correlated molecules is investigated. We propose a possible scheme to ameliorate the partial size-inconsistency that results from perfect spin-pairing. We conjecture that perfect pairing natural orbital (NO) functionals of reduced density matrix functional theory (RDMFT) should also display partial size-inconsistency. PMID:26947515

  20. Mass of Galaxies in Pairs

    NASA Astrophysics Data System (ADS)

    Junqueira, S.; Chan, R.

    We have compared the frequency distribution of the dynamical observed quantity log (V r), for a sample of 46 pairs of elliptical galaxies, to the distribution of this quantity obtained from numerical simulations of pairs of galaxies. From such an analysis, where we have considered the structure of the galaxies and its influence in the orbital evolution of the system, we have obtained the characteristic mass and the mass-luminosity ratio for the sample. Our results show that the hypothesis of point-mass in elliptical orbits is, for this sample, an approximation as good as the model that takes into account the structure of the galaxies. The statistical method used here gives an estimate of a more reliable mass, it minimizes the contamination of spurious pairs and it considers adequately the contribution of the physical pairs. We have obtained a characteristic mass to the 46 elliptical pairs of 1.68 × 10^12 +/- 7.01 × 10^11 M_solar with M/L = 17.6 +/- 7.3 (H_0 = 60 km s^-1 Mpc^-1).

  1. A Communication Configuration of AIDS.

    ERIC Educational Resources Information Center

    Hughey, Jim D.

    A study focused on the way that image, knowledge, behavioral intent, and communicative responsiveness are configured for Acquired Immunodeficiency Syndrome (AIDS). The classic model of the adoption process expects that knowledge about a subject will lead to a favorable evaluation of it, which in turn will lead to a decision to act. But the…

  2. Inversion and Configuration of Faces.

    ERIC Educational Resources Information Center

    Bartlett, James C.; Searcy, Jean

    1993-01-01

    The Thatcher illusion, in which the inverted mouth and eyes of a face appear grotesque when upright, but not when the whole configuration is inverted, was studied in 3 experiments involving 89 undergraduates. Results suggest that the illusion represents a disruption of encoding of holistic information when faces are inverted. (SLD)

  3. NCCDS configuration management process improvement

    NASA Technical Reports Server (NTRS)

    Shay, Kathy

    1993-01-01

    By concentrating on defining and improving specific Configuration Management (CM) functions, processes, procedures, personnel selection/development, and tools, internal and external customers received improved CM services. Job performance within the section increased in both satisfaction and output. Participation in achieving major improvements has led to the delivery of consistent quality CM products as well as significant decreases in every measured CM metrics category.

  4. Configuration Aerodynamics: Past - Present - Future

    NASA Technical Reports Server (NTRS)

    Wood, Richard M.; Agrawal, Shreekant; Bencze, Daniel P.; Kulfan, Robert M.; Wilson, Douglas L.

    1999-01-01

    The Configuration Aerodynamics (CA) element of the High Speed Research (HSR) program is managed by a joint NASA and Industry team, referred to as the Technology Integration Development (ITD) team. This team is responsible for the development of a broad range of technologies for improved aerodynamic performance and stability and control characteristics at subsonic to supersonic flight conditions. These objectives are pursued through the aggressive use of advanced experimental test techniques and state of the art computational methods. As the HSR program matures and transitions into the next phase the objectives of the Configuration Aerodynamics ITD are being refined to address the drag reduction needs and stability and control requirements of High Speed Civil Transport (HSCT) aircraft. In addition, the experimental and computational tools are being refined and improved to meet these challenges. The presentation will review the work performed within the Configuration Aerodynamics element in 1994 and 1995 and then discuss the plans for the 1996-1998 time period. The final portion of the presentation will review several observations of the HSR program and the design activity within Configuration Aerodynamics.

  5. Configural Processing and Face Viewpoint

    ERIC Educational Resources Information Center

    McKone, Elinor

    2008-01-01

    Configural/holistic processing, a key property of face recognition, has previously been examined only for front views of faces. Here, 6 experiments tested front (0 degree), three-quarter (45 degree), and profile views (90 degree), using composite and peripheral inversion tasks. Results showed an overall disadvantage in identifying profiles. This…

  6. Ab Initio Atomic Simulations of Antisite Pair Recovery in Cubic Silicon Carbide

    SciTech Connect

    Gao, Fei; Du, Jincheng; Bylaska, Eric J.; Posselt, Matthias; Weber, William J.

    2007-05-28

    The thermal stability of an antisite pair in 3C-SiC is studied using ab initio molecular dynamics within the framework of density functional theory. The lifetime of the antisite pair configuration is calculated for temperatures between 1800 and 2250 K, and the effective activation energy for antisite pair recombination is determined to be 2.52 eV. The recombination energy path and static energy barrier are also calculated using the nudged elastic band method, along with the dimer method to accurately locate the transition states. The consistency of the results suggests that the antisite pair cannot be correlated with the DI photoluminescence center, as proposed by previously theoretical interpretations. An extended exchange mechanism is found for the antisite pair recombination, and this may be a dominant mechanism for antisite pair recombination and diffusion of impurities in compound semiconductors.

  7. Strongly separated pairs of core electrons in computed ground states of small molecules

    PubMed Central

    Gottlieb, Alex D.; Weishäupl, Rada M.

    2013-01-01

    We have performed full configuration interaction computations of the ground states of the molecules Be, BeH2, Li, LiH, B, and BH and verified that the core electrons constitute “separated electron pairs.” These separated pairs of core electrons have nontrivial structure; the core pair does not simply occupy a single spatial orbital. Our method of establishing the presence of separated electron pairs is direct and conclusive. We do not fit a separated pair model; we work with the wavefunctions of interest directly. To establish that a given group of spin–orbitals contains a quasi-separated pair, we verify by direct computation that the quantum state of the electrons that occupy those spin–orbitals is nearly a pure 2-electron state. PMID:23459686

  8. Pseudopotential theory of interacting roton pairs in superfluid 4He

    NASA Astrophysics Data System (ADS)

    Bedell, K.; Pines, D.; Zawadowski, A.

    1984-01-01

    A configuration-space pseudopotential, which is closely related to that used by Aldrich and Pines to describe the effective interaction between background particles in 3He and 4He, is constructed and used to calculate the roton-roton scattering amplitude. From that amplitude we obtain a theory that is completely congruent with the roton-liquid theory of Bedell, Pines, and Fomin. We calculate two-roton bound states, roton-liquid parameters, and roton lifetimes, as well as information about the hybridization of the two-roton bound state with excitations of higher and lower energy. Excellent agreement between theory and experiment is obtained for the l=2 bound state at zero pair momentum, the roton lifetime, the roton contribution to the normal-fluid viscosity and the normal-fluid density, and the temperature variation of the roton energy. The effective roton-roton coupling parameters at large pair momentum are found to be an order of magnitude larger than those for small or vanishing pair momentum. At SVP we find that a substantial number of two-roton bound states of varying symmetry exist for pair momentum up to ~ 3 Å -1; at standard pressure, however the roton-roton interaction for momenta ~ 1 Å -1 is found to become repulsive, so that both the l=2 bound state at zero pair momentum and bound states at intermediate momenta are predicted to disappear under pressure.

  9. Stereo pairs from linear morphing

    NASA Astrophysics Data System (ADS)

    McAllister, David F.

    1998-04-01

    Several authors have recently investigated the ability to compute intermediate views of a scene using given 2D images from arbitrary camera positions. The methods fall under the topic of image based rendering. In the case we give here, linear morphing between two parallel views of a scene produces intermediate views that would have been produced by parallel movement of a camera. Hence, the technique produces images computed in a way that is consistent with the standard off-axis perspective projection method for computing stereo pairs. Using available commercial 2D morphing software, linear morphing can be used to produce stereo pairs from a single image with bilateral symmetry such as a human face. In our case, the second image is produced by horizontal reflection. We describe morphing and show how it can be used to provide stereo pairs from single images.

  10. Pair-Starved Pulsar Magnetospheres

    NASA Technical Reports Server (NTRS)

    Muslimov, Alex G.; Harding, Alice K.

    2009-01-01

    We propose a simple analytic model for the innermost (within the light cylinder of canonical radius, approx. c/Omega) structure of open-magnetic-field lines of a rotating neutron star (NS) with relativistic outflow of charged particles (electrons/positrons) and arbitrary angle between the NS spin and magnetic axes. We present the self-consistent solution of Maxwell's equations for the magnetic field and electric current in the pair-starved regime where the density of electron-positron plasma generated above the pulsar polar cap is not sufficient to completely screen the accelerating electric field and thus establish thee E . B = 0 condition above the pair-formation front up to the very high altitudes within the light cylinder. The proposed mode1 may provide a theoretical framework for developing the refined model of the global pair-starved pulsar magnetosphere.

  11. Configuration based Collisional-Radiative Model including configuration interaction

    NASA Astrophysics Data System (ADS)

    Busquet, Michel

    2007-11-01

    Atomic levels mixing through Configuration Interaction (CI) yields important effects. It transfers oscillator strengthes from allowed lines to forbidden lines, and produces strong shift and broadening of line arrays, although the total emissivity is almost insensitive to CI, being proportional to the average wave number. However for hi Z material, like Xe or Sn (potential xuv-ray source for micro-lithography), a non-LTE calculation accounting for all relevant levels wiill be untractable with billions of states. The model we constructed, CAVCRM (caf'e-crème), is a non-LTE C.R.M. where states are configurations but it includes C.I. to give full richness of spectral quantities, using the latest version of the HULLAC-v9 suite of codes and our newly developped algorithm for large set of states with as many as 50,000 states [1]. [1] M.Klapisch et al, this conference

  12. C. Y. Chao, Pair Creation and Pair Annihilation

    NASA Astrophysics Data System (ADS)

    Li, Bing An; Yang, C. N.

    C. Y. Chao's contribution to physicists' acceptance of QED in 1933-1934 through his experiments of 1930 is analyzed. It is pointed out that Blackett and Occhialini's key suggestion of 1933 about hole theory was based on identifying Chao's "additional scattered rays" (1930) as due to pair annihilation.

  13. C. Y. Chao, Pair Creation and Pair Annihilation

    NASA Astrophysics Data System (ADS)

    Li, Bing An; Yang, C. N.

    2013-05-01

    C. Y. Chao's contribution to physicists' acceptance of QED in 1933-1934 through his experiments of 1930 is analyzed. It is pointed out that Blackett and Occhialini's key suggestion of 1933 about hole theory was based on identifying Chao's "additional scattered rays" (1930) as due to pair annihilation.

  14. Invisibly Sanitizable Signature without Pairings

    NASA Astrophysics Data System (ADS)

    Yum, Dae Hyun; Lee, Pil Joong

    Sanitizable signatures allow sanitizers to delete some pre-determined parts of a signed document without invalidating the signature. While ordinary sanitizable signatures allow verifiers to know how many subdocuments have been sanitized, invisibly sanitizable signatures do not leave any clue to the sanitized subdocuments; verifiers do not know whether or not sanitizing has been performed. Previous invisibly sanitizable signature scheme was constructed based on aggregate signature with pairings. In this article, we present the first invisibly sanitizable signature without using pairings. Our proposed scheme is secure under the RSA assumption.

  15. Nucleon pairing in Sn isotopes

    NASA Astrophysics Data System (ADS)

    Imasheva, L.; Ishkhanov, B.; Stepanov, M.; Tretyakova, T.

    2016-01-01

    The systematics of excited states in Sn isotopes are discussed on basis of pairing interaction in nuclei. Nucleon paring leads to formation of excited states multiplets. The estimation of multiplet splitting based on experimental nuclear masses allows one to calculate the position of excited states with different seniority in δ-approximation. The wide systematics of the spectra of Sn isotopes gives a possibility to check the pairing interaction for different subshells and consider the multiplets of excited states in the neutron-rich isotopes far from stability.

  16. At the Crossroads: Does the Configuration of Roadside Vegetation Affect Woodland Bird Communities in Rural Landscapes?

    PubMed Central

    Hall, Mark; Nimmo, Dale; Bennett, Andrew F.

    2016-01-01

    In agricultural regions worldwide, linear networks of vegetation such as hedges, fencerows and live fences provide habitat for plant and animal species in heavily modified landscapes. In Australia, networks of remnant native vegetation along roadsides are a distinctive feature of many rural landscapes. Here, we investigated the richness and composition of woodland-dependent bird communities in networks of eucalypt woodland vegetation along roadsides, in an agricultural region in which >80% of native woodland and forest vegetation has been cleared. We stratified sites in a) cross sections and b) linear strips of roadside vegetation, to test the influence on woodland birds of site location and configuration in the linear network (the ‘intersection effect’). We also examined the influence of tree size at the site, the amount of wooded vegetation surrounding the site, and the abundance of an aggressive native species, the noisy miner Manorina melanocephala. Birds were surveyed at 26 pairs of sites (cross section or linear strip) on four occasions. A total of 66 species was recorded, including 35 woodland species. The richness of woodland bird species was influenced by site configuration, with more species present at cross sections, particularly those with larger trees (>30 cm diameter). However, the strongest influence on species richness was the relative abundance of the noisy miner. The richness of woodland birds at sites where noisy miners were abundant was ~20% of that where miners were absent. These results recognise the value of networks of roadside vegetation as habitat for woodland birds in depleted agricultural landscapes; but highlight that this value is not realised for much of this vast vegetation network because of the dominance of the noisy miner. Nevertheless, roadside vegetation is particularly important where the configuration of networks create nodes that facilitate movement. Globally, the protection, conservation and restoration of such linear

  17. At the Crossroads: Does the Configuration of Roadside Vegetation Affect Woodland Bird Communities in Rural Landscapes?

    PubMed

    Hall, Mark; Nimmo, Dale; Bennett, Andrew F

    2016-01-01

    In agricultural regions worldwide, linear networks of vegetation such as hedges, fencerows and live fences provide habitat for plant and animal species in heavily modified landscapes. In Australia, networks of remnant native vegetation along roadsides are a distinctive feature of many rural landscapes. Here, we investigated the richness and composition of woodland-dependent bird communities in networks of eucalypt woodland vegetation along roadsides, in an agricultural region in which >80% of native woodland and forest vegetation has been cleared. We stratified sites in a) cross sections and b) linear strips of roadside vegetation, to test the influence on woodland birds of site location and configuration in the linear network (the 'intersection effect'). We also examined the influence of tree size at the site, the amount of wooded vegetation surrounding the site, and the abundance of an aggressive native species, the noisy miner Manorina melanocephala. Birds were surveyed at 26 pairs of sites (cross section or linear strip) on four occasions. A total of 66 species was recorded, including 35 woodland species. The richness of woodland bird species was influenced by site configuration, with more species present at cross sections, particularly those with larger trees (>30 cm diameter). However, the strongest influence on species richness was the relative abundance of the noisy miner. The richness of woodland birds at sites where noisy miners were abundant was ~20% of that where miners were absent. These results recognise the value of networks of roadside vegetation as habitat for woodland birds in depleted agricultural landscapes; but highlight that this value is not realised for much of this vast vegetation network because of the dominance of the noisy miner. Nevertheless, roadside vegetation is particularly important where the configuration of networks create nodes that facilitate movement. Globally, the protection, conservation and restoration of such linear

  18. Generalized Ellipsometry in Unusual Configurations

    SciTech Connect

    Jellison Jr, Gerald Earle; Holcomb, David Eugene; Hunn, John D; Rouleau, Christopher M; Wright, Gomez W

    2006-01-01

    Most ellipsometry experiments are performed by shining polarized light onto a sample at a large angle of incidence, and the results are interpreted in terms of thin film thicknesses and isotropic optical functions of the film or substrate. However, it is possible to alter the geometrical arrangement, either by observing the sample in transmission or at normal-incidence reflection. In both cases, the experiment is fundamentally the same, but the interpretation of the results is considerably different. Both configurations can be used in conjunction with microscope optics, allowing for images to be made of the sample. The results of three examples of these different configurations using the two-modulator generalized ellipsometer (2-MGE) are reported: (1) spectroscopic birefringence measurements of ZnO, (2) electric field-induced birefringence (Pockels effect) in GaAs, and (3) normal-incidence reflection anisotropy of highly oriented pyrolytic graphite (HOPG).

  19. Missing energies at pair creation

    NASA Technical Reports Server (NTRS)

    El-Ela, A. A.; Bagge, E. R.; Hassan, S.

    1985-01-01

    Wilson cloud chamber measurements of the separated spectra of positrons and electrons produced by gamma quanta of 6.14 MeV differ considerably from the theoretically predicted spectra by BETHE and HEITLER, but are in good agreement with those of a modified theory of pair creation.

  20. Pairing Linguistic and Music Intelligences

    ERIC Educational Resources Information Center

    DiEdwardo, MaryAnn Pasda

    2005-01-01

    This article describes how music in the language classroom setting can be a catalyst for developing reading, writing, and understanding skills. Studies suggest that pairing music and linguistic intelligences in the college classroom improves students' grades and abilities to compose theses statements for research papers in courses that emphasize…

  1. Pick a Pair. Being Bony

    ERIC Educational Resources Information Center

    Miller, Pat

    2004-01-01

    This column suggests pairings of fiction and nonfiction books to meet curricular needs and help students to compare/contrast the texts as they may be asked on state tests. The author of this paper focuses on activities surrounding Halloween. Since many schools are discouraged from teaching about Halloween, this can be a great time to investigate…

  2. Paired Reading: Psycholinguistics in Practice.

    ERIC Educational Resources Information Center

    Barrett, James Martin

    1987-01-01

    Contends that children need to learn phonic skills, not necessarily through early direct teaching, but through reading experience. Suggests using Paired Reading, which is validated by psycholinguistic reading theory and provides opportunities to learn to read from context and use innate syntactic and semantic knowledge. (SKC)

  3. Solar disk sextant optical configuration

    NASA Technical Reports Server (NTRS)

    Chiu, H.-Y.; Maier, E.; Schatten, K. H.; Sofia, S.

    1984-01-01

    In this paper the performance of a plausible configuration for the solar disk sextant, an instrument to be used to monitor the solar diameter, is evaluated. Overall system requirements are evaluated, and tolerable uncertainties are obtained. It is concluded that by using a beam splitting wedge, a folded optics design can be used to measure the solar diameter to an accuracy of 10 to the -6th, despite the greater aberrations present in such optical systems.

  4. Unlimited full configuration interaction calculations

    NASA Astrophysics Data System (ADS)

    Knowles, Peter J.; Handy, Nicholas C.

    1989-08-01

    In very large full configuration interaction (full CI), nearly all of the CI coefficients are very small. Calculations, using a newly developed algorithm which exploits this fact, on NH3 with a DZP basis are reported, involving 2×108 Slater determinants. Such calculations are impossible with other existing full CI codes. The new algorithm opens up the opportunity of full CI calculations which are unlimited in size.

  5. Stereoscopic Configurations To Minimize Distortions

    NASA Technical Reports Server (NTRS)

    Diner, Daniel B.

    1991-01-01

    Proposed television system provides two stereoscopic displays. Two-camera, two-monitor system used in various camera configurations and with stereoscopic images on monitors magnified to various degrees. Designed to satisfy observer's need to perceive spatial relationships accurately throughout workspace or to perceive them at high resolution in small region of workspace. Potential applications include industrial, medical, and entertainment imaging and monitoring and control of telemanipulators, telerobots, and remotely piloted vehicles.

  6. Electronic Raman scattering as a probe of anisotropic electron pairing

    SciTech Connect

    Devereaux, T.P.

    1995-08-01

    A theory for the electronic contribution to Raman scattering in anisotropic superconductors is presented. It is shown that Raman scattering can provide a wealth of polarization-(symmetry-) dependent information which probes the detailed angular dependence of the energy gap. Using a model band structure, the symmetry-dependent Raman spectra are calculated for d{sub x{sup 2}{minus}y{sup 2}} pairing and compared to the data taken on Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8}. Favorable agreement with the symmetry-dependent electronic spectra is shown. Further, the impurity dependence of theory is calculated, which provides an unique test of d{sub x{sup 2}{minus}y{sup 2}} pairing.

  7. Predictive Modeling of Tokamak Configurations*

    NASA Astrophysics Data System (ADS)

    Casper, T. A.; Lodestro, L. L.; Pearlstein, L. D.; Bulmer, R. H.; Jong, R. A.; Kaiser, T. B.; Moller, J. M.

    2001-10-01

    The Corsica code provides comprehensive toroidal plasma simulation and design capabilities with current applications [1] to tokamak, reversed field pinch (RFP) and spheromak configurations. It calculates fixed and free boundary equilibria coupled to Ohm's law, sources, transport models and MHD stability modules. We are exploring operations scenarios for both the DIII-D and KSTAR tokamaks. We will present simulations of the effects of electron cyclotron heating (ECH) and current drive (ECCD) relevant to the Quiescent Double Barrier (QDB) regime on DIII-D exploring long pulse operation issues. KSTAR simulations using ECH/ECCD in negative central shear configurations explore evolution to steady state while shape evolution studies during current ramp up using a hyper-resistivity model investigate startup scenarios and limitations. Studies of high bootstrap fraction operation stimulated by recent ECH/ECCD experiments on DIIID will also be presented. [1] Pearlstein, L.D., et al, Predictive Modeling of Axisymmetric Toroidal Configurations, 28th EPS Conference on Controlled Fusion and Plasma Physics, Madeira, Portugal, June 18-22, 2001. * Work performed under the auspices of the U.S. Department of Energy by the University of California, Lawrence Livermore National Laboratory under contract No. W-7405-Eng-48.

  8. Ringed Accretion Disks: Equilibrium Configurations

    NASA Astrophysics Data System (ADS)

    Pugliese, D.; Stuchlík, Z.

    2015-12-01

    We investigate a model of a ringed accretion disk, made up by several rings rotating around a supermassive Kerr black hole attractor. Each toroid of the ringed disk is governed by the general relativity hydrodynamic Boyer condition of equilibrium configurations of rotating perfect fluids. Properties of the tori can then be determined by an appropriately defined effective potential reflecting the background Kerr geometry and the centrifugal effects. The ringed disks could be created in various regimes during the evolution of matter configurations around supermassive black holes. Therefore, both corotating and counterrotating rings have to be considered as being a constituent of the ringed disk. We provide constraints on the model parameters for the existence and stability of various ringed configurations and discuss occurrence of accretion onto the Kerr black hole and possible launching of jets from the ringed disk. We demonstrate that various ringed disks can be characterized by a maximum number of rings. We present also a perturbation analysis based on evolution of the oscillating components of the ringed disk. The dynamics of the unstable phases of the ringed disk evolution seems to be promising in relation to high-energy phenomena demonstrated in active galactic nuclei.

  9. Selectivity evaluation for two experimental gill-net configurations used to sample Lake Erie walleyes

    USGS Publications Warehouse

    Vandergoot, Christopher S.; Kocovsky, Patrick M.; Brenden, Travis O.; Liu, Weihai

    2011-01-01

    We used length frequencies of captured walleyes Sander vitreus to indirectly estimate and compare selectivity between two experimental gill-net configurations used to sample fish in Lake Erie: (1) a multifilament configuration currently used by the Ohio Department of Natural Resources (ODNR) with stretched-measure mesh sizes ranging from 51 to 127 mm and a constant filament diameter (0.37 mm); and (2) a monofilament configuration with mesh sizes ranging from 38 to 178 mm and varying filament diameter (range = 0.20–0.33 mm). Paired sampling with the two configurations revealed that the catch of walleyes smaller than 250 mm and larger than 600 mm was greater in the monofilament configuration than in the multifilament configuration, but the catch of 250–600-mm fish was greater in the multifilament configuration. Binormal selectivity functions yielded the best fit to observed walleye catches for both gill-net configurations based on model deviances. Incorporation of deviation terms in the binormal selectivity functions (i.e., to relax the assumption of geometric similarity) further improved the fit to observed catches. The final fitted selectivity functions produced results similar to those from the length-based catch comparisons: the monofilament configuration had greater selectivity for small and large walleyes and the multifilament configuration had greater selectivity for mid-sized walleyes. Computer simulations that incorporated the fitted binormal selectivity functions indicated that both nets were likely to result in some bias in age composition estimates and that the degree of bias would ultimately be determined by the underlying condition, mortality rate, and growth rate of the Lake Erie walleye population. Before the ODNR switches its survey gear, additional comparisons of the different gill-net configurations, such as fishing the net pairs across a greater range of depths and at more locations in the lake, should be conducted to maintain congruence in

  10. Pairing Strengths for a Two Orbital Model of the Fe-pnictides

    SciTech Connect

    Qi, Xiao-Liang; Raghu, S.; Liu, Chao-Xing; Scalapino, D.J.; Zhang, Shou-Cheng; /Stanford U., Phys. Dept.

    2010-03-25

    Using an RPA approximation, we have calculated the strengths of the singlet and triplet pairing interactions which arise from the exchange of spin and orbital fluctuations for a 2-orbital model of the Fe-pnictide superconductors. When the system is doped with F, the electron pockets become dominant and we find that the strongest pairing occurs in the singlet d-wave pairing and the triplet p-wave pairing channels, which compete closely. The pairing structure in the singlet d-wave channel corresponds to a superposition of near neighbor intra-orbital singlets with a minus sign phase difference between the d{sub xz} and d{sub yz} pairs. The leading pairing configuration in the triplet channel also involves a nearest neighbor intra-orbital pairing. We find that the strengths of both the singlet and triplet pairing grow, with the singlet pairing growing faster, as the onsite Coulomb interaction approaches the value where the S = 1 particle-hole susceptibility diverges.

  11. Full configuration interaction benchmark calculations for TiH

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.

    1988-01-01

    Full configuration interaction (FCI) results for the 3F and 5F states of Ti and the 4Phi and 2Delta states of TiH are presented. While the coupled pair functional (CPF) or modified CPF approaches are found to work well for the 4Phi state of TiH, they do not perform as well for the 2Delta state. Although for mu, the CASSCF/MRCI methods do well for the 2Delta state, when the active space is expanded outside the normal valence definition, the dipole moment is only brought into agreement with the FCI results by natural orbital iterations.

  12. Superluminal Spot Pair Events in Astronomical Settings: Sweeping Beams

    NASA Astrophysics Data System (ADS)

    Nemiroff, Robert J.

    2015-02-01

    Sweeping beams of light can cast spots moving with superluminal speeds across scattering surfaces. Such faster-than-light speeds are well-known phenomena that do not violate special relativity. It is shown here that under certain circumstances, superluminal spot pair creation and annihilation events can occur that provide unique information to observers. These spot pair events are not particle pair events-they are the sudden creation or annihilation of a pair of relatively illuminated spots on a scattering surface. Real spot pair illumination events occur unambiguously on the scattering surface when spot speeds diverge, while virtual spot pair events are observer dependent and perceived only when real spot radial speeds cross the speed of light. Specifically, a virtual spot pair creation event will be observed when a real spot's speed toward the observer drops below c, while a virtual spot pair annihilation event will be observed when a real spot's radial speed away from the observer rises above c. Superluminal spot pair events might be found angularly, photometrically, or polarimetrically, and might carry useful geometry or distance information. Two example scenarios are briefly considered. The first is a beam swept across a scattering spherical object, exemplified by spots of light moving across Earth's Moon and pulsar companions. The second is a beam swept across a scattering planar wall or linear filament, exemplified by spots of light moving across variable nebulae including Hubble's Variable Nebula. In local cases where the sweeping beam can be controlled and repeated, a three-dimensional map of a target object can be constructed. Used tomographically, this imaging technique is fundamentally different from lens photography, radar, and conventional lidar.

  13. Precision Targeted Mutagenesis via Cas9 Paired Nickases in Rice

    PubMed Central

    Mikami, Masafumi; Toki, Seiichi; Endo, Masaki

    2016-01-01

    Recent reports of CRISPR- (clustered regularly interspaced short palindromic repeats)/Cas9 (CRISPR-associated protein 9) mediated heritable mutagenesis in plants highlight the need for accuracy of the mutagenesis directed by this system. Off-target mutations are an important issue when considering functional gene analysis, as well as the molecular breeding of crop plants with large genome size, i.e. with many duplicated genes, and where the whole-genome sequence is still lacking. In mammals, off-target mutations can be suppressed by using Cas9 paired nickases together with paired guide RNAs (gRNAs). However, the performance of Cas9 paired nickases has not yet been fully assessed in plants. Here, we analyzed on- and off-target mutation frequency in rice calli and regenerated plants using Cas9 nuclease or Cas9 nickase with paired gRNAs. When Cas9 paired nickases were used, off-target mutations were fully suppressed in rice calli and regenerated plants. However, on-target mutation frequency also decreased compared with that induced by the Cas9 paired nucleases system. Since the gRNA sequence determines specific binding of Cas9 protein–gRNA ribonucleoproteins at the targeted sequence, the on-target mutation frequency of Cas9 paired nickases depends on the design of paired gRNAs. Our results suggest that a combination of gRNAs that can induce mutations at high efficiency with Cas9 nuclease should be used together with Cas9 nickase. Furthermore, we confirmed that a combination of gRNAs containing a one nucleotide (1 nt) mismatch toward the target sequence could not induce mutations when expressed with Cas9 nickase. Our results clearly show the effectiveness of Cas9 paired nickases in delivering on-target specific mutations. PMID:26936792

  14. Stereo Pair: Wellington, New Zealand

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Wellington, the capital city of New Zealand, is located on the shores of Port Nicholson, a natural harbor at the south end of North Island. The city was founded in 1840 by British emigrants and now has a regional population of more than 400,000 residents. As seen here, the natural terrain imposes strong control over the urban growth pattern (urban features generally appear gray or white in this view). Rugged hills generally rising to 300 meters (1,000 feet) help protect the city and harbor from strong winter winds

    New Zealand is seismically active and faults are readily seen in the topography. The Wellington Fault forms the straight northwestern (left) shoreline of the harbor. Toward the southwest (down) the fault crosses through the city, then forms linear canyons in the hills before continuing offshore at the bottom. Toward the northeast (upper right) the fault forms the sharp mountain front along the northern edge of the heavily populated Hutt Valley.

    This stereoscopic image pair was generated using topographic data from the Shuttle Radar Topography Mission, combined with an enhanced true color Landsat7 satellite image. The topography data are used to create two differing perspectives of a single image, one perspective for each eye. In doing so, each point in the image is shifted slightly, depending on its elevation. When stereoscopically merged, the result is a vertically exaggerated view of the Earth's surface in its full three dimensions.

    Landsat satellites have provided visible light and infrared images of the Earth continuously since 1972. SRTM topographic data match the 30 meter (99 foot) spatial resolution of most Landsat images and will provide a valuable complement for studying the historic and growing Landsat data archive. The Landsat 7 Thematic Mapper image used here was provided to the SRTM project by the United States Geological Survey, Earth Resources Observation Systems (EROS) data Center, Sioux Falls, South Dakota.

    Elevation data

  15. Configural Response Learning: The Acquisition of a Nonpredictive Motor Skill

    ERIC Educational Resources Information Center

    Hazeltine, Eliot; Aparicio, Paul; Weinstein, Andrea; Ivry, Richard B.

    2007-01-01

    This study examined the representational nature of configural response learning using a task that required simultaneous keypresses with 2 or 3 fingers, similar to the production of chords on the piano. If the benefits of learning are related to the retrieval of individual stimulus-response mappings, performance should depend on the frequencies of…

  16. Self-Configuring Network Monitor

    Energy Science and Technology Software Center (ESTSC)

    2004-05-01

    Self-Configuring Network Monitor (SCNM) is a passive monitoring that can collect packet headers from any point in a network path. SCNM uses special activation packets to automatically activate monitors deployed at the layer three ingress and egress routers of the wide-area network, and at critical points within the site networks. Monitoring output data is sent back to the application data source or destination host. No modifications are required to the application or network routing infrastructuremore » in order to activate monitoring of traffic for an application. This ensures that the monitoring operation does not add a burden to the networks administrator.« less

  17. Configuration optimization of space structures

    NASA Technical Reports Server (NTRS)

    Felippa, Carlos; Crivelli, Luis A.; Vandenbelt, David

    1991-01-01

    The objective is to develop a computer aid for the conceptual/initial design of aerospace structures, allowing configurations and shape to be apriori design variables. The topics are presented in viewgraph form and include the following: Kikuchi's homogenization method; a classical shape design problem; homogenization method steps; a 3D mechanical component design example; forming a homogenized finite element; a 2D optimization problem; treatment of volume inequality constraint; algorithms for the volume inequality constraint; object function derivatives--taking advantage of design locality; stiffness variations; variations of potential; and schematics of the optimization problem.

  18. Configurational diffusion of coal macromolecules

    SciTech Connect

    Guin, J.A.; Curtis, C.W.; Tarrer, A.R.

    1990-01-01

    As shown in last quarter's report on the configurational diffusion of coal macromolecules, the hindered diffusion data for both TPP and coal macromolecules were significantly different from the theoretical correlations. In order to evaluate the factors which could lead to this difference an error analysis was conducted, and the detailed results reported herein. Generally, we did not find any errors which could account for the deviation from the theory, and thus we conclude that this deviation is real and can be ascribed to some factor not considered by the hindered diffusion theory, i.e., attractive or repulsive forces. 2 refs., 4 figs., 4 tabs.

  19. Interface Configuration Experiment: Preliminary results

    SciTech Connect

    Concus, P.; Finn, R.; Weislogel, M.

    1993-09-01

    The Interface Configuration Experiment (ICE) was carried out on USML-1 to investigate liquid-gas interfaces in certain rotationally-symmetric containers having prescribed, mathematically derived shapes. These containers have the property that they admit an entire continuum of distinct equilibrium rotationally-symmetric interfaces for a given liquid volume and contact angle. Furthermore, it can be shown that none of these interfaces can be stable. It was found, after the containers were filled in orbit, that an initial equilibrium interface from the symmetric continuum reoriented, when perturbed, to a stable interface that was not rotationally symmetric, in accordance with the mathematical theory.

  20. Interface Configuration Experiment: Preliminary Results

    NASA Technical Reports Server (NTRS)

    Concus, Paul; Finn, Robert; Weislogel, Mark

    1994-01-01

    The Interface Configuration Experiment (ICE) was carried out on USML-1 to investigate liquid-gas interfaces in certain rotationally-symmetric containers having prescribed, mathematically derived shapes. These containers have the property that they admit an entire continuum of distinct equilibrium rotationally-symmetric interfaces for a given liquid volume and contact angle. Furthermore, it can be shown that none of these interfaces can be stable. It was found, after the containers were filled in orbit, that an initial equilibrium interface from the symmetric continuum re-oriented, when perturbed, to a stable interface that was not rotationally symmetric, in accordance with the mathematical theory.

  1. Asymmetric Ion-Pairing Catalysis

    PubMed Central

    Brak, Katrien

    2014-01-01

    Charged intermediates and reagents are ubiquitous in organic transformations. The interaction of these ionic species with chiral neutral, anionic, or cationic small molecules has emerged as a powerful strategy for catalytic, enantioselective synthesis. This review describes developments in the burgeoning field of asymmetric ion-pairing catalysis with an emphasis on the insights that have been gleaned into the structural and mechanistic features that contribute to high asymmetric induction. PMID:23192886

  2. The kink-pair nucleation in edge dislocation motion

    NASA Astrophysics Data System (ADS)

    Yu, Song; Wang, Chong-Yu; Yu, Tao

    2009-03-01

    The motion of edge dislocations (EDs) and kinked EDs in body-centered cubic Fe are studied at atom level. We find the kink-pair nucleation mechanism directly from the atom configuration evolution of dislocation, the EDs move primarily by the kink-pair nucleation, and the pre-existing kink does not affect this motion mode. The result is in agreement with the energy calculation. Furthermore, the Peierls stress, dislocation velocity, and phonon-drag coefficient are discussed. There are obviously two motion regions with different stresses. In the low-stress region, the stress exercises a great influence on the dislocation motion, the dislocation velocity increase significantly with the increase of stress. In the high-stress region, however, phonon drag practice a dominant factor on the dislocation motion, the dislocation move with approximately constant speed close to the transverse speed of sound.

  3. The role of Na(+)-Ca2+ exchange in paired pulse potentiation of ferret ventricular muscle.

    PubMed Central

    Kirby, M S; McCall, E; Orchard, C H; Boyett, M R

    1993-01-01

    , the more positive the membrane potential during the second pulse of the pair. This voltage dependence is consistent with a role for the Na(+)-Ca2+ exchanger in paired pulse potentiation. 7. During paired pulse stimulation of ventricular myocytes under voltage clamp control, changes in putative Na(+)-Ca2+ exchange current were observed consistent with a decrease of Ca2+ efflux (or increase of Ca2+ influx) via the exchanger during the second pulse of the pair. 8. A computer model of excitation-contraction coupling (Harrison, McCall & Boyett, 1992) has been used to simulate paired pulse stimulation and the results described above.(ABSTRACT TRUNCATED AT 400 WORDS) Images Fig. 1 Fig. 8 PMID:8145152

  4. Estimation of the temperature dependent interaction between uncharged point defects in Si

    SciTech Connect

    Kamiyama, Eiji; Vanhellemont, Jan; Sueoka, Koji

    2015-01-15

    A method is described to estimate the temperature dependent interaction between two uncharged point defects in Si based on DFT calculations. As an illustration, the formation of the uncharged di-vacancy V{sub 2} is discussed, based on the temperature dependent attractive field between both vacancies. For that purpose, all irreducible configurations of two uncharged vacancies are determined, each with their weight given by the number of equivalent configurations. Using a standard 216-atoms supercell, nineteen irreducible configurations of two vacancies are obtained. The binding energies of all these configurations are calculated. Each vacancy is surrounded by several attractive sites for another vacancy. The obtained temperature dependent of total volume of these attractive sites has a radius that is closely related with the capture radius for the formation of a di-vacancy that is used in continuum theory. The presented methodology can in principle also be applied to estimate the capture radius for pair formation of any type of point defects.

  5. A modified coupled pair functional approach. [for dipole moment calculation of metal hydride ground states

    NASA Technical Reports Server (NTRS)

    Chong, D. P.; Langhoff, S. R.

    1986-01-01

    A modified coupled pair functional (CPF) method is presented for the configuration interaction problem that dramatically improves properties for cases where the Hartree-Fock reference configuration is not a good zeroth-order wave function description. It is shown that the tendency for CPF to overestimate the effect of higher excitations arises from the choice of the geometric mean for the partial normalization denominator. The modified method is demonstrated for ground state dipole moment calculations of the NiH, CuH, and ZnH transition metal hydrides, and compared to singles-plus-doubles configuration interaction and the Ahlrichs et al. (1984) CPF method.

  6. Technical Note: Computing numerator relationships between any pair of animals

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A simple method is described to compute the numerator relationship between any or all pairs of animals in the numerator relationship matrix. The method depends on output of the MTDFNRM program from the MTDFREML set of programs. An option of the MTDFNRM program creates a file including the inbreeding...

  7. Flutter of pairs of aerodynamically interfering delta wings.

    NASA Technical Reports Server (NTRS)

    Chipman, R. R.; Rauch, F. J.; Hess, R. W.

    1973-01-01

    To examine the effect on flutter of the aerodynamic interference between pairs of closely spaced delta wings, several structurally uncoupled 1/80th-scale models were studied by experiment and analysis. Flutter test boundaries obtained in NASA Langley's 26-in. transonic blowdown wind tunnel were compared with subsonic analytical results generated using the doublet lattice method. Trends for several combinations of vertical and longitudinal wing separation were determined, showing flutter speed significantly affected in the closely spaced configurations. A new flutter mechanism coupling one wing's first bending mode with the other wing's first torsion mode was predicted and observed.

  8. Spatial Patterns in Rydberg Excitations from Logarithmic Pair Interactions.

    PubMed

    Lechner, Wolfgang; Zoller, Peter

    2015-09-18

    The collective excitations in ensembles of dissipative, laser driven ultracold atoms exhibit crystal-like patterns, a many-body effect of the Rydberg blockade mechanism. These crystalline structures are revealed in an experiment from a postselection of configurations with fixed numbers of excitations. Here, we show that these subensembles can be well represented by ensembles of effective particles that interact via logarithmic pair potentials. This allows one to study the emergent patterns with a small number of effective particles to determine the phases of Rydberg crystals and to systematically study contributions from N-body terms. PMID:26430998

  9. Vertical and horizontal access configurations

    SciTech Connect

    Spampinato, P.T.

    1987-01-01

    A number of configuration features and maintenance operations are influenced by the choice of whether a design is based on vertical or horizontal access for replacing reactor components. The features which are impacted most include the first wall/blanket segmentation, the poloidal field coil locations, the toroidal field coil number and size, access port size for in-vessel components, and facilities. Since either configuration can be made to work, the choice between the two is not clear cut because both have certain advantages. It is apparent that there are large cost benefits in the poloidal field coil system for ideal coil locations for high elongation plasmas and marginal savings for the INTOR case. If we assume that a new tokamak design will require a higher plasma elongation, the recommendation is to arrange the poloidal field coils in a cost-effective manner while providing reasonable midplane access for heating interfaces and test modules. If a new design study is not based on a high elongation plasma, it still appears prudent to consider this approach so that in-vessel maintenance can be accomplished without moving very massive structures such as the bulk shield. 10 refs., 29 figs., 3 tabs.

  10. Computational methods for stellerator configurations

    NASA Astrophysics Data System (ADS)

    Betancourt, O.

    This project had two main objectives. The first one was to continue to develop computational methods for the study of three dimensional magnetic confinement configurations. The second one was to collaborate and interact with researchers in the field who can use these techniques to study and design fusion experiments. The first objective has been achieved with the development of the spectral code BETAS and the formulation of a new variational approach for the study of magnetic island formation in a self consistent fashion. The code can compute the correct island width corresponding to the saturated island, a result shown by comparing the computed island with the results of unstable tearing modes in Tokamaks and with experimental results in the IMS Stellarator. In addition to studying three dimensional nonlinear effects in Tokamaks configurations, these self consistent computed island equilibria will be used to study transport effects due to magnetic island formation and to nonlinearly bifurcated equilibria. The second objective was achieved through direct collaboration with Steve Hirshman at Oak Ridge, D. Anderson and R. Talmage at Wisconsin as well as through participation in the Sherwood and APS meetings.

  11. Relatedness with different interaction configurations.

    PubMed

    Taylor, Peter D; Grafen, A

    2010-02-01

    In an inclusive fitness model of social behaviour, a key concept is that of the relatedness between two interactants. This is typically calculated with reference to a "focal" actor taken to be representative of all actors, but when there are different interaction configurations, relatedness must be constructed as an average over all such configurations. We provide an example of such a calculation in an island model with local reproduction but global mortality, leading to variable island size and hence variable numbers of individual interactions. We find that the analysis of this example significantly sharpens our understanding of relatedness. As an application, we obtain a version of Hamilton's rule for a tag-based model of altruism in a randomly mixed population. For large populations, the selective advantage of altruism is enhanced by low (but not too low) tag mutation rates and large numbers of tags. For moderate population sizes and moderate numbers of tags, we find a window of tag mutation rates with critical benefit/cost ratios of between 1 and 3. PMID:19833134

  12. Microscopic description of 258Fm fission dynamic with pairing

    NASA Astrophysics Data System (ADS)

    Scamps, Guillaume; Simenel, Cédric; Lacroix, Denis

    2016-05-01

    Fission dynamic remains a challenge for nuclear microscopic theories. In order to understand the dynamic of the last stage of the fission process, the time-dependent Hartree-Fock approach with BCS pairing is applied to the describe the fission of the 258Fm. A good agreement is found for the one-body observables: the total kinetic energy and the average mass asymmetry. The non-physical dependence of two-body observables with the initial shape is discussed.

  13. Pair interactions in red-faced warblers

    USGS Publications Warehouse

    Barber, P.M.; Martin, T.E.; Smith, Kimberly G.

    1998-01-01

    Forty pairs of breeding Red-faced Warblers (Cardellina rubrifrons) were observed in 1992 and 1993 on the Mogollon Rim, Arizona. Intrusions by extra-pair males, interactions between pair members, and other pair interaction behaviors were recorded. The majority of intrusions occurred during the building stage of the nesting cycle. Males responded to intrusions during nest building by decreasing intra-pair distance. Males maintained shorter intra-pair distances by following the female when she initiated movements and by not initiating pair movements themselves. Intra-pair distances were as short or shorter during the incubation period as during nest building, and were shorter during incubation than during egg laying. Males continued to follow females beyond the expected fertile period. Possible explanations for continued mate following include: males guard their mates against predators, males guard their paternity for future nesting attempts, and males respond to extra-pair male intrusions, which continue during incubation.

  14. Tank waste remediation system configuration management plan

    SciTech Connect

    Vann, J.M.

    1998-01-08

    The configuration management program for the Tank Waste Remediation System (TWRS) Project Mission supports management of the project baseline by providing the mechanisms to identify, document, and control the functional and physical characteristics of the products. This document is one of the tools used to develop and control the mission and work. It is an integrated approach for control of technical, cost, schedule, and administrative information necessary to manage the configurations for the TWRS Project Mission. Configuration management focuses on five principal activities: configuration management system management, configuration identification, configuration status accounting, change control, and configuration management assessments. TWRS Project personnel must execute work in a controlled fashion. Work must be performed by verbatim use of authorized and released technical information and documentation. Application of configuration management will be consistently applied across all TWRS Project activities and assessed accordingly. The Project Hanford Management Contract (PHMC) configuration management requirements are prescribed in HNF-MP-013, Configuration Management Plan (FDH 1997a). This TWRS Configuration Management Plan (CMP) implements those requirements and supersedes the Tank Waste Remediation System Configuration Management Program Plan described in Vann, 1996. HNF-SD-WM-CM-014, Tank Waste Remediation System Configuration Management Implementation Plan (Vann, 1997) will be revised to implement the requirements of this plan. This plan provides the responsibilities, actions and tools necessary to implement the requirements as defined in the above referenced documents.

  15. Pairing of heterochromatin in response to cellular stress

    SciTech Connect

    Abdel-Halim, H.I.; Mullenders, L.H.F. . E-mail: L.Mullenders@lumc.nl; Boei, J.J.W.A.

    2006-07-01

    We previously reported that exposure of human cells to DNA-damaging agents (X-rays and mitomycin C (MMC)) induces pairing of the homologous paracentromeric heterochromatin of chromosome 9 (9q12-13). Here, we show that UV irradiation and also heat shock treatment of human cells lead to similar effects. Since the various agents induce very different types and frequencies of damage to cellular constituents, the data suggest a general stress response as the underlying mechanism. Moreover, local UV irradiation experiments revealed that pairing of heterochromatin is an event that can be triggered without induction of DNA damage in the heterochromatic sequences. The repair deficient xeroderma pigmentosum cells (group F) previously shown to fail pairing after MMC displayed elevated pairing after heat shock treatment but not after UV exposure. Taken together, the present results indicate that pairing of heterochromatin following exposure to DNA-damaging agents is initiated by a general stress response and that the sensing of stress or the maintenance of the paired status of the heterochromatin might be dependent on DNA repair.

  16. On magnon mediated Cooper pair formation in ferromagnetic superconductors

    SciTech Connect

    Kar, Rakesh; Paul, Bikash Chandra; Goswami, Tamal; Misra, Anirban

    2014-08-15

    Identification of pairing mechanism leading to ferromagnetic superconductivity is one of the most challenging issues in condensed matter physics. Although different models have been proposed to explain this phenomenon, a quantitative understanding about this pairing is yet to be achieved. Using the localized-itinerant model, we find that in ferromagnetic superconducting materials both triplet pairing and singlet pairing of electrons are possible through magnon exchange depending upon whether the Debye cut off frequency of magnons is greater or lesser than the Hund's coupling (J) multiplied by average spin (S) per site. Taking into account the repulsive interaction due to the existence of paramagnons, we also find an expression for effective interaction potential between a pair of electrons with opposite spins. We apply the developed formalism in case of UGe{sub 2} and URhGe. The condition of singlet pairing is found to be fulfilled in these cases, as was previously envisaged by Suhl [Suhl, Phys. Rev. Lett. 87, 167007 (2001)]. We compute the critical temperatures of URhGe at ambient pressure and of UGe{sub 2} under different pressures for the first time through BCS equation. Thus, this work outlines a very simple way to evaluate critical temperature in case of a superconducting system. A close match with the available experimental results strongly supports our theoretical treatment.

  17. Charge Aspects of Composite Pair Superconductivity

    NASA Astrophysics Data System (ADS)

    Flint, Rebecca

    2014-03-01

    Conventional Cooper pairs form from well-defined electronic quasiparticles, making the internal structure of the pair irrelevant. However, in the 115 family of superconductors, the heavy electrons are forming as they pair and the internal pair structure becomes as important as the pairing mechanism. Conventional spin fluctuation mediated pairing cannot capture the direct transition from incoherent local moments to heavy fermion superconductivity, but the formation of composite pairs favored by the two channel Kondo effect can. These composite pairs are local d-wave pairs formed by two conduction electrons in orthogonal Kondo channels screening the same local moment. Composite pairing shares the same symmetries as magnetically mediated pairing, however, only composite pairing necessarily involves a redistribution of charge within the unit cell originating from the internal pair structure, both as a monopole (valence change) and a quadrupole effect. This redistribution will onset sharply at the superconducting transition temperature. A smoking gun test for composite pairing is therefore a sharp signature at Tc - for example, a cusp in the Mossbauer isomer shift in NpPd5Al2 or in the NQR shift in (Ce,Pu)CoIn5.

  18. Database of non-canonical base pairs found in known RNA structures

    NASA Technical Reports Server (NTRS)

    Nagaswamy, U.; Voss, N.; Zhang, Z.; Fox, G. E.

    2000-01-01

    Atomic resolution RNA structures are being published at an increasing rate. It is common to find a modest number of non-canonical base pairs in these structures in addition to the usual Watson-Crick pairs. This database summarizes the occurrence of these rare base pairs in accordance with standard nomenclature. The database, http://prion.bchs.uh.edu/, contains information such as sequence context, sugar pucker conformation, anti / syn base conformations, chemical shift, p K (a)values, melting temperature and free energy. Of the 29 anticipated pairs with two or more hydrogen bonds, 20 have been encountered to date. In addition, four unexpected pairs with two hydrogen bonds have been reported bringing the total to 24. Single hydrogen bond versions of five of the expected geometries have been encountered among the single hydrogen bond interactions. In addition, 18 different types of base triplets have been encountered, each of which involves three to six hydrogen bonds. The vast majority of the rare base pairs are antiparallel with the bases in the anti configuration relative to the ribose. The most common are the GU wobble, the Sheared GA pair, the Reverse Hoogsteen pair and the GA imino pair.

  19. Preliminary design study of lunar housing configurations

    NASA Technical Reports Server (NTRS)

    Reynolds, K. H.

    1992-01-01

    A preliminary design study assesses various configurations for habitation of the lunar surface. The study assumes an initial 4-man habitation module expandable to a 48-man concept. Through the numerous coupling combinations of identical modules, five basic configuration types are identified. A design model presents each configuration in light of certain issues. The issues include circulation, internal and external spatial characteristics, functional organizations, and future growth potential. The study discusses the attributes, potentials, and unique requirements of each configuration.

  20. Three studies on configural face processing by chimpanzees

    PubMed Central

    Parr, Lisa A.; Heintz, Matthew; Akamagwuna, Unoma

    2010-01-01

    Previous studies have demonstrated the sensitivity of chimpanzees to facial configurations. Three studies further these findings by showing this sensitivity to be specific to second-order relational properties. In humans, this type of configural processing requires prolonged experience and enables subordinate-level discriminations of many individuals. Chimpanzees showed evidence of a composite-like effect for conspecific but not human faces despite extensive experience with humans. Chimpanzee face recognition was impaired only when manipulations targeted second-order properties. Finally, face processing was impaired when individual features were blurred through pixelation. Results confirm that chimpanzee face discrimination, like humans, depends on the integrity of second-order relational properties. PMID:16678323

  1. Cytoplasmic and Genomic Effects on Meiotic Pairing in Brassica Hybrids and Allotetraploids from Pair Crosses of Three Cultivated Diploids

    PubMed Central

    Cui, Cheng; Ge, Xianhong; Gautam, Mayank; Kang, Lei; Li, Zaiyun

    2012-01-01

    Interspecific hybridization and allopolyploidization contribute to the origin of many important crops. Synthetic Brassica is a widely used model for the study of genetic recombination and “fixed heterosis” in allopolyploids. To investigate the effects of the cytoplasm and genome combinations on meiotic recombination, we produced digenomic diploid and triploid hybrids and trigenomic triploid hybrids from the reciprocal crosses of three Brassica diploids (B. rapa, AA; B. nigra, BB; B. oleracea, CC). The chromosomes in the resultant hybrids were doubled to obtain three allotetraploids (B. juncea, AA.BB; B. napus, AA.CC; B. carinata, BB.CC). Intra- and intergenomic chromosome pairings in these hybrids were quantified using genomic in situ hybridization and BAC-FISH. The level of intra- and intergenomic pairings varied significantly, depending on the genome combinations and the cytoplasmic background and/or their interaction. The extent of intragenomic pairing was less than that of intergenomic pairing within each genome. The extent of pairing variations within the B genome was less than that within the A and C genomes, each of which had a similar extent of pairing. Synthetic allotetraploids exhibited nondiploidized meiotic behavior, and their chromosomal instabilities were correlated with the relationship of the genomes and cytoplasmic background. Our results highlight the specific roles of the cytoplasm and genome to the chromosomal behaviors of hybrids and allopolyploids. PMID:22505621

  2. Cytoplasmic and genomic effects on meiotic pairing in Brassica hybrids and allotetraploids from pair crosses of three cultivated diploids.

    PubMed

    Cui, Cheng; Ge, Xianhong; Gautam, Mayank; Kang, Lei; Li, Zaiyun

    2012-07-01

    Interspecific hybridization and allopolyploidization contribute to the origin of many important crops. Synthetic Brassica is a widely used model for the study of genetic recombination and "fixed heterosis" in allopolyploids. To investigate the effects of the cytoplasm and genome combinations on meiotic recombination, we produced digenomic diploid and triploid hybrids and trigenomic triploid hybrids from the reciprocal crosses of three Brassica diploids (B. rapa, AA; B. nigra, BB; B. oleracea, CC). The chromosomes in the resultant hybrids were doubled to obtain three allotetraploids (B. juncea, AA.BB; B. napus, AA.CC; B. carinata, BB.CC). Intra- and intergenomic chromosome pairings in these hybrids were quantified using genomic in situ hybridization and BAC-FISH. The level of intra- and intergenomic pairings varied significantly, depending on the genome combinations and the cytoplasmic background and/or their interaction. The extent of intragenomic pairing was less than that of intergenomic pairing within each genome. The extent of pairing variations within the B genome was less than that within the A and C genomes, each of which had a similar extent of pairing. Synthetic allotetraploids exhibited nondiploidized meiotic behavior, and their chromosomal instabilities were correlated with the relationship of the genomes and cytoplasmic background. Our results highlight the specific roles of the cytoplasm and genome to the chromosomal behaviors of hybrids and allopolyploids. PMID:22505621

  3. The power of paired genomes.

    PubMed

    Gerardo, Nicole M; Wilson, Alex C C

    2011-05-01

    Species interactions are fundamental to ecology. Classic studies of competition, predation, parasitism and mutualism between macroscopic organisms have provided a foundation for the discipline, but many of the most important and intimate ecological interactions are microscopic in scale. These microscopic interactions include those occurring between eukaryotic hosts and their microbial symbionts. Such symbioses, ubiquitous in nature, provide experimental challenges because the partners often cannot live outside the symbiosis. With respect to the symbionts, this precludes utilizing classical microbiological and genetic techniques that require in vitro cultivation. Genomics, however, has rapidly changed the study of symbioses. In this issue of Molecular Ecology, MacDonald et al. (2011), coupling symbiont whole-genome sequencing, experimental studies and metabolic modelling, provide novel insights into one of the best-studied symbioses, that between aphids and their obligate, nutrient-provisioning, intracellular bacteria, Buchnera aphidicola (Fig. 1). MacDonald and colleagues assessed variation in the ability of aphid–Buchnera pairs to thrive on artificial diets missing different amino acids. As shown previously (e.g. Wilkinson & Douglas 2003), aphid–Buchnera pairs can differ in their requirements for external sources of essential amino acids. Such phenotypic variation could result from differences in Buchnera’s amino acid biosynthetic capabilities or in the ability of aphids to interact with their symbionts. Whole-genome sequencing of the Buchnera genomes from four aphid lines with alternate nutritional phenotypes revealed that the environmental nutrients required by the aphid–Buchnera pairs could not be explained by sequence variation in the symbionts. Instead, a novel metabolic modelling approach suggested that much of the variation in nutritional phenotype could be explained by host variation in the capacity to provide necessary nutrient precursors to their

  4. 47 CFR 22.623 - System configuration.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 2 2011-10-01 2011-10-01 false System configuration. 22.623 Section 22.623... Paging and Radiotelephone Service Point-To-Multipoint Operation § 22.623 System configuration. This section requires a minimum configuration for point-to-multipoint systems using the channels listed in §...

  5. 47 CFR 22.623 - System configuration.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 2 2010-10-01 2010-10-01 false System configuration. 22.623 Section 22.623... Paging and Radiotelephone Service Point-To-Multipoint Operation § 22.623 System configuration. This section requires a minimum configuration for point-to-multipoint systems using the channels listed in §...

  6. Resolvability and the Tetrahedral Configuration of Carbon.

    ERIC Educational Resources Information Center

    Kauffman, George B.

    1983-01-01

    Discusses evidence for the tetrahedral configuration of the carbon atom, indicating that three symmetrical configurations are theoretically possible for coordination number four. Includes table indicating that resolvability of compounds of type CR'R"R"'R"" is a necessary but not sufficient condition for proving tetrahedral configuration. (JN)

  7. Passive estimation of the waveguide invariant per pair of modes.

    PubMed

    Le Gall, Yann; Bonnel, Julien

    2013-08-01

    In many oceanic waveguides, acoustic propagation is characterized by a parameter called waveguide invariant. This property is used in many passive and active sonar applications where knowledge of the waveguide invariant value is required. The waveguide invariant is classically considered as scalar but several studies show that it is better modeled by a distribution because of its dependence on frequency and mode pairs. This paper presents a new method for estimating the waveguide invariant distribution. Using the noise radiated by a distant ship and a single hydrophone, the proposed methodology allows estimating the waveguide invariant for each pair of modes in shallow water. Performance is evaluated on simulated data. PMID:23927230

  8. Landau-Zener Transitions in Frozen Pairs of Rydberg Atoms

    SciTech Connect

    Saquet, Nicolas; Cournol, Anne; Beugnon, Jerome; Robert, Jacques; Pillet, Pierre; Vanhaecke, Nicolas

    2010-04-02

    We have induced adiabatic transitions in pairs of frozen Rydberg sodium atoms of a supersonic beam. The diatomic ns+ns{yields}np+(n-1)p transition takes place in a time-dependent electric field and originates from the adiabatic change of the internal state of the pair induced by the dipole-dipole interaction. This is experimentally achieved by sweeping an electric field across the energy degeneracy ns ns-np(n-1)p. Our results fully agree with a two-level Landau-Zener model in the diatom system.

  9. Broadband photon pair generation at 3 ω/2

    NASA Astrophysics Data System (ADS)

    Suchowski, Haim; Bruner, Barry D.; Israel, Yonatan; Ganany-Padowicz, Ayelet; Arie, Ady; Silberberg, Yaron

    2016-02-01

    We experimentally demonstrate a method for creating broad bandwidth photon pairs in the visible spectral region, centered at a frequency that is higher than that of the initial pump source. Spontaneous down conversion of a narrowband 1053 nm pulsed Nd:YLF laser is followed by highly efficient upconversion in adiabatic nonlinear frequency-conversion process. Photon pairs are generated from 693 to 708 nm, and the complete conversion process occurs within a single monolithic 5-cm-long stoichiometric lithium tantalate nonlinear crystal. We have characterized the dependence of this structure with respect to pump intensity and crystal temperature.

  10. Characterization of anomalous pair currents in Josephson junction networks.

    PubMed

    Ottaviani, I; Lucci, M; Menditto, R; Merlo, V; Salvato, M; Cirillo, M; Müller, F; Weimann, T; Castellano, M G; Chiarello, F; Torrioli, G; Russo, R

    2014-05-28

    Measurements performed on superconductive networks shaped in the form of planar graphs display anomalously large currents when specific branches are biased. The temperature dependences of these currents evidence that their origin is due to Cooper pair hopping through the Josephson junctions connecting the superconductive islands of the array. The experimental data are discussed in terms of theoretical models which predict, for the system under consideration, an inhomogeneous Cooper pair distribution on the superconductive islands of the network as a consequence of a Bose-Einstein condensation phenomenon. PMID:24787550

  11. Landau-Zener transitions in frozen pairs of Rydberg atoms.

    PubMed

    Saquet, Nicolas; Cournol, Anne; Beugnon, Jérôme; Robert, Jacques; Pillet, Pierre; Vanhaecke, Nicolas

    2010-04-01

    We have induced adiabatic transitions in pairs of frozen Rydberg sodium atoms of a supersonic beam. The diatomic ns+ns-->np+(n-1)p transition takes place in a time-dependent electric field and originates from the adiabatic change of the internal state of the pair induced by the dipole-dipole interaction. This is experimentally achieved by sweeping an electric field across the energy degeneracy ns ns-np(n-1)p. Our results fully agree with a two-level Landau-Zener model in the diatom system. PMID:20481882

  12. A linked electron pair functional.

    PubMed

    Knowles, Peter J; Cooper, Bridgette

    2010-12-14

    A modification of the variational configuration interaction functional in the first-order interacting space for molecular electronic structure is presented. The modified functional is a fully linked expression that by construction is extensive and invariant to transformations of the underlying orbital basis and is exact for an ensemble of separated two-electron subsystems. In addition, an approximation to variational coupled cluster is generated through truncation of the exponential cluster operator. When combined, these methods demonstrate accuracy that exceeds that of the standard coupled-cluster method, in particular in situations where the reference Slater determinant is not a good approximation. PMID:21171682

  13. The thermodynamics and kinetics of a nucleotide base pair.

    PubMed

    Wang, Yujie; Gong, Sha; Wang, Zhen; Zhang, Wenbing

    2016-03-21

    The thermodynamic and kinetic parameters of an RNA base pair were obtained through a long-time molecular dynamics simulation of the opening-closing switch process of the base pair near its melting temperature. The thermodynamic parameters were in good agreement with the nearest-neighbor model. The opening rates showed strong temperature dependence, however, the closing rates showed only weak temperature dependence. The transition path time was weakly temperature dependent and was insensitive to the energy barrier. The diffusion constant exhibited super-Arrhenius behavior. The free energy barrier of breaking a single base stack results from the enthalpy increase, ΔH, caused by the disruption of hydrogen bonding and base-stacking interactions. The free energy barrier of base pair closing comes from the unfavorable entropy loss, ΔS, caused by the restriction of torsional angles. These results suggest that a one-dimensional free energy surface is sufficient to accurately describe the dynamics of base pair opening and closing, and the dynamics are Brownian. PMID:27004898

  14. The thermodynamics and kinetics of a nucleotide base pair

    NASA Astrophysics Data System (ADS)

    Wang, Yujie; Gong, Sha; Wang, Zhen; Zhang, Wenbing

    2016-03-01

    The thermodynamic and kinetic parameters of an RNA base pair were obtained through a long-time molecular dynamics simulation of the opening-closing switch process of the base pair near its melting temperature. The thermodynamic parameters were in good agreement with the nearest-neighbor model. The opening rates showed strong temperature dependence, however, the closing rates showed only weak temperature dependence. The transition path time was weakly temperature dependent and was insensitive to the energy barrier. The diffusion constant exhibited super-Arrhenius behavior. The free energy barrier of breaking a single base stack results from the enthalpy increase, ΔH, caused by the disruption of hydrogen bonding and base-stacking interactions. The free energy barrier of base pair closing comes from the unfavorable entropy loss, ΔS, caused by the restriction of torsional angles. These results suggest that a one-dimensional free energy surface is sufficient to accurately describe the dynamics of base pair opening and closing, and the dynamics are Brownian.

  15. Formation of metastable, heterolytic H-pairs on the RuO2(110) surface

    NASA Astrophysics Data System (ADS)

    Wei, Yinying; Martinez, Umberto; Lammich, Lutz; Besenbacher, Flemming; Wendt, Stefan

    2014-01-01

    The interaction of molecular hydrogen (H2) with the stoichiometric RuO2(110) surface was studied at various temperatures and coverages by high-resolution scanning tunneling microscopy (STM) and temperature-programmed reaction (TPR). Metastable, heterolytic H-pairs of dissociated H2 consisting of one H adsorbed on a surface Ru atom and the other H at an adjacent bridging O atom are identified. This H-pair configuration is consistent with accompanying density functional theory (DFT) calculations and spectroscopic data. We propose that such metastable, heterolytic H-pairs are a typical feature of late transition metal oxide surfaces. Furthermore, the adsorption temperature was found to be decisive for the configuration of the adsorbed hydrogen species and the sticking of H2.

  16. Isovector Pairing within the so(5) Richardson-Gaudin Exactly Solvable Model

    SciTech Connect

    Dimitrova, S S; Dukelsky, J; Gueorguiev, V G; Van Isacker, P

    2005-10-10

    Properties of a nucleon system interacting via isovector proton-neutron pairing can be described within the so(5) generalized Richardson-Gaudin exactly-solvable model [1]. We present results for a system of 12 nucleon pairs within the full f{sub p} + g{sub 9/2} shell-model space. We discuss coupling constant dependence of the pair energies, total energy of the system, and the occupation numbers.

  17. Reactor Configuration Development for ARIES-CS

    SciTech Connect

    Ku LP, the ARIES-CS Team

    2005-09-27

    New compact, quasi-axially symmetric stellarator configurations have been developed as part of the ARIES-CS reactor studies. These new configurations have good plasma confinement and transport properties, including low losses of α particles and good integrity of flux surfaces at high β. We summarize the recent progress by showcasing two attractive classes of configurationsconfigurations with judiciously chosen rotational transforms to avoid undesirable effects of low order resonances on the flux surface integrity and configurations with very small aspect ratios (∼2.5) that have excellent quasi-axisymmetry and low field ripples.

  18. Stable molecular configuration in crystalline carboxylic acids

    NASA Astrophysics Data System (ADS)

    Hayashi, Soichi; Umemura, Junzo; Nakamura, Ryoko

    1980-12-01

    The stable (lower enthalpy) molecular configurations of propionic, butyric, Jeric and lauric acids in the crystalline state have been examined via their atom-atom potentials. It was found that the cis configuration is more stable than the trans configuration for propionic, butyric and valeric acids, and that the trans configuration is more stable than the cis configuration for lauric acid, in accord with a previous IR spectral analysis. The potential energy of benzoic acid was recalculated using the positions of atoms given by Speakman, and indicates that the A form is more stable than the B form, in agreement with the results of previous work.

  19. Pair bonds: arrival synchrony in migratory birds.

    PubMed

    Gunnarsson, T G; Gill, J A; Sigurbjörnsson, T; Sutherland, W J

    2004-10-01

    Synchronous arrival of pairs of migratory birds at their breeding grounds is important for maintaining pair bonds and is achieved by pairs that remain together all year round. Here we show that arrival is also synchronized in paired individuals of a migratory shorebird, the black-tailed godwit (Limosa limosa islandica), even though they winter hundreds of kilometres apart and do not migrate together. The mechanisms required to achieve this synchrony and prevent 'divorce' illustrate the complexity of migratory systems. PMID:15470417

  20. The significance of wing end configuration in airfoil design for civil aviation aircraft

    NASA Technical Reports Server (NTRS)

    Zimmer, H.

    1979-01-01

    Lift-dependent induced drag in commercial aviation aircraft is discussed, with emphasis on the necessary compromises between wing and configuration modifications which better lift performance and the weight gains accompanying such modifications. Triangular, rectangular and elliptical configurations for wing ends are considered; attention is also given to airfoil designs incorporating winglets. Water tunnel tests of several configurations are reported. In addition, applications of wing and modifications to advanced technology commercial aviation aircraft and the Airbus A-300 are mentioned.

  1. Noise Radiation from Single and Multiple Rod Configurations

    NASA Technical Reports Server (NTRS)

    Hutcheson, Florence V.; Brooks, Thomas F.

    2006-01-01

    Acoustic measurements were performed on single and multiple rod configurations to study the effect of Reynolds number, surface roughness, freestream turbulence, proximity and wake interference on the radiated noise. The Reynolds number ranged from 3.8 x 10(exp 3) to 10(exp 5). Directivity measurements were performed to determine how well the dipole assumption for the radiation of vortex shedding noise holds for the different model configurations tested. The dependence of the peak Sound Pressure Level on velocity was also examined. Several concepts for the reduction of the noise radiating from cylindrical rods were tested. It was shown that wire wraps and collar distributions could be used to significantly reduce the noise radiating from rods in tandem configurations.

  2. Nonequilibrium dynamics of emergent field configurations

    NASA Astrophysics Data System (ADS)

    Howell, Rafael Cassidy

    The processes by which nonlinear physical systems approach thermal equilibrium is of great importance in many areas of science. Central to this is the mechanism by which energy is transferred between the many degrees of freedom comprising these systems. With this in mind, in this research the nonequilibrium dynamics of nonperturbative fluctuations within Ginzburg-Landau models are investigated. In particular, two questions are addressed. In both cases the system is initially prepared in one of two minima of a double-well potential. First, within the context of a (2 + 1) dimensional field theory, we investigate whether emergent spatio-temporal coherent structures play a dynamcal role in the equilibration of the field. We find that the answer is sensitive to the initial temperature of the system. At low initial temperatures, the dynamics are well approximated with a time-dependent mean-field theory. For higher temperatures, the strong nonlinear coupling between the modes in the field does give rise to the synchronized emergence of coherent spatio-temporal configurations, identified with oscillons. These are long-lived coherent field configurations characterized by their persistent oscillatory behavior at their core. This initial global emergence is seen to be a consequence of resonant behavior in the long wavelength modes in the system. A second question concerns the emergence of disorder in a highly viscous system modeled by a (3 + 1) dimensional field theory. An integro-differential Boltzmann equation is derived to model the thermal nucleation of precursors of one phase within the homogeneous background. The fraction of the volume populated by these precursors is computed as a function of temperature. This model is capable of describing the onset of percolation, characterizing the approach to criticality (i.e. disorder). It also provides a nonperturbative correction to the critical temperature based on the nonequilibrium dynamics of the system.

  3. Theory and computation of the attosecond dynamics of pairs of electrons excited by high-frequency short light pulses

    SciTech Connect

    Mercouris, Th.; Komninos, Y.; Nicolaides, C.A.

    2004-03-01

    By defining and solving from first principles, using the state-specific expansion approach, a time-dependent pump-probe problem with real atomic states, we show computationally that, if time resolution reaches the attosecond regime, strongly correlated electronic ''motion'' can be probed and can manifest itself in terms of time-dependent mixing of symmetry-adapted configurations. For the system that was chosen in this study, these configurations, the He 2s2p,2p3d, and 3s3p P{sup o1}, whose radials are computed by solving multiconfigurational Hartree-Fock equations, label doubly excited states (DES) of He inside the 1s{epsilon}p P{sup o1} scattering continuum and act as nonstationary states that mix, and simultaneously decay exponentially to 1s{epsilon}p P{sup o1} via the atomic Hamiltonian, H{sub A}. The herein presented theory and analysis permitted the computation of attosecond snapshots of pairs of electrons in terms of time-dependent probability distributions of the angle between the position vectors of the two electrons. The physical processes were determined by solving ab initio the time-dependent Schroedinger equation, using as initial states either the He 1s{sup 2} or the 1s2s S{sup 1} discrete states and two femtosecond Gaussian pulses of 86 fs full width at half-maximum, having frequencies in resonance with the energies of the correlated states represented by the 2s2p and 2p3d configurations. We calculated the probability of photoabsorption and of two-photon resonance ionization and of the simultaneous oscillatory mixing of the configurations 2s2p,2p3d,3s3p, and 1s{epsilon}p P{sup o1}, within the attosecond scale, via the interactions present in H{sub A}. Among the possible channels for observing the attosecond oscillations of the occupation probabilities of the DES, is the de-excitation path of the transition to the He 1s3d D{sup 1} discrete state, which emits at 6680 A.

  4. Configuring bonds between first-row transition metals.

    PubMed

    Eisenhart, Reed J; Clouston, Laura J; Lu, Connie C

    2015-11-17

    Alfred Werner, who pioneered the field of coordination chemistry, envisioned coordination complexes as a single, transition metal atom at the epicenter of a vast ligand space. The idea that the locus of a coordination complex could be shared by multiple metals held together with covalent bonds would eventually lead to the discovery of the quadruple and quintuple bond, which have no analogues outside of the transition metal block. Metal-metal bonding can be classified into homometallic and heterometallic groups. Although the former is dominant, the latter is arguably more intriguing because of the inherently larger chemical space in which metal-metal bonding can be explored. In 2013, Lu and Thomas independently reported the isolation of heterometallic multiple bonds with exclusively first-row transition metals. Structural and theoretical data supported triply bonded Fe-Cr and Fe-V cores. This Account describes our continued efforts to configure bonds between first-row transition metals from titanium to copper. Double-decker ligands, or binucleating platforms that brace two transition metals in proximity, have enabled the modular synthesis of diverse metal-metal complexes. The resulting complexes are also ideal for investigating the effects of an "ancillary" metal on the properties and reactivities of an "active" metal center. A total of 38 bimetallic complexes have been compiled comprising 18 unique metal-metal pairings. Twenty-one of these bimetallics are strictly isostructural, allowing for a systematic comparison of metal-metal bonding. The nature of the chemical bond between first-row metals is remarkably variable and depends on two primary factors: the total d-electron count, and the metals' relative d-orbital energies. Showcasing the range of covalent bonding are a quintuply bonded (d-d)(10) Mn-Cr heterobimetallic and the singly bonded late-late pairings, e.g., Fe-Co, which adopt unusually high spin states. A long-term goal is to rationally tailor the

  5. Individuation of Pairs of Objects in Infancy

    ERIC Educational Resources Information Center

    Leslie, Alan M.; Chen, Marian L.

    2007-01-01

    Looking-time studies examined whether 11-month-old infants can individuate two pairs of objects using only shape information. In order to test individuation, the object pairs were presented sequentially. Infants were familiarized either with the sequential pairs, disk-triangle/disk-triangle (XY/XY), whose shapes differed within but not across…

  6. The Associability of CVC Pairs. Research Report.

    ERIC Educational Resources Information Center

    Montague, William E.; Kiess, Harold O.

    To obtain an a priori estimate of natural language mediators (NLM's) 320 pairs of words with the consonant-vowel-consonant-pattern (CVC's) were broken into four series of 90 pairs and presented to 240 male and female undergraduates. Pairs were shown for 15 seconds while the subjects wrote down any associative device or NLM they could generate that…

  7. Three-Dimensional MHD Simulation of FTEs Produced by Merging at an Isolated Point in a Sheared Magnetic Field Configuration

    NASA Technical Reports Server (NTRS)

    Santos, J. C.; Sibeck, D. G.; Buchner, J.; Gonzalez, W. D.; Ferreira, J. L.

    2014-01-01

    We present predictions for the evolution of FTEs generated by localized bursts of reconnection on a planar magnetopause that separates a magnetosheath region of high densities and weak magnetic field from a magnetospheric region of low densities and strong magnetic field. The magnetic fields present a shear angle of 105 degrees. Reconnection forms a pair of FTEs each crossing the magnetopause in the field reversal region and bulging into the magnetosphere and magnetosheath. At their initial stage they can be characterized as flux tubes since the newly reconnected magnetic field lines are not twisted. Reconnection launches Alfvenic perturbations that propagate along the FTEs generating high-speed jets, which move the pair of FTEs in opposite directions. As the FTE moves, it displaces the ambient magnetic field and plasma producing bipolar magnetic field and plasma velocity signatures normal to the nominal magnetopause in the regions surrounding the FTE. The combination of the ambient plasma with the FTE flows generates a vortical velocity pattern around the reconnected field lines. During its evolution the FTE evolves to a flux rope configuration due to the twist of the magnetic field lines. The alfvenic perturbations propagate faster along the part of the FTE bulging into the magnetosphere than in the magnetosheath, and due to the differences between the plasma and magnetic field properties the perturbations have slightly different signatures in the two regions. As a consequence, the FTEs have different signatures depending on whether the satellite encounters the part bulging into the magnetosphere or into the magnetosheath.

  8. Is the whole the sum of its parts? Configural processing of headless bodies in the right fusiform gyrus.

    PubMed

    Soria Bauser, Denise; Suchan, Boris

    2015-03-15

    The current study aimed to explore the functional magnetic resonance (fMR)-adaption effect by presenting intact and scrambled headless bodies and faces. This fMR-adaption paradigm allows investigating processing specificity in distinct brain areas by comparing the blood-oxygen-level-dependent (BOLD) signal related to the presentation of same or different pairs of bodies. There is clear evidence that we prefer whole bodies compared to the sum of their parts. This effect refers to a subtype of configural processing termed first-order relational information. The preference for whole bodies seems to be associated with activation pattern in body-sensitive brain regions. However, it remains unclear until now, which cortical area exactly mediates this preference. In the present study, we investigated whether there are neuronal populations that show a selective adaption to whole bodies compared to the sum of their parts. The right fusiform body area (FBA) showed a preference for whole bodies compared to the sum of their parts as the right and left fusiform face area showed a preference for whole faces compared to the sum of their parts. Thus, the present data support the idea that configural body and face processing is mediated by the fusiform gyrus. The current data further support the view that bodies are a special stimulus class with specific characteristics which are processed in body-sensitive brain areas. PMID:25510195

  9. Configuration of ripple domains and their topological defects formed under local mechanical stress on hexagonal monolayer graphene

    SciTech Connect

    Park, Yeonggu; Choi, Jin Sik; Choi, Taekjib; Lee, Mi Jung; Jia, Quanxi; Park, Minwoo; Lee, Hoonkyung; Park, Bae Ho

    2015-03-24

    Ripples in graphene are extensively investigated because they ensure the mechanical stability of two-dimensional graphene and affect its electronic properties. They arise from spontaneous symmetry breaking and are usually manifested in the form of domains with long-range order. It is expected that topological defects accompany a material exhibiting long-range order, whose functionality depends on characteristics of domains and topological defects. However, there remains a lack of understanding regarding ripple domains and their topological defects formed on monolayer graphene. Here we explore configuration of ripple domains and their topological defects in exfoliated monolayer graphenes on SiO₂/Si substrates using transverse shear microscope. We observe three-color domains with three different ripple directions, which meet at a core. Furthermore, the closed domain is surrounded by an even number of cores connected together by domain boundaries, similar to topological vortex and anti-vortex pairs. In addition, we have found that axisymmetric three-color domains can be induced around nanoparticles underneath the graphene. This fascinating configuration of ripple domains may result from the intrinsic hexagonal symmetry of two-dimensional graphene, which is supported by theoretical simulation using molecular dynamics. Our findings are expected to play a key role in understanding of ripple physics in graphene and other two-dimensional materials.

  10. Configuration of ripple domains and their topological defects formed under local mechanical stress on hexagonal monolayer graphene

    DOE PAGESBeta

    Park, Yeonggu; Choi, Jin Sik; Choi, Taekjib; Lee, Mi Jung; Jia, Quanxi; Park, Minwoo; Lee, Hoonkyung; Park, Bae Ho

    2015-03-24

    Ripples in graphene are extensively investigated because they ensure the mechanical stability of two-dimensional graphene and affect its electronic properties. They arise from spontaneous symmetry breaking and are usually manifested in the form of domains with long-range order. It is expected that topological defects accompany a material exhibiting long-range order, whose functionality depends on characteristics of domains and topological defects. However, there remains a lack of understanding regarding ripple domains and their topological defects formed on monolayer graphene. Here we explore configuration of ripple domains and their topological defects in exfoliated monolayer graphenes on SiO₂/Si substrates using transverse shear microscope.more » We observe three-color domains with three different ripple directions, which meet at a core. Furthermore, the closed domain is surrounded by an even number of cores connected together by domain boundaries, similar to topological vortex and anti-vortex pairs. In addition, we have found that axisymmetric three-color domains can be induced around nanoparticles underneath the graphene. This fascinating configuration of ripple domains may result from the intrinsic hexagonal symmetry of two-dimensional graphene, which is supported by theoretical simulation using molecular dynamics. Our findings are expected to play a key role in understanding of ripple physics in graphene and other two-dimensional materials.« less

  11. Topological superconductivity and unconventional pairing in oxide interfaces

    NASA Astrophysics Data System (ADS)

    Scheurer, Mathias S.; Schmalian, Jörg

    2015-01-01

    Pinpointing the microscopic mechanism for superconductivity has proven to be one of the most outstanding challenges in the physics of correlated quantum matter. Thus far, the most direct evidence for an electronic pairing mechanism is the observation of a new symmetry of the order parameter, as done in the cuprate high-temperature superconductors. Alternatively, global, topological invariants allow for a sharp discrimination between states of matter that cannot be transformed into each other adiabatically. Here we propose an unconventional pairing state for the electron fluid in two-dimensional oxide interfaces and establish a direct link to the emergence of non-trivial topological invariants. Topological signatures, in particular Majorana edge states, can then be used to detect the microscopic origin of superconductivity. In addition, we show that also the density wave states that compete with superconductivity sensitively depend on the nature of the pairing interaction.

  12. Topological superconductivity and unconventional pairing in oxide interfaces.

    PubMed

    Scheurer, Mathias S; Schmalian, Jörg

    2015-01-01

    Pinpointing the microscopic mechanism for superconductivity has proven to be one of the most outstanding challenges in the physics of correlated quantum matter. Thus far, the most direct evidence for an electronic pairing mechanism is the observation of a new symmetry of the order parameter, as done in the cuprate high-temperature superconductors. Alternatively, global, topological invariants allow for a sharp discrimination between states of matter that cannot be transformed into each other adiabatically. Here we propose an unconventional pairing state for the electron fluid in two-dimensional oxide interfaces and establish a direct link to the emergence of non-trivial topological invariants. Topological signatures, in particular Majorana edge states, can then be used to detect the microscopic origin of superconductivity. In addition, we show that also the density wave states that compete with superconductivity sensitively depend on the nature of the pairing interaction. PMID:25629433

  13. Magnetosonic shock wave in collisional pair-ion plasma

    NASA Astrophysics Data System (ADS)

    Adak, Ashish; Sikdar, Arnab; Ghosh, Samiran; Khan, Manoranjan

    2016-06-01

    Nonlinear propagation of magnetosonic shock wave has been studied in collisional magnetized pair-ion plasma. The masses of both ions are same but the temperatures are slightly different. Two fluid model has been taken to describe the model. Two different modes of the magnetosonic wave have been obtained. The dynamics of the nonlinear magnetosonic wave is governed by the Korteweg-de Vries Burgers' equation. It has been shown that the ion-ion collision is the source of dissipation that causes the Burgers' term which is responsible for the shock structures in equal mass pair-ion plasma. The numerical investigations reveal that the magnetosonic wave exhibits both oscillatory and monotonic shock structures depending on the strength of the dissipation. The nonlinear wave exhibited the oscillatory shock wave for strong magnetic field (weak dissipation) and monotonic shock wave for weak magnetic field (strong dissipation). The results have been discussed in the context of the fullerene pair-ion plasma experiments.

  14. Effect of Electrode Configuration on Nitric Oxide Gas Sensor Behavior.

    PubMed

    Cui, Ling; Murray, Erica P

    2015-01-01

    The influence of electrode configuration on the impedancemetric response of nitric oxide (NO) gas sensors was investigated for solid electrochemical cells [Au/yttria-stabilized zirconia (YSZ)/Au)]. Fabrication of the sensors was carried out at 1050 °C in order to establish a porous YSZ electrolyte that enabled gas diffusion. Two electrode configurations were studied where Au wire electrodes were either embedded within or wrapped around the YSZ electrolyte. The electrical response of the sensors was collected via impedance spectroscopy under various operating conditions where gas concentrations ranged from 0 to 100 ppm NO and 1%-18% O₂ at temperatures varying from 600 to 700 °C. Gas diffusion appeared to be a rate-limiting mechanism in sensors where the electrode configuration resulted in longer diffusion pathways. The temperature dependence of the NO sensors studied was independent of the electrode configuration. Analysis of the impedance data, along with equivalent circuit modeling indicated the electrode configuration of the sensor effected gas and ionic transport pathways, capacitance behavior, and NO sensitivity. PMID:26404312

  15. Emotion recognition: the role of featural and configural face information.

    PubMed

    Bombari, Dario; Schmid, Petra C; Schmid Mast, Marianne; Birri, Sandra; Mast, Fred W; Lobmaier, Janek S

    2013-01-01

    Several studies investigated the role of featural and configural information when processing facial identity. A lot less is known about their contribution to emotion recognition. In this study, we addressed this issue by inducing either a featural or a configural processing strategy (Experiment 1) and by investigating the attentional strategies in response to emotional expressions (Experiment 2). In Experiment 1, participants identified emotional expressions in faces that were presented in three different versions (intact, blurred, and scrambled) and in two orientations (upright and inverted). Blurred faces contain mainly configural information, and scrambled faces contain mainly featural information. Inversion is known to selectively hinder configural processing. Analyses of the discriminability measure (A') and response times (RTs) revealed that configural processing plays a more prominent role in expression recognition than featural processing, but their relative contribution varies depending on the emotion. In Experiment 2, we qualified these differences between emotions by investigating the relative importance of specific features by means of eye movements. Participants had to match intact expressions with the emotional cues that preceded the stimulus. The analysis of eye movements confirmed that the recognition of different emotions rely on different types of information. While the mouth is important for the detection of happiness and fear, the eyes are more relevant for anger, fear, and sadness. PMID:23679155

  16. Effect of Electrode Configuration on Nitric Oxide Gas Sensor Behavior

    PubMed Central

    Cui, Ling; Murray, Erica P.

    2015-01-01

    The influence of electrode configuration on the impedancemetric response of nitric oxide (NO) gas sensors was investigated for solid electrochemical cells [Au/yttria-stabilized zirconia (YSZ)/Au)]. Fabrication of the sensors was carried out at 1050 °C in order to establish a porous YSZ electrolyte that enabled gas diffusion. Two electrode configurations were studied where Au wire electrodes were either embedded within or wrapped around the YSZ electrolyte. The electrical response of the sensors was collected via impedance spectroscopy under various operating conditions where gas concentrations ranged from 0 to 100 ppm NO and 1%–18% O2 at temperatures varying from 600 to 700 °C. Gas diffusion appeared to be a rate-limiting mechanism in sensors where the electrode configuration resulted in longer diffusion pathways. The temperature dependence of the NO sensors studied was independent of the electrode configuration. Analysis of the impedance data, along with equivalent circuit modeling indicated the electrode configuration of the sensor effected gas and ionic transport pathways, capacitance behavior, and NO sensitivity. PMID:26404312

  17. Configurational forces in solid nanostructures

    SciTech Connect

    Zhigang Suo

    2006-06-12

    The DOE grant (DE-FG02-99ER45787) to Princeton University, entitled Configurational Forces in Solid Nanostructures, was intended to cover the four-year period from September 1999 to September 2003. Effective 1 July 2003, the PI will relocate from Princeton to join the Harvard faculty. Princeton University will submit the Final Financial Report, the Final Property Report, and the Final Patent Report. The expenditures to date are $261,513 with %8,487 remaining of the awarded amount of $320,000. Harvard University will submit a request for the remaining amount. This Final Technical Report covers from the period between September 1999 to June 2003. Three Ph.D. students, Wei Lu, Yanfei Gao and Wei Hong, admitted to Princeton in the fall of 1998, 1999, 2002, respectively, have been dedicated to this project. Wei Lu earned his Ph.D. in August 2001, and is now an assistant professor at The University of Michigan, Ann Arbor. Yanfei Gao earned his Ph.D. in February 2003, and is now a post-doc at Brown University. The amount of funding covers one student at a time. All three students received first-year fellowships from Princeton University. In the Mechanical and Aerospace Engineering Department, to fulfill a doctoral degree requirement, every student serves as a teaching assistant for three semesters, for which the student is partially paid by the University.

  18. High Performance Field Reversed Configurations

    NASA Astrophysics Data System (ADS)

    Binderbauer, Michl

    2014-10-01

    The field-reversed configuration (FRC) is a prolate compact toroid with poloidal magnetic fields. FRCs could lead to economic fusion reactors with high power density, simple geometry, natural divertor, ease of translation, and possibly capable of burning aneutronic fuels. However, as in other high-beta plasmas, there are stability and confinement concerns. These concerns can be addressed by introducing and maintaining a significant fast ion population in the system. This is the approach adopted by TAE and implemented for the first time in the C-2 device. Studying the physics of FRCs driven by Neutral Beam (NB) injection, significant improvements were made in confinement and stability. Early C-2 discharges had relatively good confinement, but global power losses exceeded the available NB input power. The addition of axially streaming plasma guns, magnetic end plugs as well as advanced surface conditioning leads to dramatic reductions in turbulence driven losses and greatly improved stability. As a result, fast ion confinement significantly improved and allowed for build-up of a dominant fast particle population. Under such appropriate conditions we achieved highly reproducible, long-lived, macroscopically stable FRCs with record lifetimes. This demonstrated many beneficial effects of large orbit particles and their performance impact on FRCs Together these achievements point to the prospect of beam-driven FRCs as a path toward fusion reactors. This presentation will review and expand on key results and present context for their interpretation.

  19. Space Station-Baseline Configuration

    NASA Technical Reports Server (NTRS)

    1989-01-01

    In response to President Reagan's directive to NASA to develop a permanent marned Space Station within a decade, part of the State of the Union message to Congress on January 25, 1984, NASA and the Administration adopted a phased approach to Station development. This approach provided an initial capability at reduced costs, to be followed by an enhanced Space Station capability in the future. This illustration depicts the baseline configuration, which features a 110-meter-long horizontal boom with four pressurized modules attached in the middle. Located at each end are four photovoltaic arrays generating a total of 75-kW of power. Two attachment points for external payloads are provided along this boom. The four pressurized modules include the following: A laboratory and habitation module provided by the United States; two additional laboratories, one each provided by the European Space Agency (ESA) and Japan; and an ESA-provided Man-Tended Free Flyer, a pressurized module capable of operations both attached to and separate from the Space Station core. Canada was expected to provide the first increment of a Mobile Serving System.

  20. Skylab Components in Launch Configuration

    NASA Technical Reports Server (NTRS)

    1969-01-01

    This cutaway drawing illustrates major Skylab components in launch configuration on top of the Saturn V. In an early effort to extend the use of Apollo for further applications, NASA established the Apollo Applications Program (AAP) in August of 1965. The AAP was to include long duration Earth orbital missions during which astronauts would carry out scientific, technological, and engineering experiments in space by utilizing modified Saturn launch vehicles and the Apollo spacecraft. Established in 1970, the Skylab Program was the forerurner of the AAP. The goals of the Skylab were to enrich our scientific knowledge of the Earth, the Sun, the stars, and cosmic space; to study the effects of weightlessness on living organisms, including man; to study the effects of the processing and manufacturing of materials utilizing the absence of gravity; and to conduct Earth resource observations. The Skylab also conducted 19 selected experiments submitted by high school students. Skylab's 3 different 3-man crews spent up to 84 days in Earth orbit. The Marshall Space Flight Center (MSFC) had responsibility for developing and integrating most of the major components of the Skylab: the Orbital Workshop (OWS), Airlock Module (AM), Multiple Docking Adapter (MDA), Apollo Telescope Mount (ATM), Payload Shroud (PS), and most of the experiments. MSFC was also responsible for providing the Saturn IB launch vehicles for three Apollo spacecraft and crews and a Saturn V launch vehicle for the Skylab.

  1. RCA direct broadcast satellite configuration

    NASA Astrophysics Data System (ADS)

    Miller, R.; Buntschuh, R. F.

    System requirements and the spacecraft configuration for a DBS mission in 1986, contracted by RCA Americom, are presented. Performance features are to include a dc power of 315 W, a stationkeeping accuracy of up to 0.1 deg, a pointing accuracy of up to 0.05 deg, and continental U.S. coverage. Four on-orbit operating satellites are needed, each weighing at least 1100 kg, having antennas of about 3 m diam, six RF channels, and no eclipse operating requirements. Three-axis stabilization, a pivoted momentum wheel, hydrazine thrusters, a bipropellant liquid perigee stage, a solid apogee kick motor, Ni-Cd batteries, 230 W power amplifiers, and launch compatibility with the STS. The spacecraft length will be approximately 23 m with solar panels deployed. Feedhorns will be used on for transmissions and a switching network will be installed to optimize time zone coverage. Each spacecraft will generate over 1.38 kW of on-board RF power.

  2. Breast tomosynthesis imaging configuration analysis.

    PubMed

    Rayford, Cleveland E; Zhou, Weihua; Chen, Ying

    2013-01-01

    Traditional two-dimensional (2D) X-ray mammography is the most commonly used method for breast cancer diagnosis. Recently, a three-dimensional (3D) Digital Breast Tomosynthesis (DBT) system has been invented, which is likely to challenge the current mammography technology. The DBT system provides stunning 3D information, giving physicians increased detail of anatomical information, while reducing the chance of false negative screening. In this research, two reconstruction algorithms, Back Projection (BP) and Shift-And-Add (SAA), were used to investigate and compare View Angle (VA) and the number of projection images (N) with parallel imaging configurations. In addition, in order to better determine which method displayed better-quality imaging, Modulation Transfer Function (MTF) analyses were conducted with both algorithms, ultimately producing results which improve upon better breast cancer detection. Research studies find evidence that early detection of the disease is the best way to conquer breast cancer, and earlier detection results in the increase of life span for the affected person. PMID:23900440

  3. The distributed representation of random and meaningful object pairs in human occipitotemporal cortex: the weighted average as a general rule.

    PubMed

    Baeck, Annelies; Wagemans, Johan; Op de Beeck, Hans P

    2013-04-15

    Natural scenes typically contain multiple visual objects, often in interaction, such as when a bottle is used to fill a glass. Previous studies disagree about the representation of multiple objects and the role of object position herein, nor did they pinpoint the effect of potential interactions between the objects. In an fMRI study, we presented four single objects in two different positions and object pairs consisting of all possible combinations of the single objects. Objects pairs could form either a meaningful action configuration in which they interact with each other or a non-meaningful configuration. We found that for single objects and object pairs both identity and position were represented in multi-voxel activity patterns in LOC. The response patterns of object pairs were best predicted by a weighted average of the response patterns of the constituent objects, with the strongest single-object response (the max response) weighted more than the min response. The difference in weight between the max and the min object was larger for familiar action pairs than for other pairs when participants attended to the configuration. A weighted average thus relates the response patterns of object pairs to the response patterns of single objects, even when the objects interact. PMID:23266747

  4. A program of generation and selection of configurations for the configuration interaction method in atomic calculations SELECTCONF

    NASA Astrophysics Data System (ADS)

    Bogdanovich, P.; Karpuškienė, R.; Momkauskaitė, A.

    2005-11-01

    using the one-electron and two-electron virtual excitations. Then the averaged evaluation of their influence on the energy or wave function of the adjusted configuration is performed in the second order of perturbation theory. The results of this evaluation are used for the selection of admixed configurations. Restrictions onto the complexity of the problem:In the present version of the program the number of passive shells is restricted by MIUZ=20; the number of active shells by MIAT=10; the number of generated admixed configurations, by MECO=10000; the number of RO used, by MOR=MRO=99. All these limitations are not hard-coded and can be changed by substituting the values of the corresponding parameters. Unusual features of the program:The possibility of carrying out the averaged evaluation of the influence of admixed configurations in the second order of perturbation theory and to perform their selection on this ground. Typical running time:Several seconds. This time depends on the size of the problem: the computation time depends approximately linearly on the number of possible admixed configurations, which increases rapidly with a growing number of active shells and an extending RO basis set.

  5. Perturbations of vortex ring pairs

    NASA Astrophysics Data System (ADS)

    Gubser, Steven S.; Horn, Bart; Parikh, Sarthak

    2016-02-01

    We study pairs of coaxial vortex rings starting from the action for a classical bosonic string in a three-form background. We complete earlier work on the phase diagram of classical orbits by explicitly considering the case where the circulations of the two vortex rings are equal and opposite. We then go on to study perturbations, focusing on cases where the relevant four-dimensional transfer matrix splits into two-dimensional blocks. When the circulations of the rings have the same sign, instabilities are mostly limited to wavelengths smaller than a dynamically generated length scale at which single-ring instabilities occur. When the circulations have the opposite sign, larger wavelength instabilities can occur.

  6. Paired States of Composite Fermions

    NASA Astrophysics Data System (ADS)

    Bonesteel, N. E.

    2002-03-01

    There is compelling theoretical evidence(R. Morf, Phys. Rev. Lett. 80), 1505 (1998). that the ν=5/2 fractional quantum Hall state is a Moore-Read state(G. Moore and N. Read, Nucl. Phys. B 360), 362 (1991). -- a state which can be viewed as a spin-polarized p-wave `superconductor' of composite fermions. The question remains, how can one test this hypothesis experimentally? To address this we have developed a semi-phenomenological description of this state in which the Halperin-Lee-Read(B.I. Halperin, P.A. Lee, and N. Read, Phys. Rev. B 47), 7312 (1993). theory of the half-filled Landau level is modified by adding a p-wave pairing interaction between composite fermions by hand. The electromagnetic response functions for the resulting mean-field superconducting state are then calculated and used in an RPA calculation of the physical electronic response. For a clean enough sample, and for q << k_f, the transverse electromagnetic response function for composite fermions is governed by type-II coherence factors and shows a `Hebel-Slichter'-like peak as a function of temperature for low enough frequency. The possibility (and potential difficulties) of observing this peak indirectly in surface-acoustic-wave propagation experiments will be discussed. The observation of such a coherence peak would provide strong evidence of BCS pairing in the 5/2 state. Work supported by US DOE Grant No. DE-FG02-97ER45639. Work done in collaboration with K.C. Foster (FSU) and S.H. Simon (Lucent). note

  7. Homologue pairing, recombination and segregation in Caenorhabditis elegans.

    PubMed

    Zetka, M

    2009-01-01

    Meiosis in the free-living, hermaphroditic nematode Caenorhabditis elegans is marked by the same highly conserved features observed in other sexually reproducing systems. Accurate chromosome segregation at the meiotic divisions depends on earlier landmark events of meiotic prophase, including the pairing of homologous chromosomes, synapsis between them, and the formation of crossovers. Dissection of these processes has revealed a unique simplification of meiotic mechanisms that impact the interpretation of meiotic chromosome behaviour in more complex systems. Chromosome sites required for chromosome pairing are consolidated to one end of each chromosome, the many sites of recombination initiation are resolved into a single crossover for each chromosome pair, and the diffuse (holocentric) kinetic activity that extends along the length of the mitotic chromosomes is reduced to a single end of each meiotic chromosome. Consequently, studies from the nematode have illuminated and challenged long-standing concepts of homologue pairing mechanisms, crossover interference, and kinetochore structure. Because chromosome pairing, synapsis, and recombination can proceed independently of one another, C. elegans has provided a simplified system for studying these processes and the mechanisms mediating their coordination during meiosis. This review covers the major features of C. elegans meiosis with emphasis on its contributions to understanding essential meiotic processes. PMID:18948706

  8. New longitudinal mode and compression of pair ions in plasma

    NASA Astrophysics Data System (ADS)

    Ehsan, Zahida; Tsintsadze, N. L.; Shah, H. A.; Trines, R. M. G. M.; Imran, Muhammad

    2016-06-01

    Positive and negative ions forming the so-called pair plasma differing in sign of their charge but asymmetric in mass and temperature support a new acoustic-like mode. The condition for the excitation of ion sound wave through electron beam induced Cherenkov instability is also investigated. This beam can generate a perturbation in the pair ion plasmas in the presence of electrons when there is number density, temperature, and mass difference in the two species of ions. Basic emphasis is on the focusing of ion sound waves, and we show how, in the area of localization of wave energy, the density of pair particles increases while electrons are pushed away from that region. Further, this localization of wave is dependent on the shape of the pulse. Considering the example of pancake and bullet shaped pulses, we find that only the former leads to compression of pair ions in the supersonic regime of the focusing region. Here, possible existence of regions where pure pair particles can exist may also be speculated which is not only useful from academic point of view but also to mimic the situation of plasma (electron positron asymmetric and symmetric) observed in astrophysical environment.

  9. Stellar kinematics of elliptical galaxies in pairs

    NASA Technical Reports Server (NTRS)

    Madejsky, Rainer; Bender, Ralf

    1990-01-01

    In both galaxy pairs Arp 166 and 3C 278 the authors find radially increasing velocity dispersions indicating a perturbed, non-equilibrium state of the galaxies after the tidal interaction. In all galaxies, the increase is most pronounced in the regions which correspond to the centers of the outer isophotes. The authors suggest a scenario in which the galaxies are strongly decelerated on their orbits during the encounter. The deceleration depends on the radial position in the perturbed galaxy and vanishes in the center of the perturbed galaxy (Spitzer, 1958). In addition, the crossing time of the stars near the center is very short, implying that the tidal perturbations can be averaged over several orbital periods (e.g., Binney and Tremaine, 1987). In consequence, the central parts are not affected by the tidal interaction while the outer parts are strongly decelerated. This leads to a displacement of the central parts of the galaxies with respect to their envelopes in an anti-symmetrical way for the two components of each galaxy pair. The motions of the central parts subsequently are opposed by dynamical friction with the surrounding envelopes. Due to dynamical friction, the density of the stars increases in the wakes of the moving central parts (Mulder, 1983). The overdensity of stars in the wakes of the moving central parts efficiently decelerates the motions of the central parts. The reaction of the stars in the overdensity regions leads to an increase of the velocity dispersion mainly along the orbits of the moving central parts. The presented observations, especially the asymmetrical luminosity profiles and the radially increasing velocity dispersions support consistently the above scenario of tidal interaction between galaxies. Further spectroscopic observations are necessary in order to investigate the degree of anisotropy in the kinematically perturbed regions.

  10. Pair Cascades in Blazars and Radio Galaxies

    NASA Astrophysics Data System (ADS)

    Roustazadeh Sheikhyousefi, Parisa

    2012-05-01

    magnetic field in the AGN environment, secondary particles produced by gamma-gamma absorption can be isotropized. I suggested that the Compton emission from VHE gamma-ray induced pair cascades can explain the detection of radio galaxies as high energy sources. I presented fits to the the Fermi fluxes and spectra of the radio galaxies Cen A and NGC 1275. In the last part of my Ph. D. research work, I developed my Monte-Carlo code to include energy loss of particles by synchrotron radiation between to successive Compton scatterings and the angle dependence of the synchrotron output from the cascade. This can be important for situations when the magnetic field in the AGN environment is not negligible. I showed that the synchrotron radiation from the cascades in the radio galaxies NGC 1275 and Cen A with the parameters used in my first and second paper are much smaller than the synchrotron radiation from the jets and neglecting synchrotron radiation in those works is justified. I found that the magnetic field can not be determined from a fit of the cascade emission to the gamma-ray spectrum alone. I studied this scenario for the case of NGC 1275 and showed that the degeneracy of the magnetic field can only be lifted if the synchrotron emission from the cascade is observed as well. I suggest that the big blue bump (BBB) observed in the spectral energy distribution (SED) of several blazars can be due to the synchrotron radiation from cascades. This can be an alternative explanation of the BBB signature and I illustrate this idea on the blazar 3C 279. I have investigated the apparent absorption feature observed in the SEDs of some blazars such as W Comae and S5 0716+714 in the 10-100 GeV energy range and point out that this can be due to gamma-gamma absorption of primary gamma-ray photons by soft photons from the BLR or dust torus. During this study, I participated in three observing runs at the MDM observatory on Kitt Peak near Tucson, Arizona and I monitored the optical

  11. Formation energies and equilibrium configurations of dislocation arrays with alternating Burgers vectors in layered heterostructures

    NASA Astrophysics Data System (ADS)

    Feng, Gang; Freund, L. B.

    2010-06-01

    Cubic layered heterostructures are indispensable features of many electronic devices; however, the lattice mismatch tends to induce defects, e.g. dislocations. Glissile 60° misfit dislocations (MDs) generally form in the early stage of strain relaxation. During annealing, each relaxing 60° dislocation compensated-pair (60DCP) (with canceling screw and interface-perpendicular edge components) may coalesce into a 90° (pure edge) dislocation, which is a possible mechanism for the reduction of threading dislocations (TDs) through annealing. In this paper, we calculate the formation energies of periodic one-dimensional (1D) and two-dimensional (2D) arrays on the basis of linear elasticity. Each 1D 60DCP array always has lower energy than its homogeneous counterpart. The situation of each 2D array (containing two mutually orthogonal 1D arrays) depends on the period difference δ between the two individual 1D arrays and the film thickness. If δ=0, each 2D 60DCP array has higher energy than its homogeneous counterpart, whereas the 2D 60DCP array is energetically more favorable for a larger δ and/or a thicker film. The analysis suggests a semiconductor-processing strategy to obtain 90° dislocation-dominant arrays and to reduce TDs. Furthermore, based on the criterion of zero energy change by inserting the last dislocation to complete an array, we calculate the equilibrium array period for various configurations, implying possible strain over-relaxation (>100%-relaxed condition) for a sufficiently thick film.

  12. Broadband energy harvesting using nonlinear 2-DOF configuration

    NASA Astrophysics Data System (ADS)

    Wu, Hao; Tang, Lihua; Avvari, Panduranga Vittal; Yang, Yaowen; Soh, Chee Kiong

    2013-04-01

    Vibration energy harvesting using piezoelectric material has received great research interest in the recent years. To enhance the performance of piezoelectric energy harvesters, one important concern is to increase their operating bandwidth. Various techniques have been proposed for broadband energy harvesting, such as the resonance tuning approach, the frequency up-conversion technique, the multi-modal harvesting and the nonlinear technique. Usually, a nonlinear piezoelectric energy harvester can be easily developed by introducing a magnetic field. Either mono-stable or bi-stable response can be achieved using different magnetic configurations. However, most of the research work for nonlinear piezoelectric energy harvesting has focused on the SDOF cantilever beam. A recently reported linear 2-DOF harvester can achieve two close resonant frequencies with significant power outputs. However, for this linear configuration, although a broader bandwidth can be achieved, there exists a deep valley in-between the two response peaks. The presence of the valley will greatly deteriorate the performance of the energy harvester. To overcome this limitation, a nonlinear 2-DOF piezoelectric energy harvester is proposed in this article. This nonlinear harvester is developed from its linear counterpart by incorporating a magnetic field using a pair of magnets. Experimental parametric study is carried out to investigate the behavior of such harvester. With different configurations, both mono-stable and bi-stable behaviors are observed and studied. An optimal configuration of the nonlinear harvester is thus obtained, which can achieve significantly wider bandwidth than the linear 2-DOF harvester and at the same time overcome its limitation.

  13. Resonance effects indicate radical pair mechanism for avian magnetic compass

    NASA Astrophysics Data System (ADS)

    Ritz, Thorsten

    2005-03-01

    Migratory birds possess a physiological magnetic compass that helps them to find north during their migratory flights, but the mechanism underlying this ability is not understood. In vitro experiments show that two types of mechanisms are in principle capable of detecting earth-strength magnetic fields in biological systems: the use of biological magnetic materials such as magnetite crystals, or magnetically sensitive chemical reactions. We have recently demonstrated that oscillating magnetic fields can provide a viable diagnostic test to identify the existence of a radical-pair mechanism as they will not affect the properties of magnetite-based sensors, but disrupt a radical-pair based mechanism through resonance effects. European robins, a species of migratory birds, were disoriented in a magnetic orientation test when a very weak (100 nT) oscillating field of 1.3 or 7 MHz was added to the geomagnetic field. Moreover, the effect of the oscillating field depended on the alignment of oscillating field with the geomagnetic field and showed an intensity dependence consistent with theoretical expectations from the radical pair mechanism, thereby providing evidence for the existence of a radical-pair mechanism in birds. We will discuss future avenues of research towards identifying not only the mechanism, but also the chemical nature of the receptors underlying magnetoreception, and in particular the photoreceptor chryptochrome, an emerging candidate for the long sought after magnetoreceptor.

  14. Multi-user distribution of polarization entangled photon pairs

    NASA Astrophysics Data System (ADS)

    Trapateau, J.; Ghalbouni, J.; Orieux, A.; Diamanti, E.; Zaquine, I.

    2015-10-01

    We experimentally demonstrate multi-user distribution of polarization entanglement using commercial telecom wavelength division demultiplexers. The entangled photon pairs are generated from a broadband source based on spontaneous parametric down conversion in a periodically poled lithium niobate crystal using a double path setup employing a Michelson interferometer and active phase stabilisation. We test and compare demultiplexers based on various technologies and analyze the effect of their characteristics, such as losses and polarization dependence, on the quality of the distributed entanglement for three channel pairs of each demultiplexer. In all cases, we obtain a Bell inequality violation, whose value depends on the demultiplexer features. This demonstrates that entanglement can be distributed to at least three user pairs of a network from a single source. Additionally, we verify for the best demultiplexer that the violation is maintained when the pairs are distributed over a total channel attenuation corresponding to 20 km of optical fiber. These techniques are therefore suitable for resource-efficient practical implementations of entanglement-based quantum key distribution and other quantum communication network applications.

  15. Multi-user distribution of polarization entangled photon pairs

    SciTech Connect

    Trapateau, J.; Orieux, A.; Diamanti, E.; Zaquine, I.; Ghalbouni, J.

    2015-10-14

    We experimentally demonstrate multi-user distribution of polarization entanglement using commercial telecom wavelength division demultiplexers. The entangled photon pairs are generated from a broadband source based on spontaneous parametric down conversion in a periodically poled lithium niobate crystal using a double path setup employing a Michelson interferometer and active phase stabilisation. We test and compare demultiplexers based on various technologies and analyze the effect of their characteristics, such as losses and polarization dependence, on the quality of the distributed entanglement for three channel pairs of each demultiplexer. In all cases, we obtain a Bell inequality violation, whose value depends on the demultiplexer features. This demonstrates that entanglement can be distributed to at least three user pairs of a network from a single source. Additionally, we verify for the best demultiplexer that the violation is maintained when the pairs are distributed over a total channel attenuation corresponding to 20 km of optical fiber. These techniques are therefore suitable for resource-efficient practical implementations of entanglement-based quantum key distribution and other quantum communication network applications.

  16. Investigation of α-Thioglycoside Donors: Reactivity Studies toward Configuration-Controlled Orthogonal Activation in One-Pot Systems.

    PubMed

    Smith, Raymond; Müller-Bunz, Helge; Zhu, Xiangming

    2016-08-01

    The influence of anomeric configuration upon thioglycoside donors remains relatively unexplored. Utilizing methodology developed for the stereoselective and high-yielding synthesis of α-glycosyl thiols, a series of α-thioglycosides were synthesized, and their reactivity was compared to that of their β-counterparts. The highly selective activation observed for anomeric pairs containing a 2-O-acyl moiety and additional findings are reported. Application of a pair of "superarmed" thioglycosides to a one-pot oligosaccharide system is also described, in which selectivity is a result of configuration-based orthogonal activation. PMID:27399930

  17. Metrics for measuring distances in configuration spaces.

    PubMed

    Sadeghi, Ali; Ghasemi, S Alireza; Schaefer, Bastian; Mohr, Stephan; Lill, Markus A; Goedecker, Stefan

    2013-11-14

    In order to characterize molecular structures we introduce configurational fingerprint vectors which are counterparts of quantities used experimentally to identify structures. The Euclidean distance between the configurational fingerprint vectors satisfies the properties of a metric and can therefore safely be used to measure dissimilarities between configurations in the high dimensional configuration space. In particular we show that these metrics are a perfect and computationally cheap replacement for the root-mean-square distance (RMSD) when one has to decide whether two noise contaminated configurations are identical or not. We introduce a Monte Carlo approach to obtain the global minimum of the RMSD between configurations, which is obtained from a global minimization over all translations, rotations, and permutations of atomic indices. PMID:24320265

  18. Metrics for measuring distances in configuration spaces

    SciTech Connect

    Sadeghi, Ali Ghasemi, S. Alireza; Schaefer, Bastian; Mohr, Stephan; Goedecker, Stefan; Lill, Markus A.

    2013-11-14

    In order to characterize molecular structures we introduce configurational fingerprint vectors which are counterparts of quantities used experimentally to identify structures. The Euclidean distance between the configurational fingerprint vectors satisfies the properties of a metric and can therefore safely be used to measure dissimilarities between configurations in the high dimensional configuration space. In particular we show that these metrics are a perfect and computationally cheap replacement for the root-mean-square distance (RMSD) when one has to decide whether two noise contaminated configurations are identical or not. We introduce a Monte Carlo approach to obtain the global minimum of the RMSD between configurations, which is obtained from a global minimization over all translations, rotations, and permutations of atomic indices.

  19. Competing reaction model with many absorbing configurations.

    PubMed

    de Andrade, M F; Figueiredo, W

    2010-02-01

    We study a competitive reaction model between two monomers A and B on a linear lattice. We assume that monomer A can react with a nearest-neighbor monomer A or B , but reactions between monomers of type B are prohibited. We include in our model lateral interactions between monomers as well as the effects of temperature of the catalyst. The model is considered in the adsorption controlled limit, where the reaction rate is infinitely larger than the adsorption rate of the monomers. We employ site and pair mean-field approximations as well as static Monte Carlo simulations. We determine the phase diagram of the model in the plane y_{A} versus temperature, where y_{A} is the probability that a monomer of the type A arrives at the surface. This phase diagram shows regions of active and absorbing states separated by a line of continuous phase transitions. Despite the absorbing state of the model to be strongly dependent on temperature, we show that the static critical exponents of the model belong to the same universality class of the directed percolation. PMID:20365537

  20. Hydrophobic, Non-Hydrogen-Bonding Bases and Base Pairs in DNA

    PubMed Central

    Schweitzer, Barbara A.; Kool, Eric T.

    2009-01-01

    We report the properties of hydrophobic isosteres of pyrimidines and purines in synthetic DNA duplexes. Phenyl nucleosides 1 and 2 are nonpolar isosteres of the natural thymidine nucleoside, and indole nucleoside 3 is an analog of the complementary purine 2-aminodeoxyadenosine. The nucleosides were incorporated into synthetic oligodeoxynucleotides and were paired against each other and against the natural bases. Thermal denaturation experiments were used to measure the stabilities of the duplexes at neutral pH. It is found that the hydrophobic base analogs are nonselective in pairing with the four natural bases but selective for pairing with each other rather than with the natural bases. For example, compound 2 selectively pairs with itself rather than with A, T, G, or C; the magnitude of this selectivity is found to be 6.5–9.3 °C in Tm or 1.5–1.8 kcal/mol in free energy (25 °C). All possible hydrophobic pairing combinations of 1, 2, and 3 were examined. Results show that the pairing affinity depends on the nature of the pairs and on position in the duplex. The highest affinity pairs are found to be the 1–1 and 2–2 self-pairs and the 1–2 heteropair. The best stabilization occurs when the pairs are placed at the ends of duplexes rather than internally; the internal pairs may be destabilized by imperfect steric mimicry which leads to non-ideal duplex structure. In some cases the hydrophobic pairs are significantly stabilizing to the DNA duplex; for example, when situated at the end of a duplex, the 1–1 pair is more stabilizing than a T–A pair. When situated internally, the affinity of the 1–1 pair is the same as, or slightly better than, the analogous T–T mismatch pair, which is known to have two hydrogen bonds. The studies raise the possibility that hydrogen bonds may not always be required for the formation of stable duplex DNA-like structure. In addition, the results point out the importance of solvation and desolvation in natural base pairing