Sample records for pair natural orbitals

  1. Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method

    NASA Astrophysics Data System (ADS)

    Neese, Frank; Wennmohs, Frank; Hansen, Andreas

    2009-03-01

    Coupled-electron pair approximations (CEPAs) and coupled-pair functionals (CPFs) have been popular in the 1970s and 1980s and have yielded excellent results for small molecules. Recently, interest in CEPA and CPF methods has been renewed. It has been shown that these methods lead to competitive thermochemical, kinetic, and structural predictions. They greatly surpass second order Møller-Plesset and popular density functional theory based approaches in accuracy and are intermediate in quality between CCSD and CCSD(T) in extended benchmark studies. In this work an efficient production level implementation of the closed shell CEPA and CPF methods is reported that can be applied to medium sized molecules in the range of 50-100 atoms and up to about 2000 basis functions. The internal space is spanned by localized internal orbitals. The external space is greatly compressed through the method of pair natural orbitals (PNOs) that was also introduced by the pioneers of the CEPA approaches. Our implementation also makes extended use of density fitting (or resolution of the identity) techniques in order to speed up the laborious integral transformations. The method is called local pair natural orbital CEPA (LPNO-CEPA) (LPNO-CPF). The implementation is centered around the concepts of electron pairs and matrix operations. Altogether three cutoff parameters are introduced that control the size of the significant pair list, the average number of PNOs per electron pair, and the number of contributing basis functions per PNO. With the conservatively chosen default values of these thresholds, the method recovers about 99.8% of the canonical correlation energy. This translates to absolute deviations from the canonical result of only a few kcal mol-1. Extended numerical test calculations demonstrate that LPNO-CEPA (LPNO-CPF) has essentially the same accuracy as parent CEPA (CPF) methods for thermochemistry, kinetics, weak interactions, and potential energy surfaces but is up to 500

  2. Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method.

    PubMed

    Neese, Frank; Wennmohs, Frank; Hansen, Andreas

    2009-03-21

    Coupled-electron pair approximations (CEPAs) and coupled-pair functionals (CPFs) have been popular in the 1970s and 1980s and have yielded excellent results for small molecules. Recently, interest in CEPA and CPF methods has been renewed. It has been shown that these methods lead to competitive thermochemical, kinetic, and structural predictions. They greatly surpass second order Moller-Plesset and popular density functional theory based approaches in accuracy and are intermediate in quality between CCSD and CCSD(T) in extended benchmark studies. In this work an efficient production level implementation of the closed shell CEPA and CPF methods is reported that can be applied to medium sized molecules in the range of 50-100 atoms and up to about 2000 basis functions. The internal space is spanned by localized internal orbitals. The external space is greatly compressed through the method of pair natural orbitals (PNOs) that was also introduced by the pioneers of the CEPA approaches. Our implementation also makes extended use of density fitting (or resolution of the identity) techniques in order to speed up the laborious integral transformations. The method is called local pair natural orbital CEPA (LPNO-CEPA) (LPNO-CPF). The implementation is centered around the concepts of electron pairs and matrix operations. Altogether three cutoff parameters are introduced that control the size of the significant pair list, the average number of PNOs per electron pair, and the number of contributing basis functions per PNO. With the conservatively chosen default values of these thresholds, the method recovers about 99.8% of the canonical correlation energy. This translates to absolute deviations from the canonical result of only a few kcal mol(-1). Extended numerical test calculations demonstrate that LPNO-CEPA (LPNO-CPF) has essentially the same accuracy as parent CEPA (CPF) methods for thermochemistry, kinetics, weak interactions, and potential energy surfaces but is up to 500

  3. An efficient and near linear scaling pair natural orbital based local coupled cluster method.

    PubMed

    Riplinger, Christoph; Neese, Frank

    2013-01-21

    In previous publications, it was shown that an efficient local coupled cluster method with single- and double excitations can be based on the concept of pair natural orbitals (PNOs) [F. Neese, A. Hansen, and D. G. Liakos, J. Chem. Phys. 131, 064103 (2009)]. The resulting local pair natural orbital-coupled-cluster single double (LPNO-CCSD) method has since been proven to be highly reliable and efficient. For large molecules, the number of amplitudes to be determined is reduced by a factor of 10(5)-10(6) relative to a canonical CCSD calculation on the same system with the same basis set. In the original method, the PNOs were expanded in the set of canonical virtual orbitals and single excitations were not truncated. This led to a number of fifth order scaling steps that eventually rendered the method computationally expensive for large molecules (e.g., >100 atoms). In the present work, these limitations are overcome by a complete redesign of the LPNO-CCSD method. The new method is based on the combination of the concepts of PNOs and projected atomic orbitals (PAOs). Thus, each PNO is expanded in a set of PAOs that in turn belong to a given electron pair specific domain. In this way, it is possible to fully exploit locality while maintaining the extremely high compactness of the original LPNO-CCSD wavefunction. No terms are dropped from the CCSD equations and domains are chosen conservatively. The correlation energy loss due to the domains remains below <0.05%, which implies typically 15-20 but occasionally up to 30 atoms per domain on average. The new method has been given the acronym DLPNO-CCSD ("domain based LPNO-CCSD"). The method is nearly linear scaling with respect to system size. The original LPNO-CCSD method had three adjustable truncation thresholds that were chosen conservatively and do not need to be changed for actual applications. In the present treatment, no additional truncation parameters have been introduced. Any additional truncation is performed on

  4. Communication: Exact analytical derivatives for the domain-based local pair natural orbital MP2 method (DLPNO-MP2)

    NASA Astrophysics Data System (ADS)

    Pinski, Peter; Neese, Frank

    2018-01-01

    Electron correlation methods based on pair natural orbitals (PNOs) have gained an increasing degree of interest in recent years, as they permit energy calculations to be performed on systems containing up to many hundred atoms, while maintaining chemical accuracy for reaction energies. We present an approach for taking exact analytical first derivatives of the energy contributions in the simplest method of the family of Domain-based Local Pair Natural Orbital (DLPNO) methods, closed-shell DLPNO-MP2. The Lagrangian function contains constraints to account for the relaxation of PNOs. RI-MP2 reference geometries are reproduced accurately, as exemplified for four systems with a substantial degree of nonbonding interactions. By the example of electric field gradients, we demonstrate that omitting PNO-specific constraints can lead to dramatic errors for orbital-relaxed properties.

  5. Orbital-selective pairing and superconductivity in iron selenides

    NASA Astrophysics Data System (ADS)

    Nica, Emilian M.; Yu, Rong; Si, Qimiao

    2017-12-01

    An important challenge in condensed matter physics is understanding iron-based superconductors. Among these systems, the iron selenides hold the record for highest superconducting transition temperature and pose especially striking puzzles regarding the nature of superconductivity. The pairing state of the alkaline iron selenides appears to be of d-wave type based on the observation of a resonance mode in neutron scattering, while it seems to be of s-wave type from the nodeless gaps observed everywhere on the Fermi surface. Here we propose an orbital-selective pairing state, dubbed sτ3, as a natural explanation of these disparate properties. The pairing function, containing a matrix τ3 in the basis of 3d-electron orbitals, does not commute with the kinetic part of the Hamiltonian. This dictates the existence of both intraband and interband pairing terms in the band basis. A spin resonance arises from a d-wave-type sign change in the intraband pairing component, whereas the quasiparticle excitation is fully gapped on the FS due to an s-wave-like form factor associated with the addition in quadrature of the intraband and interband pairing terms. We demonstrate that this pairing state is energetically favored when the electron correlation effects are orbitally selective. More generally, our results illustrate how the multiband nature of correlated electrons affords unusual types of superconducting states, thereby shedding new light not only on the iron-based materials but also on a broad range of other unconventional superconductors such as heavy fermion and organic systems.

  6. Analytic energy derivatives for the calculation of the first-order molecular properties using the domain-based local pair-natural orbital coupled-cluster theory

    NASA Astrophysics Data System (ADS)

    Datta, Dipayan; Kossmann, Simone; Neese, Frank

    2016-09-01

    The domain-based local pair-natural orbital coupled-cluster (DLPNO-CC) theory has recently emerged as an efficient and powerful quantum-chemical method for the calculation of energies of molecules comprised of several hundred atoms. It has been demonstrated that the DLPNO-CC approach attains the accuracy of a standard canonical coupled-cluster calculation to about 99.9% of the basis set correlation energy while realizing linear scaling of the computational cost with respect to system size. This is achieved by combining (a) localized occupied orbitals, (b) large virtual orbital correlation domains spanned by the projected atomic orbitals (PAOs), and (c) compaction of the virtual space through a truncated pair natural orbital (PNO) basis. In this paper, we report on the implementation of an analytic scheme for the calculation of the first derivatives of the DLPNO-CC energy for basis set independent perturbations within the singles and doubles approximation (DLPNO-CCSD) for closed-shell molecules. Perturbation-independent one-particle density matrices have been implemented in order to account for the response of the CC wave function to the external perturbation. Orbital-relaxation effects due to external perturbation are not taken into account in the current implementation. We investigate in detail the dependence of the computed first-order electrical properties (e.g., dipole moment) on the three major truncation parameters used in a DLPNO-CC calculation, namely, the natural orbital occupation number cutoff used for the construction of the PNOs, the weak electron-pair cutoff, and the domain size cutoff. No additional truncation parameter has been introduced for property calculation. We present benchmark calculations on dipole moments for a set of 10 molecules consisting of 20-40 atoms. We demonstrate that 98%-99% accuracy relative to the canonical CCSD results can be consistently achieved in these calculations. However, this comes with the price of tightening the

  7. Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitals

    NASA Astrophysics Data System (ADS)

    Hansen, Andreas; Liakos, Dimitrios G.; Neese, Frank

    2011-12-01

    A production level implementation of the high-spin open-shell (spin unrestricted) single reference coupled pair, quadratic configuration interaction and coupled cluster methods with up to doubly excited determinants in the framework of the local pair natural orbital (LPNO) concept is reported. This work is an extension of the closed-shell LPNO methods developed earlier [F. Neese, F. Wennmohs, and A. Hansen, J. Chem. Phys. 130, 114108 (2009), 10.1063/1.3086717; F. Neese, A. Hansen, and D. G. Liakos, J. Chem. Phys. 131, 064103 (2009), 10.1063/1.3173827]. The internal space is spanned by localized orbitals, while the external space for each electron pair is represented by a truncated PNO expansion. The laborious integral transformation associated with the large number of PNOs becomes feasible through the extensive use of density fitting (resolution of the identity (RI)) techniques. Technical complications arising for the open-shell case and the use of quasi-restricted orbitals for the construction of the reference determinant are discussed in detail. As in the closed-shell case, only three cutoff parameters control the average number of PNOs per electron pair, the size of the significant pair list, and the number of contributing auxiliary basis functions per PNO. The chosen threshold default values ensure robustness and the results of the parent canonical methods are reproduced to high accuracy. Comprehensive numerical tests on absolute and relative energies as well as timings consistently show that the outstanding performance of the LPNO methods carries over to the open-shell case with minor modifications. Finally, hyperfine couplings calculated with the variational LPNO-CEPA/1 method, for which a well-defined expectation value type density exists, indicate the great potential of the LPNO approach for the efficient calculation of molecular properties.

  8. Pair 2-electron reduced density matrix theory using localized orbitals

    NASA Astrophysics Data System (ADS)

    Head-Marsden, Kade; Mazziotti, David A.

    2017-08-01

    Full configuration interaction (FCI) restricted to a pairing space yields size-extensive correlation energies but its cost scales exponentially with molecular size. Restricting the variational two-electron reduced-density-matrix (2-RDM) method to represent the same pairing space yields an accurate lower bound to the pair FCI energy at a mean-field-like computational scaling of O (r3) where r is the number of orbitals. In this paper, we show that localized molecular orbitals can be employed to generate an efficient, approximately size-extensive pair 2-RDM method. The use of localized orbitals eliminates the substantial cost of optimizing iteratively the orbitals defining the pairing space without compromising accuracy. In contrast to the localized orbitals, the use of canonical Hartree-Fock molecular orbitals is shown to be both inaccurate and non-size-extensive. The pair 2-RDM has the flexibility to describe the spectra of one-electron RDM occupation numbers from all quantum states that are invariant to time-reversal symmetry. Applications are made to hydrogen chains and their dissociation, n-acene from naphthalene through octacene, and cadmium telluride 2-, 3-, and 4-unit polymers. For the hydrogen chains, the pair 2-RDM method recovers the majority of the energy obtained from similar calculations that iteratively optimize the orbitals. The localized-orbital pair 2-RDM method with its mean-field-like computational scaling and its ability to describe multi-reference correlation has important applications to a range of strongly correlated phenomena in chemistry and physics.

  9. Orbital selective pairing and gap structures of iron-based superconductors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kreisel, Andreas; Andersen, Brian M.; Sprau, P. O.

    We discuss the in uence on spin-fluctuation pairing theory of orbital selective strong correlation effects in Fe-based superconductors, particularly Fe chalcogenide systems. We propose that a key ingredient for an improved itinerant pairing theory is orbital selectivity, i.e., incorporating the reduced coherence of quasiparticles occupying specific orbital states. This modifies the usual spin-fluctuation via suppression of pair scattering processes involving those less coherent states and results in orbital selective Cooper pairing of electrons in the remaining states. We show that this paradigm yields remarkably good agreement with the experimentally observed anisotropic gap structures in both bulk and monolayer FeSe, asmore » well as LiFeAs, indicating that orbital selective Cooper pairing plays a key role in the more strongly correlated iron-based superconductors.« less

  10. Orbital selective pairing and gap structures of iron-based superconductors

    DOE PAGES

    Kreisel, Andreas; Andersen, Brian M.; Sprau, P. O.; ...

    2017-05-08

    We discuss the in uence on spin-fluctuation pairing theory of orbital selective strong correlation effects in Fe-based superconductors, particularly Fe chalcogenide systems. We propose that a key ingredient for an improved itinerant pairing theory is orbital selectivity, i.e., incorporating the reduced coherence of quasiparticles occupying specific orbital states. This modifies the usual spin-fluctuation via suppression of pair scattering processes involving those less coherent states and results in orbital selective Cooper pairing of electrons in the remaining states. We show that this paradigm yields remarkably good agreement with the experimentally observed anisotropic gap structures in both bulk and monolayer FeSe, asmore » well as LiFeAs, indicating that orbital selective Cooper pairing plays a key role in the more strongly correlated iron-based superconductors.« less

  11. A pair natural orbital based implementation of CCSD excitation energies within the framework of linear response theory

    NASA Astrophysics Data System (ADS)

    Frank, Marius S.; Hättig, Christof

    2018-04-01

    We present a pair natural orbital (PNO)-based implementation of coupled cluster singles and doubles (CCSD) excitation energies that builds upon the previously proposed state-specific PNO approach to the excited state eigenvalue problem. We construct the excited state PNOs for each state separately in a truncated orbital specific virtual basis and use a local density-fitting approximation to achieve an at most quadratic scaling of the computational costs for the PNO construction. The earlier reported excited state PNO construction is generalized such that a smooth convergence of the results for charge transfer states is ensured for general coupled cluster methods. We investigate the accuracy of our implementation by applying it to a large and diverse test set comprising 153 singlet excitations in organic molecules. Already moderate PNO thresholds yield mean absolute errors below 0.01 eV. The performance of the implementation is investigated through the calculations on alkene chains and reveals an at most cubic cost-scaling for the CCSD iterations with the system size.

  12. Building up the spin - orbit alignment of interacting galaxy pairs

    NASA Astrophysics Data System (ADS)

    Moon, Jun-Sung; Yoon, Suk-Jin

    2018-01-01

    Galaxies are not just randomly distributed throughout space. Instead, they are in alignment over a wide range of scales from the cosmic web down to a pair of galaxies. Motivated by recent findings that the spin and the orbital angular momentum vectors of galaxy pairs tend to be parallel, we here investigate the spin - orbit orientation in close pairs using the Illustris cosmological simulation. We find that since z ~ 1, the parallel alignment has become progressively stronger with time through repetitive encounters. The pair Interactions are preferentially in prograde at z = 0 (over 5 sigma significance). The prograde fraction at z = 0 is larger for the pairs influenced more heavily by each other during their evolution. We find no correlation between the spin - orbit orientation and the surrounding large-scale structure. Our results favor the scenario in which the alignment in close pairs is caused by tidal interactions later on, rather than the primordial torquing by the large-scale structures.

  13. SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Guo, Yang; Sivalingam, Kantharuban; Neese, Frank, E-mail: Frank.Neese@cec.mpg.de

    2016-03-07

    Multi-reference (MR) electronic structure methods, such as MR configuration interaction or MR perturbation theory, can provide reliable energies and properties for many molecular phenomena like bond breaking, excited states, transition states or magnetic properties of transition metal complexes and clusters. However, owing to their inherent complexity, most MR methods are still too computationally expensive for large systems. Therefore the development of more computationally attractive MR approaches is necessary to enable routine application for large-scale chemical systems. Among the state-of-the-art MR methods, second-order N-electron valence state perturbation theory (NEVPT2) is an efficient, size-consistent, and intruder-state-free method. However, there are still twomore » important bottlenecks in practical applications of NEVPT2 to large systems: (a) the high computational cost of NEVPT2 for large molecules, even with moderate active spaces and (b) the prohibitive cost for treating large active spaces. In this work, we address problem (a) by developing a linear scaling “partially contracted” NEVPT2 method. This development uses the idea of domain-based local pair natural orbitals (DLPNOs) to form a highly efficient algorithm. As shown previously in the framework of single-reference methods, the DLPNO concept leads to an enormous reduction in computational effort while at the same time providing high accuracy (approaching 99.9% of the correlation energy), robustness, and black-box character. In the DLPNO approach, the virtual space is spanned by pair natural orbitals that are expanded in terms of projected atomic orbitals in large orbital domains, while the inactive space is spanned by localized orbitals. The active orbitals are left untouched. Our implementation features a highly efficient “electron pair prescreening” that skips the negligible inactive pairs. The surviving pairs are treated using the partially contracted NEVPT2 formalism. A detailed

  14. SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory

    NASA Astrophysics Data System (ADS)

    Guo, Yang; Sivalingam, Kantharuban; Valeev, Edward F.; Neese, Frank

    2016-03-01

    Multi-reference (MR) electronic structure methods, such as MR configuration interaction or MR perturbation theory, can provide reliable energies and properties for many molecular phenomena like bond breaking, excited states, transition states or magnetic properties of transition metal complexes and clusters. However, owing to their inherent complexity, most MR methods are still too computationally expensive for large systems. Therefore the development of more computationally attractive MR approaches is necessary to enable routine application for large-scale chemical systems. Among the state-of-the-art MR methods, second-order N-electron valence state perturbation theory (NEVPT2) is an efficient, size-consistent, and intruder-state-free method. However, there are still two important bottlenecks in practical applications of NEVPT2 to large systems: (a) the high computational cost of NEVPT2 for large molecules, even with moderate active spaces and (b) the prohibitive cost for treating large active spaces. In this work, we address problem (a) by developing a linear scaling "partially contracted" NEVPT2 method. This development uses the idea of domain-based local pair natural orbitals (DLPNOs) to form a highly efficient algorithm. As shown previously in the framework of single-reference methods, the DLPNO concept leads to an enormous reduction in computational effort while at the same time providing high accuracy (approaching 99.9% of the correlation energy), robustness, and black-box character. In the DLPNO approach, the virtual space is spanned by pair natural orbitals that are expanded in terms of projected atomic orbitals in large orbital domains, while the inactive space is spanned by localized orbitals. The active orbitals are left untouched. Our implementation features a highly efficient "electron pair prescreening" that skips the negligible inactive pairs. The surviving pairs are treated using the partially contracted NEVPT2 formalism. A detailed comparison

  15. Binary Star Orbits. IV. Orbits of 18 Southern Interferometric Pairs

    NASA Astrophysics Data System (ADS)

    Mason, Brian D.; Hartkopf, William I.; Tokovinin, Andrei

    2010-09-01

    First orbits are presented for 3 interferometric pairs and revised solutions for 15 others, based in part on first results from a recently initiated program of speckle interferometric observations of neglected southern binaries. Eight of these systems contain additional components, with multiplicity ranging up to 6.

  16. Hubble Finds Planet Orbiting Pair of Stars

    NASA Image and Video Library

    2017-12-08

    Two's company, but three might not always be a crowd — at least in space. Astronomers using NASA's Hubble Space Telescope, and a trick of nature, have confirmed the existence of a planet orbiting two stars in the system OGLE-2007-BLG-349, located 8,000 light-years away towards the center of our galaxy. The planet orbits roughly 300 million miles from the stellar duo, about the distance from the asteroid belt to our sun. It completes an orbit around both stars roughly every seven years. The two red dwarf stars are a mere 7 million miles apart, or 14 times the diameter of the moon's orbit around Earth. The Hubble observations represent the first time such a three-body system has been confirmed using the gravitational microlensing technique. Gravitational microlensing occurs when the gravity of a foreground star bends and amplifies the light of a background star that momentarily aligns with it. The particular character of the light magnification can reveal clues to the nature of the foreground star and any associated planets. The three objects were discovered in 2007 by an international collaboration of five different groups: Microlensing Observations in Astrophysics (MOA), the Optical Gravitational Lensing Experiment (OGLE), the Microlensing Follow-up Network (MicroFUN), the Probing Lensing Anomalies Network (PLANET), and the Robonet Collaboration. These ground-based observations uncovered a star and a planet, but a detailed analysis also revealed a third body that astronomers could not definitively identify. Image caption: This artist's illustration shows a gas giant planet circling a pair of red dwarf stars in the system OGLE-2007-BLG-349, located 8,000 light-years away. The Saturn-mass planet orbits roughly 300 million miles from the stellar duo. The two red dwarf stars are 7 million miles apart. Credit: NASA, ESA, and G. Bacon (STScI) Read more: go.nasa.gov/2dcfMns NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four

  17. Orbitally limited pair-density-wave phase of multilayer superconductors

    NASA Astrophysics Data System (ADS)

    Möckli, David; Yanase, Youichi; Sigrist, Manfred

    2018-04-01

    We investigate the magnetic field dependence of an ideal superconducting vortex lattice in the parity-mixed pair-density-wave phase of multilayer superconductors within a circular cell Ginzburg-Landau approach. In multilayer systems, due to local inversion symmetry breaking, a Rashba spin-orbit coupling is induced at the outer layers. This combined with a perpendicular paramagnetic (Pauli) limiting magnetic field stabilizes a staggered layer dependent pair-density-wave phase in the superconducting singlet channel. The high-field pair-density-wave phase is separated from the low-field BCS phase by a first-order phase transition. The motivating guiding question in this paper is: What is the minimal necessary Maki parameter αM for the appearance of the pair-density-wave phase of a superconducting trilayer system? To address this problem we generalize the circular cell method for the regular flux-line lattice of a type-II superconductor to include paramagnetic depairing effects. Then, we apply the model to the trilayer system, where each of the layers are characterized by Ginzburg-Landau parameter κ0 and a Maki parameter αM. We find that when the spin-orbit Rashba interaction compares to the superconducting condensation energy, the orbitally limited pair-density-wave phase stabilizes for Maki parameters αM>10 .

  18. Enhanced pairing susceptibility in a photodoped two-orbital Hubbard model

    NASA Astrophysics Data System (ADS)

    Werner, Philipp; Strand, Hugo U. R.; Hoshino, Shintaro; Murakami, Yuta; Eckstein, Martin

    2018-04-01

    Local spin fluctuations provide the glue for orbital-singlet spin-triplet pairing in the doped Mott insulating regime of multiorbital Hubbard models. At large Hubbard repulsion U , the pairing susceptibility is nevertheless tiny because the pairing interaction cannot overcome the suppression of charge fluctuations. Using nonequilibrium dynamical mean field simulations of the two-orbital Hubbard model, we show that out of equilibrium the pairing susceptibility in this large-U regime can be strongly enhanced by creating a photoinduced population of the relevant charge states. This enhancement is supported by the long lifetime of photodoped charge carriers and a built-in cooling mechanism in multiorbital Hubbard systems.

  19. Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach.

    PubMed

    Bistoni, Giovanni; Riplinger, Christoph; Minenkov, Yury; Cavallo, Luigi; Auer, Alexander A; Neese, Frank

    2017-07-11

    The validity of the main approximations used in canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) in standard chemical applications is discussed. In particular, we investigate the dependence of the results on the number of electrons included in the correlation treatment in frozen-core (FC) calculations and on the main threshold governing the accuracy of DLPNO all-electron (AE) calculations. Initially, scalar relativistic orbital energies for the ground state of the atoms from Li to Rn in the periodic table are calculated. An energy criterion is used for determining the orbitals that can be excluded from the correlation treatment in FC coupled cluster calculations without significant loss of accuracy. The heterolytic dissociation energy (HDE) of a series of metal compounds (LiF, NaF, AlF 3 , CaF 2 , CuF, GaF 3 , YF 3 , AgF, InF 3 , HfF 4 , and AuF) is calculated at the canonical CCSD(T) level, and the dependence of the results on the number of correlated electrons is investigated. Although for many of the studied reactions subvalence correlation effects contribute significantly to the HDE, the use of an energy criterion permits a conservative definition of the size of the core, allowing FC calculations to be performed in a black-box fashion while retaining chemical accuracy. A comparison of the CCSD and the DLPNO-CCSD methods in describing the core-core, core-valence, and valence-valence components of the correlation energy is given. It is found that more conservative thresholds must be used for electron pairs containing at least one core electron in order to achieve high accuracy in AE DLPNO-CCSD calculations relative to FC calculations. With the new settings, the DLPNO-CCSD method reproduces canonical CCSD results in both AE and FC calculations with the same accuracy.

  20. A pair natural orbital implementation of the coupled cluster model CC2 for excitation energies.

    PubMed

    Helmich, Benjamin; Hättig, Christof

    2013-08-28

    We demonstrate how to extend the pair natural orbital (PNO) methodology for excited states, presented in a previous work for the perturbative doubles correction to configuration interaction singles (CIS(D)), to iterative coupled cluster methods such as the approximate singles and doubles model CC2. The original O(N(5)) scaling of the PNO construction is reduced by using orbital-specific virtuals (OSVs) as an intermediate step without spoiling the initial accuracy of the PNO method. Furthermore, a slower error convergence for charge-transfer states is analyzed and resolved by a numerical Laplace transformation during the PNO construction, so that an equally accurate treatment of local and charge-transfer excitations is achieved. With state-specific truncated PNO expansions, the eigenvalue problem is solved by combining the Davidson algorithm with deflation to project out roots that have already been determined and an automated refresh with a generation of new PNOs to achieve self-consistency of the PNO space. For a large test set, we found that truncation errors for PNO-CC2 excitation energies are only slightly larger than for PNO-CIS(D). The computational efficiency of PNO-CC2 is demonstrated for a large organic dye, where a reduction of the doubles space by a factor of more than 1000 is obtained compared to the canonical calculation. A compression of the doubles space by a factor 30 is achieved by a unified OSV space only. Moreover, calculations with the still preliminary PNO-CC2 implementation on a series of glycine oligomers revealed an early break even point with a canonical RI-CC2 implementation between 100 and 300 basis functions.

  1. Probability of coincidental similarity among the orbits of small bodies - I. Pairing

    NASA Astrophysics Data System (ADS)

    Jopek, Tadeusz Jan; Bronikowska, Małgorzata

    2017-09-01

    Probability of coincidental clustering among orbits of comets, asteroids and meteoroids depends on many factors like: the size of the orbital sample searched for clusters or the size of the identified group, it is different for groups of 2,3,4,… members. Probability of coincidental clustering is assessed by the numerical simulation, therefore, it depends also on the method used for the synthetic orbits generation. We have tested the impact of some of these factors. For a given size of the orbital sample we have assessed probability of random pairing among several orbital populations of different sizes. We have found how these probabilities vary with the size of the orbital samples. Finally, keeping fixed size of the orbital sample we have shown that the probability of random pairing can be significantly different for the orbital samples obtained by different observation techniques. Also for the user convenience we have obtained several formulae which, for given size of the orbital sample can be used to calculate the similarity threshold corresponding to the small value of the probability of coincidental similarity among two orbits.

  2. Combining Accuracy and Efficiency: An Incremental Focal-Point Method Based on Pair Natural Orbitals.

    PubMed

    Fiedler, Benjamin; Schmitz, Gunnar; Hättig, Christof; Friedrich, Joachim

    2017-12-12

    In this work, we present a new pair natural orbitals (PNO)-based incremental scheme to calculate CCSD(T) and CCSD(T0) reaction, interaction, and binding energies. We perform an extensive analysis, which shows small incremental errors similar to previous non-PNO calculations. Furthermore, slight PNO errors are obtained by using T PNO = T TNO with appropriate values of 10 -7 to 10 -8 for reactions and 10 -8 for interaction or binding energies. The combination with the efficient MP2 focal-point approach yields chemical accuracy relative to the complete basis-set (CBS) limit. In this method, small basis sets (cc-pVDZ, def2-TZVP) for the CCSD(T) part are sufficient in case of reactions or interactions, while some larger ones (e.g., (aug)-cc-pVTZ) are necessary for molecular clusters. For these larger basis sets, we show the very high efficiency of our scheme. We obtain not only tremendous decreases of the wall times (i.e., factors >10 2 ) due to the parallelization of the increment calculations as well as of the total times due to the application of PNOs (i.e., compared to the normal incremental scheme) but also smaller total times with respect to the standard PNO method. That way, our new method features a perfect applicability by combining an excellent accuracy with a very high efficiency as well as the accessibility to larger systems due to the separation of the full computation into several small increments.

  3. Discovery of orbital-selective Cooper pairing in FeSe

    DOE PAGES

    Sprau, P. O.; Kostin, A.; Kreisel, A.; ...

    2017-07-07

    The superconductor iron selenide (FeSe) is of intense interest owing to its unusual nonmagnetic nematic state and potential for high-temperature superconductivity. But its Cooper pairing mechanism has not been determined. Here, we used Bogoliubov quasiparticle interference imaging to determine the Fermi surface geometry of the electronic bands surrounding the Γ = (0,0) and X = (π/a Fe, 0) points of FeSe and to measure the corresponding superconducting energy gaps. We show that both gaps are extremely anisotropic but nodeless and that they exhibit gap maxima oriented orthogonally in momentum space. Moreover, by implementing a novel technique, we demonstrate that thesemore » gaps have opposite sign with respect to each other. This complex gap configuration reveals the existence of orbital-selective Cooper pairing that, in FeSe, is based preferentially on electrons from the d yz orbitals of the iron atoms.« less

  4. Discovery of orbital-selective Cooper pairing in FeSe

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sprau, P. O.; Kostin, A.; Kreisel, A.

    The superconductor iron selenide (FeSe) is of intense interest owing to its unusual nonmagnetic nematic state and potential for high-temperature superconductivity. But its Cooper pairing mechanism has not been determined. Here, we used Bogoliubov quasiparticle interference imaging to determine the Fermi surface geometry of the electronic bands surrounding the Γ = (0,0) and X = (π/a Fe, 0) points of FeSe and to measure the corresponding superconducting energy gaps. We show that both gaps are extremely anisotropic but nodeless and that they exhibit gap maxima oriented orthogonally in momentum space. Moreover, by implementing a novel technique, we demonstrate that thesemore » gaps have opposite sign with respect to each other. This complex gap configuration reveals the existence of orbital-selective Cooper pairing that, in FeSe, is based preferentially on electrons from the d yz orbitals of the iron atoms.« less

  5. Perturbative triples correction for local pair natural orbital based explicitly correlated CCSD(F12*) using Laplace transformation techniques.

    PubMed

    Schmitz, Gunnar; Hättig, Christof

    2016-12-21

    We present an implementation of pair natural orbital coupled cluster singles and doubles with perturbative triples, PNO-CCSD(T), which avoids the quasi-canonical triples approximation (T0) where couplings due to off-diagonal Fock matrix elements are neglected. A numerical Laplace transformation of the canonical expression for the perturbative (T) triples correction is used to avoid an I/O and storage bottleneck for the triples amplitudes. Results for a test set of reaction energies show that only very few Laplace grid points are needed to obtain converged energy differences and that PNO-CCSD(T) is a more robust approximation than PNO-CCSD(T0) with a reduced mean absolute deviation from canonical CCSD(T) results. We combine the PNO-based (T) triples correction with the explicitly correlated PNO-CCSD(F12*) method and investigate the use of specialized F12-PNOs in the conventional triples correction. We find that no significant additional errors are introduced and that PNO-CCSD(F12*)(T) can be applied in a black box manner.

  6. The intrapair electron correlation in natural orbital functional theory

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Piris, M.; Donostia International Physics Center; IKERBASQUE, Basque Foundation for Science, 48011 Bilbao

    2013-12-21

    A previously proposed [M. Piris, X. Lopez, F. Ruipérez, J. M. Matxain, and J. M. Ugalde, J. Chem. Phys. 134, 164102 (2011)] formulation of the two-particle cumulant, based on an orbital-pairing scheme, is extended here for including more than two natural orbitals. This new approximation is used to reconstruct the two-particle reduced density matrix (2-RDM) constrained to the D, Q, and G positivity necessary conditions of the N-representable 2-RDM. In this way, we have derived an extended version of the Piris natural orbital functional 5 (PNOF5e). An antisymmetrized product of strongly orthogonal geminals with the expansion coefficients explicitly expressed bymore » the occupation numbers is also used to generate the PNOF5e. The theory is applied to the homolytic dissociation of selected diatomic molecules: H{sub 2}, LiH, and Li{sub 2}. The Bader's theory of atoms in molecules is used to analyze the electron density and the presence of non-nuclear maxima in the case of a set of light atomic clusters: Li{sub 2}, Li {sub 3}{sup +}, Li {sub 4}{sup 2+}, and H{sub 3}{sup +}. The improvement of PNOF5e over PNOF5 was observed by visualizing the electron densities.« less

  7. Exact solutions for a type of electron pairing model with spin-orbit interactions and Zeeman coupling.

    PubMed

    Liu, Jia; Han, Qiang; Shao, L B; Wang, Z D

    2011-07-08

    A type of electron pairing model with spin-orbit interactions or Zeeman coupling is solved exactly in the framework of the Richardson ansatz. Based on the exact solutions for the case with spin-orbit interactions, it is shown rigorously that the pairing symmetry is of the p + ip wave and the ground state possesses time-reversal symmetry, regardless of the strength of the pairing interaction. Intriguingly, how Majorana fermions can emerge in the system is also elaborated. Exact results are illustrated for two systems, respectively, with spin-orbit interactions and Zeeman coupling.

  8. Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory

    NASA Astrophysics Data System (ADS)

    Riplinger, Christoph; Pinski, Peter; Becker, Ute; Valeev, Edward F.; Neese, Frank

    2016-01-01

    Domain based local pair natural orbital coupled cluster theory with single-, double-, and perturbative triple excitations (DLPNO-CCSD(T)) is a highly efficient local correlation method. It is known to be accurate and robust and can be used in a black box fashion in order to obtain coupled cluster quality total energies for large molecules with several hundred atoms. While previous implementations showed near linear scaling up to a few hundred atoms, several nonlinear scaling steps limited the applicability of the method for very large systems. In this work, these limitations are overcome and a linear scaling DLPNO-CCSD(T) method for closed shell systems is reported. The new implementation is based on the concept of sparse maps that was introduced in Part I of this series [P. Pinski, C. Riplinger, E. F. Valeev, and F. Neese, J. Chem. Phys. 143, 034108 (2015)]. Using the sparse map infrastructure, all essential computational steps (integral transformation and storage, initial guess, pair natural orbital construction, amplitude iterations, triples correction) are achieved in a linear scaling fashion. In addition, a number of additional algorithmic improvements are reported that lead to significant speedups of the method. The new, linear-scaling DLPNO-CCSD(T) implementation typically is 7 times faster than the previous implementation and consumes 4 times less disk space for large three-dimensional systems. For linear systems, the performance gains and memory savings are substantially larger. Calculations with more than 20 000 basis functions and 1000 atoms are reported in this work. In all cases, the time required for the coupled cluster step is comparable to or lower than for the preceding Hartree-Fock calculation, even if this is carried out with the efficient resolution-of-the-identity and chain-of-spheres approximations. The new implementation even reduces the error in absolute correlation energies by about a factor of two, compared to the already accurate previous

  9. Pairing tendencies in a two-orbital Hubbard model in one dimension

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Patel, Niravkumar D.; Nocera, Adriana; Alvarez, Gonzalo

    The recent discovery of superconductivity under high pressure in the ladder compound BaFe2S3 has opened a new field of research in iron-based superconductors with focus on quasi-one-dimensional geometries. In this publication, using the density matrix renormalization group technique, we study a two-orbital Hubbard model defined in one-dimensional chains. Our main result is the presence of hole binding tendencies at intermediate Hubbard U repulsion and robust Hund coupling JH / U = 0.25. Binding does not occur either in weak coupling or at very strong coupling. The pair-pair correlations that are dominant near half-filling, or of similar strength as the chargemore » and spin correlation channels, involve hole-pair operators that are spin singlets, use nearest-neighbor sites, and employ different orbitals for each hole. As a result, the Hund coupling strength, presence of robust magnetic moments, and antiferromagnetic correlations among them are important for the binding tendencies found here.« less

  10. Natural chemical shielding analysis of nuclear magnetic resonance shielding tensors from gauge-including atomic orbital calculations

    NASA Astrophysics Data System (ADS)

    Bohmann, Jonathan A.; Weinhold, Frank; Farrar, Thomas C.

    1997-07-01

    Nuclear magnetic shielding tensors computed by the gauge including atomic orbital (GIAO) method in the Hartree-Fock self-consistent-field (HF-SCF) framework are partitioned into magnetic contributions from chemical bonds and lone pairs by means of natural chemical shielding (NCS) analysis, an extension of natural bond orbital (NBO) analysis. NCS analysis complements the description provided by alternative localized orbital methods by directly calculating chemical shieldings due to delocalized features in the electronic structure, such as bond conjugation and hyperconjugation. Examples of NCS tensor decomposition are reported for CH4, CO, and H2CO, for which a graphical mnemonic due to Cornwell is used to illustrate the effect of hyperconjugative delocalization on the carbon shielding.

  11. Kepler-36: a pair of planets with neighboring orbits and dissimilar densities.

    PubMed

    Carter, Joshua A; Agol, Eric; Chaplin, William J; Basu, Sarbani; Bedding, Timothy R; Buchhave, Lars A; Christensen-Dalsgaard, Jørgen; Deck, Katherine M; Elsworth, Yvonne; Fabrycky, Daniel C; Ford, Eric B; Fortney, Jonathan J; Hale, Steven J; Handberg, Rasmus; Hekker, Saskia; Holman, Matthew J; Huber, Daniel; Karoff, Christopher; Kawaler, Steven D; Kjeldsen, Hans; Lissauer, Jack J; Lopez, Eric D; Lund, Mikkel N; Lundkvist, Mia; Metcalfe, Travis S; Miglio, Andrea; Rogers, Leslie A; Stello, Dennis; Borucki, William J; Bryson, Steve; Christiansen, Jessie L; Cochran, William D; Geary, John C; Gilliland, Ronald L; Haas, Michael R; Hall, Jennifer; Howard, Andrew W; Jenkins, Jon M; Klaus, Todd; Koch, David G; Latham, David W; MacQueen, Phillip J; Sasselov, Dimitar; Steffen, Jason H; Twicken, Joseph D; Winn, Joshua N

    2012-08-03

    In the solar system, the planets' compositions vary with orbital distance, with rocky planets in close orbits and lower-density gas giants in wider orbits. The detection of close-in giant planets around other stars was the first clue that this pattern is not universal and that planets' orbits can change substantially after their formation. Here, we report another violation of the orbit-composition pattern: two planets orbiting the same star with orbital distances differing by only 10% and densities differing by a factor of 8. One planet is likely a rocky "super-Earth," whereas the other is more akin to Neptune. These planets are 20 times more closely spaced and have a larger density contrast than any adjacent pair of planets in the solar system.

  12. Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study.

    PubMed

    Altun, Ahmet; Neese, Frank; Bistoni, Giovanni

    2018-01-01

    The local energy decomposition (LED) analysis allows for a decomposition of the accurate domain-based local pair natural orbital CCSD(T) [DLPNO-CCSD(T)] energy into physically meaningful contributions including geometric and electronic preparation, electrostatic interaction, interfragment exchange, dynamic charge polarization, and London dispersion terms. Herein, this technique is employed in the study of hydrogen-bonding interactions in a series of conformers of water and hydrogen fluoride dimers. Initially, DLPNO-CCSD(T) dissociation energies for the most stable conformers are computed and compared with available experimental data. Afterwards, the decay of the LED terms with the intermolecular distance ( r ) is discussed and results are compared with the ones obtained from the popular symmetry adapted perturbation theory (SAPT). It is found that, as expected, electrostatic contributions slowly decay for increasing r and dominate the interaction energies in the long range. London dispersion contributions decay as expected, as r -6 . They significantly affect the depths of the potential wells. The interfragment exchange provides a further stabilizing contribution that decays exponentially with the intermolecular distance. This information is used to rationalize the trend of stability of various conformers of the water and hydrogen fluoride dimers.

  13. CO-ORBITING PLANES OF SUB-HALOS ARE SIMILARLY UNLIKELY AROUND PAIRED AND ISOLATED HOSTS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pawlowski, Marcel S.; McGaugh, Stacy S., E-mail: marcel.pawlowski@case.edu

    2014-07-01

    Sub-halos in dark-matter-based cosmological simulations tend to be distributed approximately isotropically around their host. The existence of highly flattened, co-orbiting planes of satellite galaxies has therefore been identified as a possible problem for these cosmological models, but so far studies have not considered the hosts' environments. That satellite planes are now known around both major galaxies in the Local Group raises the question whether they are more likely to be found around paired hosts. In a first attempt to investigate this possibility, we focus on the flattening and orbital coherence of the 11 brightest satellite galaxies of the vast polarmore » structure (VPOS) around the Milky Way (MW). We search for VPOS analogs in the ''Exploring the Local Volume in Simulations'' suite of cosmological simulations, which consist of 24 paired and 24 isolated host halos. We do not find significant differences between the properties of sub-halo distributions around paired and isolated hosts. The observed flattening and the observed orbital alignment are each reproduced by only 0.2%-2% of paired and isolated systems incorporating the obscuration of satellites by randomly oriented galactic disks. Only 1 of all 4800 analyzed realizations (0.02%) reproduces both parameters simultaneously, but the average orbital pole of this sub-halo system does not align as well with the normal to the plane fit as observed. That the MW is part of a galaxy pair thus does not help to explain the existence of the VPOS if the satellite galaxies are identified with sub-halos found in dissipationless simulations.« less

  14. Spin-orbit coupling, electron transport and pairing instabilities in two-dimensional square structures

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kocharian, Armen N.; Fernando, Gayanath W.; Fang, Kun

    Rashba spin-orbit effects and electron correlations in the two-dimensional cylindrical lattices of square geometries are assessed using mesoscopic two-, three- and four-leg ladder structures. Here the electron transport properties are systematically calculated by including the spin-orbit coupling in tight binding and Hubbard models threaded by a magnetic flux. These results highlight important aspects of possible symmetry breaking mechanisms in square ladder geometries driven by the combined effect of a magnetic gauge field spin-orbit interaction and temperature. The observed persistent current, spin and charge polarizations in the presence of spin-orbit coupling are driven by separation of electron and hole charges andmore » opposite spins in real-space. The modeled spin-flip processes on the pairing mechanism induced by the spin-orbit coupling in assembled nanostructures (as arrays of clusters) engineered in various two-dimensional multi-leg structures provide an ideal playground for understanding spatial charge and spin density inhomogeneities leading to electron pairing and spontaneous phase separation instabilities in unconventional superconductors. Such studies also fall under the scope of current challenging problems in superconductivity and magnetism, topological insulators and spin dependent transport associated with numerous interfaces and heterostructures.« less

  15. Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation.

    PubMed

    Minenkov, Yury; Bistoni, Giovanni; Riplinger, Christoph; Auer, Alexander A; Neese, Frank; Cavallo, Luigi

    2017-04-05

    In this work, we tested canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) for a set of 32 ligand exchange and association/dissociation reaction enthalpies involving ionic complexes of Li, Be, Na, Mg, Ca, Sr, Ba and Pb(ii). Two strategies were investigated: in the former, only valence electrons were included in the correlation treatment, giving rise to the computationally very efficient FC (frozen core) approach; in the latter, all non-ECP electrons were included in the correlation treatment, giving rise to the AE (all electron) approach. Apart from reactions involving Li and Be, the FC approach resulted in non-homogeneous performance. The FC approach leads to very small errors (<2 kcal mol -1 ) for some reactions of Na, Mg, Ca, Sr, Ba and Pb, while for a few reactions of Ca and Ba deviations up to 40 kcal mol -1 have been obtained. Large errors are both due to artificial mixing of the core (sub-valence) orbitals of metals and the valence orbitals of oxygen and halogens in the molecular orbitals treated as core, and due to neglecting core-core and core-valence correlation effects. These large errors are reduced to a few kcal mol -1 if the AE approach is used or the sub-valence orbitals of metals are included in the correlation treatment. On the technical side, the CCSD(T) and DLPNO-CCSD(T) results differ by a fraction of kcal mol -1 , indicating the latter method as the perfect choice when the CPU efficiency is essential. For completely black-box applications, as requested in catalysis or thermochemical calculations, we recommend the DLPNO-CCSD(T) method with all electrons that are not covered by effective core potentials included in the correlation treatment and correlation-consistent polarized core valence basis sets of cc-pwCVQZ(-PP) quality.

  16. Orbiting pairs of walking droplets: Dynamics and stability

    NASA Astrophysics Data System (ADS)

    Oza, Anand U.; Siéfert, Emmanuel; Harris, Daniel M.; Moláček, Jan; Bush, John W. M.

    2017-05-01

    A decade ago, Couder and Fort [Phys. Rev. Lett. 97, 154101 (2006)], 10.1103/PhysRevLett.97.154101 discovered that a millimetric droplet sustained on the surface of a vibrating fluid bath may self-propel through a resonant interaction with its own wave field. We here present the results of a combined experimental and theoretical investigation of the interactions of such walking droplets. Specifically, we delimit experimentally the different regimes for an orbiting pair of identical walkers and extend the theoretical model of Oza et al. [J. Fluid Mech. 737, 552 (2013)], 10.1017/jfm.2013.581 in order to rationalize our observations. A quantitative comparison between experiment and theory highlights the importance of spatial damping of the wave field. Our results also indicate that walkers adapt their impact phase according to the local wave height, an effect that stabilizes orbiting bound states.

  17. Orbital revolution of a pair of bubbles in an acoustic field

    NASA Astrophysics Data System (ADS)

    Shirota, Minori; Yamashita, Kou; Inamura, Takao

    2011-11-01

    This experimental study aims to clarify the mechanism of orbital motion of two oscillating bubbles in an acoustic field. Trajectory of the orbital motion was observed using a high-speed video camera. Because of a good repeatability in volume oscillation of bubbles, we were also able to observe the radial motion driven at 24 kHz by stroboscopic like imaging; the cyclic bubble oscillation was appeared to slow down by capturing images at the framing rate close to the forcing frequency. The orbital motions of bubbles raging from 0.13 to 0.18 mm were examined with different forcing amplitude and in different viscous oils. As a result, we found that pairs of bubbles revolve along a circular orbit around the center of mass of the orbiting two bubbles. We also found that the two bubbles perform anti-phase radial oscillation. Although this radial oscillation should result in a repulsive secondary Bjerknes force, the bubbles kept a constant separate distance of about 1 mm, which indicates the existence of centripetal primary Bjerknes force. The angular velocity of orbital revolution increases linearly with the increase in Bjerknes force.

  18. Multipoint Geospace Science in 3D: The Paired Ionosphere-Thermosphere Orbiters(PITO) Mission

    NASA Technical Reports Server (NTRS)

    Clemmons, J.; Walterscheid, R.; Nigg, D.; Judnick, D.; Lang, J.; Spann, J.

    2010-01-01

    The science enabled by the Paired Ionosphere-Thermosphere Orbiters (PITO) mission is described and discussed. PITO has been designed to provide the concurrent, three-dimensional, multipoint measurements needed to advance geospace science while staying within a stringent resource envelope. The mission utilizes a pair of orbiting vehicles in eccentric, high-inclination, coplanar orbits. The orbits have arguments of perigee that differ by 180 degrees and are phased such that one vehicle is at perigee (200 km) while the second is at apogee (2000 km). Half an orbit later, the vehicles switch positions. Three complementary types of measurements exploit this scenario: local, in-situ measurements on both satellites, two-dimensional imaging from the higher satellite, and vertical sounders. The main idea is that two-dimensional context information for the low-altitude measurements is obtained by the high altitude imagers, while information on the third dimension is provided by vertical profiling. Such an observation system is capable of providing elements of global coverage, regional coverage, and concurrent coverage in three dimensions. Science goals are presented, as are the results of a detailed implementation plan, including several trade studies on key elements of the mission. The conclusion is that the mission would enable significant new understanding of the ionosphere-thermosphere system within a resource envelope that is consistent with that of NASA's Medium Explorer (MIDEX) line of science missions.

  19. Orbital optimisation in the perfect pairing hierarchy: applications to full-valence calculations on linear polyacenes

    NASA Astrophysics Data System (ADS)

    Lehtola, Susi; Parkhill, John; Head-Gordon, Martin

    2018-03-01

    We describe the implementation of orbital optimisation for the models in the perfect pairing hierarchy. Orbital optimisation, which is generally necessary to obtain reliable results, is pursued at perfect pairing (PP) and perfect quadruples (PQ) levels of theory for applications on linear polyacenes, which are believed to exhibit strong correlation in the π space. While local minima and σ-π symmetry breaking solutions were found for PP orbitals, no such problems were encountered for PQ orbitals. The PQ orbitals are used for single-point calculations at PP, PQ and perfect hextuples (PH) levels of theory, both only in the π subspace, as well as in the full σπ valence space. It is numerically demonstrated that the inclusion of single excitations is necessary also when optimised orbitals are used. PH is found to yield good agreement with previously published density matrix renormalisation group data in the π space, capturing over 95% of the correlation energy. Full-valence calculations made possible by our novel, efficient code reveal that strong correlations are weaker when larger basis sets or active spaces are employed than in previous calculations. The largest full-valence PH calculations presented correspond to a (192e,192o) problem.

  20. Navigating highly elliptical earth orbiters with simultaneous VLBI from orthogonal baseline pairs

    NASA Technical Reports Server (NTRS)

    Frauenholz, Raymond B.

    1986-01-01

    Navigation strategies for determining highly elliptical orbits with VLBI are described. The predicted performance of wideband VLBI and Delta VLBI measurements obtained by orthogonal baseline pairs are compared for a 16-hr equatorial orbit. It is observed that the one-sigma apogee position accuracy improves two orders of magnitude to the meter level when Delta VLBI measurements are added to coherent Doppler and range, and the simpler VLBI strategy provides nearly the same orbit accuracy. The effects of differential measurement noise and acquisition geometry on orbit accuracy are investigated. The data reveal that quasar position uncertainty limits the accuracy of wideband Delta VLBI measurements, and that polar motion and baseline uncertainties and offsets between station clocks affect the wideband VLBI data. It is noted that differential one-way range (DOR) has performance nearly equal to that of the more complex Delta DOR and is recommended for use on spacecraft in high elliptical orbits.

  1. Quantum teleportation in the spin-orbit variables of photon pairs

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Khoury, A. Z.; Milman, P.; Laboratoire Materiaux et Phenomenes Quantiques, CNRS UMR 7162, Universite Paris Diderot, F-75013, Paris

    2011-06-15

    We propose a polarization to orbital angular momentum teleportation scheme using entangled photon pairs generated by spontaneous parametric down-conversion. By making a joint detection of the polarization and angular momentum parity of a single photon, we are able to detect all the Bell states and perform, in principle, perfect teleportation from a discrete to a continuous system using minimal resources. The proposed protocol implementation demands experimental resources that are currently available in quantum optics laboratories.

  2. Spin-orbit coupling induced two-electron relaxation in silicon donor pairs

    NASA Astrophysics Data System (ADS)

    Song, Yang; Das Sarma, S.

    2017-09-01

    We unravel theoretically a key intrinsic relaxation mechanism among the low-lying singlet and triplet donor-pair states in silicon, an important element in the fast-developing field of spintronics and quantum computation. Despite the perceived weak spin-orbit coupling (SOC) in Si, we find that our discovered relaxation mechanism, combined with the electron-phonon and interdonor interactions, drives the transitions in the two-electron states over a large range of donor coupling regimes. The scaling of the relaxation rate with interdonor exchange interaction J goes from J5 to J4 at the low to high temperature limits. Our analytical study draws on the symmetry analysis over combined band, donor envelope, and valley configurations. It uncovers naturally the dependence on the donor-alignment direction and triplet spin orientation, and especially on the dominant SOC source from donor impurities. While a magnetic field is not necessary for this relaxation, unlike in the single-donor spin relaxation, we discuss the crossover behavior with increasing Zeeman energy in order to facilitate comparison with experiments.

  3. Natural bond orbital analysis in the ONETEP code: applications to large protein systems.

    PubMed

    Lee, Louis P; Cole, Daniel J; Payne, Mike C; Skylaris, Chris-Kriton

    2013-03-05

    First principles electronic structure calculations are typically performed in terms of molecular orbitals (or bands), providing a straightforward theoretical avenue for approximations of increasing sophistication, but do not usually provide any qualitative chemical information about the system. We can derive such information via post-processing using natural bond orbital (NBO) analysis, which produces a chemical picture of bonding in terms of localized Lewis-type bond and lone pair orbitals that we can use to understand molecular structure and interactions. We present NBO analysis of large-scale calculations with the ONETEP linear-scaling density functional theory package, which we have interfaced with the NBO 5 analysis program. In ONETEP calculations involving thousands of atoms, one is typically interested in particular regions of a nanosystem whilst accounting for long-range electronic effects from the entire system. We show that by transforming the Non-orthogonal Generalized Wannier Functions of ONETEP to natural atomic orbitals, NBO analysis can be performed within a localized region in such a way that ensures the results are identical to an analysis on the full system. We demonstrate the capabilities of this approach by performing illustrative studies of large proteins--namely, investigating changes in charge transfer between the heme group of myoglobin and its ligands with increasing system size and between a protein and its explicit solvent, estimating the contribution of electronic delocalization to the stabilization of hydrogen bonds in the binding pocket of a drug-receptor complex, and observing, in situ, the n → π* hyperconjugative interactions between carbonyl groups that stabilize protein backbones. Copyright © 2012 Wiley Periodicals, Inc.

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

    NASA Astrophysics Data System (ADS)

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

    2015-01-01

    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 3P 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 a4Σ- 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.

  5. Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)].

    PubMed

    Guo, Yang; Riplinger, Christoph; Becker, Ute; Liakos, Dimitrios G; Minenkov, Yury; Cavallo, Luigi; Neese, Frank

    2018-01-07

    In this communication, an improved perturbative triples correction (T) algorithm for domain based local pair-natural orbital singles and doubles coupled cluster (DLPNO-CCSD) theory is reported. In our previous implementation, the semi-canonical approximation was used and linear scaling was achieved for both the DLPNO-CCSD and (T) parts of the calculation. In this work, we refer to this previous method as DLPNO-CCSD(T 0 ) to emphasize the semi-canonical approximation. It is well-established that the DLPNO-CCSD method can predict very accurate absolute and relative energies with respect to the parent canonical CCSD method. However, the (T 0 ) approximation may introduce significant errors in absolute energies as the triples correction grows up in magnitude. In the majority of cases, the relative energies from (T 0 ) are as accurate as the canonical (T) results of themselves. Unfortunately, in rare cases and in particular for small gap systems, the (T 0 ) approximation breaks down and relative energies show large deviations from the parent canonical CCSD(T) results. To address this problem, an iterative (T) algorithm based on the previous DLPNO-CCSD(T 0 ) algorithm has been implemented [abbreviated here as DLPNO-CCSD(T)]. Using triples natural orbitals to represent the virtual spaces for triples amplitudes, storage bottlenecks are avoided. Various carefully designed approximations ease the computational burden such that overall, the increase in the DLPNO-(T) calculation time over DLPNO-(T 0 ) only amounts to a factor of about two (depending on the basis set). Benchmark calculations for the GMTKN30 database show that compared to DLPNO-CCSD(T 0 ), the errors in absolute energies are greatly reduced and relative energies are moderately improved. The particularly problematic case of cumulene chains of increasing lengths is also successfully addressed by DLPNO-CCSD(T).

  6. Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)

    NASA Astrophysics Data System (ADS)

    Guo, Yang; Riplinger, Christoph; Becker, Ute; Liakos, Dimitrios G.; Minenkov, Yury; Cavallo, Luigi; Neese, Frank

    2018-01-01

    In this communication, an improved perturbative triples correction (T) algorithm for domain based local pair-natural orbital singles and doubles coupled cluster (DLPNO-CCSD) theory is reported. In our previous implementation, the semi-canonical approximation was used and linear scaling was achieved for both the DLPNO-CCSD and (T) parts of the calculation. In this work, we refer to this previous method as DLPNO-CCSD(T0) to emphasize the semi-canonical approximation. It is well-established that the DLPNO-CCSD method can predict very accurate absolute and relative energies with respect to the parent canonical CCSD method. However, the (T0) approximation may introduce significant errors in absolute energies as the triples correction grows up in magnitude. In the majority of cases, the relative energies from (T0) are as accurate as the canonical (T) results of themselves. Unfortunately, in rare cases and in particular for small gap systems, the (T0) approximation breaks down and relative energies show large deviations from the parent canonical CCSD(T) results. To address this problem, an iterative (T) algorithm based on the previous DLPNO-CCSD(T0) algorithm has been implemented [abbreviated here as DLPNO-CCSD(T)]. Using triples natural orbitals to represent the virtual spaces for triples amplitudes, storage bottlenecks are avoided. Various carefully designed approximations ease the computational burden such that overall, the increase in the DLPNO-(T) calculation time over DLPNO-(T0) only amounts to a factor of about two (depending on the basis set). Benchmark calculations for the GMTKN30 database show that compared to DLPNO-CCSD(T0), the errors in absolute energies are greatly reduced and relative energies are moderately improved. The particularly problematic case of cumulene chains of increasing lengths is also successfully addressed by DLPNO-CCSD(T).

  7. Binary Star Orbits. V. The Nearby White Dwarf/Red Dwarf Pair 40 Eri BC

    NASA Astrophysics Data System (ADS)

    Mason, Brian D.; Hartkopf, William I.; Miles, Korie N.

    2017-11-01

    A new relative orbit solution with new dynamical masses is determined for the nearby white dwarf-red dwarf pair 40 Eri BC. The period is 230.09 ± 0.68 years. It is predicted to close slowly over the next half-century, getting as close as 1.″32 in early 2066. We determine masses of 0.575 ± 0.018 {{ M }}⊙ for the white dwarf and 0.2041 ± 0.0064 {{ M }}⊙ for the red dwarf companion. The inconsistency of the masses determined by gravitational redshift and dynamical techniques, due to a premature orbit calculation, no longer exists.

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dunning, Thom H., E-mail: thdjr@uw.edu; 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 pairmore » 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.« less

  9. Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pinski, Peter; Riplinger, Christoph; Neese, Frank, E-mail: evaleev@vt.edu, E-mail: frank.neese@cec.mpg.de

    2015-07-21

    In this work, a systematic infrastructure is described that formalizes concepts implicit in previous work and greatly simplifies computer implementation of reduced-scaling electronic structure methods. The key concept is sparse representation of tensors using chains of sparse maps between two index sets. Sparse map representation can be viewed as a generalization of compressed sparse row, a common representation of a sparse matrix, to tensor data. By combining few elementary operations on sparse maps (inversion, chaining, intersection, etc.), complex algorithms can be developed, illustrated here by a linear-scaling transformation of three-center Coulomb integrals based on our compact code library that implementsmore » sparse maps and operations on them. The sparsity of the three-center integrals arises from spatial locality of the basis functions and domain density fitting approximation. A novel feature of our approach is the use of differential overlap integrals computed in linear-scaling fashion for screening products of basis functions. Finally, a robust linear scaling domain based local pair natural orbital second-order Möller-Plesset (DLPNO-MP2) method is described based on the sparse map infrastructure that only depends on a minimal number of cutoff parameters that can be systematically tightened to approach 100% of the canonical MP2 correlation energy. With default truncation thresholds, DLPNO-MP2 recovers more than 99.9% of the canonical resolution of the identity MP2 (RI-MP2) energy while still showing a very early crossover with respect to the computational effort. Based on extensive benchmark calculations, relative energies are reproduced with an error of typically <0.2 kcal/mol. The efficiency of the local MP2 (LMP2) method can be drastically improved by carrying out the LMP2 iterations in a basis of pair natural orbitals. While the present work focuses on local electron correlation, it is of much broader applicability to computation with sparse

  10. Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals.

    PubMed

    Pinski, Peter; Riplinger, Christoph; Valeev, Edward F; Neese, Frank

    2015-07-21

    In this work, a systematic infrastructure is described that formalizes concepts implicit in previous work and greatly simplifies computer implementation of reduced-scaling electronic structure methods. The key concept is sparse representation of tensors using chains of sparse maps between two index sets. Sparse map representation can be viewed as a generalization of compressed sparse row, a common representation of a sparse matrix, to tensor data. By combining few elementary operations on sparse maps (inversion, chaining, intersection, etc.), complex algorithms can be developed, illustrated here by a linear-scaling transformation of three-center Coulomb integrals based on our compact code library that implements sparse maps and operations on them. The sparsity of the three-center integrals arises from spatial locality of the basis functions and domain density fitting approximation. A novel feature of our approach is the use of differential overlap integrals computed in linear-scaling fashion for screening products of basis functions. Finally, a robust linear scaling domain based local pair natural orbital second-order Möller-Plesset (DLPNO-MP2) method is described based on the sparse map infrastructure that only depends on a minimal number of cutoff parameters that can be systematically tightened to approach 100% of the canonical MP2 correlation energy. With default truncation thresholds, DLPNO-MP2 recovers more than 99.9% of the canonical resolution of the identity MP2 (RI-MP2) energy while still showing a very early crossover with respect to the computational effort. Based on extensive benchmark calculations, relative energies are reproduced with an error of typically <0.2 kcal/mol. The efficiency of the local MP2 (LMP2) method can be drastically improved by carrying out the LMP2 iterations in a basis of pair natural orbitals. While the present work focuses on local electron correlation, it is of much broader applicability to computation with sparse tensors in

  11. The Orbits of Meteorites from Natural Thermoluminescence. Attachment 5

    NASA Technical Reports Server (NTRS)

    Benoit, P. H.; Sears, D. W. G.

    1997-01-01

    The natural thermoluminescence (TL) of meteorites reflects their irradiation and thermal histories. Virtually all ordinary chondrites have been irradiated long enough to reach saturation natural TL levels, and thus natural TL levels in these meteorites are determined largely by thermal history. The primary heat source for most meteorites is the Sun, and thus natural TL levels are determined primarily by the closest approach to the Sun, i.e., perihelion. By converting natural TL levels to perihelia, using an assumed albedo typical of meteoroid bodies, it is found that most ordinary chondrites had perihelia of 0.85 to 1.0 AU prior to reaching Earth. This range is similar to that calculated from meteor and fireball observations. All common classes of ordinary chondrites exhibit similar perihelia distributions; however, H and LL chondrites that fell in the local morning differ in their natural TL distribution from those that fell in the local afternoon or evening. This is consistent with earlier suggestions that time of fall reflects orbital distribution. The data also suggest that the orbits of some of the H chondrites cluster and may have come from a debris 'stream' of meteoroids. If meteorites can exist in "orbital groups," significant changes in the types and number of meteorites reaching Earth could occur on the less than 10(exp 5)-year time scale.

  12. A nucleon-pair and boson coexistent description of nuclei

    NASA Astrophysics Data System (ADS)

    Dai, Lianrong; Pan, Feng; Draayer, J. P.

    2017-07-01

    We study a mixture of s-bosons and like-nucleon pairs with the standard pairing interaction outside an inert core. Competition between the nucleon-pairs and s-bosons is investigated in this scenario. The robustness of the BCS-BEC coexistence and crossover phenomena are examined through an analysis of pf-shell nuclei with realistic single-particle energies, in which two configurations with Pauli blocking of nucleon-pair orbits due to the formation of the s-bosons is taken into account. When the nucleon-pair orbits are considered to be independent of the s-bosons, the BCS-BEC crossover becomes smooth, with the number of the s-bosons noticeably more than that of the nucleon-pairs near the half-shell point, a feature that is demonstrated in the pf-shell for several values of the standard pairing interaction strength. As a further test of the robustness of the BCS-BEC coexistence and crossover phenomena in nuclei, results are given for values of even-even 102-130Sn with 100Sn taken as a core and valence neutron pairs confined within the 1d 5/2, 0g 7/2, 1d 3/2, 2s 1/2, 1h 11/2 orbits in the nucleon-pair orbit and the s-boson independent approximation. The results indicate that the B(E2) values are reproduced well. Supported by National Natural Science Foundation of China (11375080, 11675071), the U.S. National Science Foundation (OCI-0904874 and ACI-1516338), U. S. Department of Energy (DE-SC0005248), the Southeastern Universities Research Association, the China-U. S. Theory Institute for Physics with Exotic Nuclei (CUSTIPEN) (DE-SC0009971), and the LSU-LNNU joint research program (9961) is acknowledged

  13. Natural orbital environment definition guidelines for use in aerospace vehicle development

    NASA Technical Reports Server (NTRS)

    Anderson, B. Jeffrey (Editor); Smith, Robert E. (Compiler)

    1994-01-01

    This document provides definitions of the natural near-Earth space environment suitable for use in the initial development/design phase of any space vehicle. The natural environment includes the neutral atmosphere, plasma, charged particle radiation, electromagnetic radiation (EMR), meteoroids, orbital debris, magnetic field, physical and thermal constants, and gravitational field. Communications and other unmanned satellites operate in geosynchronous-Earth orbit (GEO); therefore, some data are given for GEO, but emphasis is on altitudes from 200 km to 1000 km (low-Earth orbit (LEO)). This document does not cover the induced environment of other effects resulting from presence of the space vehicle. Manmade factors are included as part of the ambient natural environment; i.e., orbital debris and radio frequency (RF) noise generated on Earth, because they are not caused by the presence of the space vehicle but form part of the ambient environment that the space vehicle experiences.

  14. A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory.

    PubMed

    Saitow, Masaaki; Becker, Ute; Riplinger, Christoph; Valeev, Edward F; Neese, Frank

    2017-04-28

    The Coupled-Cluster expansion, truncated after single and double excitations (CCSD), provides accurate and reliable molecular electronic wave functions and energies for many molecular systems around their equilibrium geometries. However, the high computational cost, which is well-known to scale as O(N 6 ) with system size N, has limited its practical application to small systems consisting of not more than approximately 20-30 atoms. To overcome these limitations, low-order scaling approximations to CCSD have been intensively investigated over the past few years. In our previous work, we have shown that by combining the pair natural orbital (PNO) approach and the concept of orbital domains it is possible to achieve fully linear scaling CC implementations (DLPNO-CCSD and DLPNO-CCSD(T)) that recover around 99.9% of the total correlation energy [C. Riplinger et al., J. Chem. Phys. 144, 024109 (2016)]. The production level implementations of the DLPNO-CCSD and DLPNO-CCSD(T) methods were shown to be applicable to realistic systems composed of a few hundred atoms in a routine, black-box fashion on relatively modest hardware. In 2011, a reduced-scaling CCSD approach for high-spin open-shell unrestricted Hartree-Fock reference wave functions was proposed (UHF-LPNO-CCSD) [A. Hansen et al., J. Chem. Phys. 135, 214102 (2011)]. After a few years of experience with this method, a few shortcomings of UHF-LPNO-CCSD were noticed that required a redesign of the method, which is the subject of this paper. To this end, we employ the high-spin open-shell variant of the N-electron valence perturbation theory formalism to define the initial guess wave function, and consequently also the open-shell PNOs. The new PNO ansatz properly converges to the closed-shell limit since all truncations and approximations have been made in strict analogy to the closed-shell case. Furthermore, given the fact that the formalism uses a single set of orbitals, only a single PNO integral transformation is

  15. A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory

    NASA Astrophysics Data System (ADS)

    Saitow, Masaaki; Becker, Ute; Riplinger, Christoph; Valeev, Edward F.; Neese, Frank

    2017-04-01

    The Coupled-Cluster expansion, truncated after single and double excitations (CCSD), provides accurate and reliable molecular electronic wave functions and energies for many molecular systems around their equilibrium geometries. However, the high computational cost, which is well-known to scale as O(N6) with system size N, has limited its practical application to small systems consisting of not more than approximately 20-30 atoms. To overcome these limitations, low-order scaling approximations to CCSD have been intensively investigated over the past few years. In our previous work, we have shown that by combining the pair natural orbital (PNO) approach and the concept of orbital domains it is possible to achieve fully linear scaling CC implementations (DLPNO-CCSD and DLPNO-CCSD(T)) that recover around 99.9% of the total correlation energy [C. Riplinger et al., J. Chem. Phys. 144, 024109 (2016)]. The production level implementations of the DLPNO-CCSD and DLPNO-CCSD(T) methods were shown to be applicable to realistic systems composed of a few hundred atoms in a routine, black-box fashion on relatively modest hardware. In 2011, a reduced-scaling CCSD approach for high-spin open-shell unrestricted Hartree-Fock reference wave functions was proposed (UHF-LPNO-CCSD) [A. Hansen et al., J. Chem. Phys. 135, 214102 (2011)]. After a few years of experience with this method, a few shortcomings of UHF-LPNO-CCSD were noticed that required a redesign of the method, which is the subject of this paper. To this end, we employ the high-spin open-shell variant of the N-electron valence perturbation theory formalism to define the initial guess wave function, and consequently also the open-shell PNOs. The new PNO ansatz properly converges to the closed-shell limit since all truncations and approximations have been made in strict analogy to the closed-shell case. Furthermore, given the fact that the formalism uses a single set of orbitals, only a single PNO integral transformation is

  16. Hormonal predictors of women's extra-pair vs. in-pair sexual attraction in natural cycles: Implications for extended sexuality.

    PubMed

    Grebe, Nicholas M; Emery Thompson, Melissa; Gangestad, Steven W

    2016-02-01

    In naturally cycling women, Roney and Simmons (2013) examined hormonal correlates of their desire for sexual contact. Estradiol was positively associated, and progesterone negatively associated, with self-reported desire. The current study extended these findings by examining, within a sample of 33 naturally cycling women involved in romantic relationships, hormonal correlates of sexual attraction to or interests in specific targets: women's own primary partner or men other than women's primary partner. Women's sexual interests and hormone (estradiol, progesterone, and testosterone) levels were assessed at two different time points. Whereas estradiol levels were associated with relatively greater extra-pair sexual interests than in-pair sexual interests, progesterone levels were associated with relatively greater in-pair sexual interests. Both hormones specifically predicted in-pair sexual desire, estradiol negatively and progesterone positively. These findings have implications for understanding the function of women's extended sexuality - their sexual proceptivity and receptivity outside the fertile phase, especially during the luteal phase. Copyright © 2015 Elsevier Inc. All rights reserved.

  17. Comparison and combination of "direct" and fragment based local correlation methods: Cluster in molecules and domain based local pair natural orbital perturbation and coupled cluster theories

    NASA Astrophysics Data System (ADS)

    Guo, Yang; Becker, Ute; Neese, Frank

    2018-03-01

    Local correlation theories have been developed in two main flavors: (1) "direct" local correlation methods apply local approximation to the canonical equations and (2) fragment based methods reconstruct the correlation energy from a series of smaller calculations on subsystems. The present work serves two purposes. First, we investigate the relative efficiencies of the two approaches using the domain-based local pair natural orbital (DLPNO) approach as the "direct" method and the cluster in molecule (CIM) approach as the fragment based approach. Both approaches are applied in conjunction with second-order many-body perturbation theory (MP2) as well as coupled-cluster theory with single-, double- and perturbative triple excitations [CCSD(T)]. Second, we have investigated the possible merits of combining the two approaches by performing CIM calculations with DLPNO methods serving as the method of choice for performing the subsystem calculations. Our cluster-in-molecule approach is closely related to but slightly deviates from approaches in the literature since we have avoided real space cutoffs. Moreover, the neglected distant pair correlations in the previous CIM approach are considered approximately. Six very large molecules (503-2380 atoms) were studied. At both MP2 and CCSD(T) levels of theory, the CIM and DLPNO methods show similar efficiency. However, DLPNO methods are more accurate for 3-dimensional systems. While we have found only little incentive for the combination of CIM with DLPNO-MP2, the situation is different for CIM-DLPNO-CCSD(T). This combination is attractive because (1) the better parallelization opportunities offered by CIM; (2) the methodology is less memory intensive than the genuine DLPNO-CCSD(T) method and, hence, allows for large calculations on more modest hardware; and (3) the methodology is applicable and efficient in the frequently met cases, where the largest subsystem calculation is too large for the canonical CCSD(T) method.

  18. Concealed d -wave pairs in the s ± condensate of iron-based superconductors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ong, Tzen; Coleman, Piers; Schmalian, Jörg

    A central question in iron-based superconductivity is the mechanism by which the paired electrons minimize their strong mutual Coulomb repulsion. In most unconventional superconductors, Coulomb repulsion is minimized through the formation of higher angular momentum Cooper pairs, with Fermi surface nodes in the pair wavefunction. The apparent absence of such nodes in the iron-based superconductors has led to a belief they form an s-wave (s ±) singlet state, which changes sign between the electron and hole pockets. However, the multiorbital nature of these systems opens an alternative possibility. In this paper, we propose a new class of s ± statemore » containing a condensate of d-wave Cooper pairs, concealed by their entanglement with the iron orbitals. By combining the d-wave (L=2) motion of the pairs with the internal angular momenta I =2 of the iron orbitals to make a singlet (J =L+I =0), an s ± superconductor with a nontrivial topology is formed. This scenario allows us to understand the development of octet nodes in potassium-doped Ba 1$-$xK XFe 2As 2 as a reconfiguration of the orbital and internal angular momentum into a high spin (J =L+I =4) state; the reverse transition under pressure into a fully gapped state can then be interpreted as a return to the low-spin singlet. Finally, the formation of orbitally entangled pairs is predicted to give rise to a shift in the orbital content at the Fermi surface, which can be tested via laser-based angle-resolved photoemission spectroscopy.« less

  19. Concealed d -wave pairs in the s ± condensate of iron-based superconductors

    DOE PAGES

    Ong, Tzen; Coleman, Piers; Schmalian, Jörg

    2016-05-02

    A central question in iron-based superconductivity is the mechanism by which the paired electrons minimize their strong mutual Coulomb repulsion. In most unconventional superconductors, Coulomb repulsion is minimized through the formation of higher angular momentum Cooper pairs, with Fermi surface nodes in the pair wavefunction. The apparent absence of such nodes in the iron-based superconductors has led to a belief they form an s-wave (s ±) singlet state, which changes sign between the electron and hole pockets. However, the multiorbital nature of these systems opens an alternative possibility. In this paper, we propose a new class of s ± statemore » containing a condensate of d-wave Cooper pairs, concealed by their entanglement with the iron orbitals. By combining the d-wave (L=2) motion of the pairs with the internal angular momenta I =2 of the iron orbitals to make a singlet (J =L+I =0), an s ± superconductor with a nontrivial topology is formed. This scenario allows us to understand the development of octet nodes in potassium-doped Ba 1$-$xK XFe 2As 2 as a reconfiguration of the orbital and internal angular momentum into a high spin (J =L+I =4) state; the reverse transition under pressure into a fully gapped state can then be interpreted as a return to the low-spin singlet. Finally, the formation of orbitally entangled pairs is predicted to give rise to a shift in the orbital content at the Fermi surface, which can be tested via laser-based angle-resolved photoemission spectroscopy.« less

  20. Concealed d-wave pairs in the s± condensate of iron-based superconductors.

    PubMed

    Ong, Tzen; Coleman, Piers; Schmalian, Jörg

    2016-05-17

    A central question in iron-based superconductivity is the mechanism by which the paired electrons minimize their strong mutual Coulomb repulsion. In most unconventional superconductors, Coulomb repulsion is minimized through the formation of higher angular momentum Cooper pairs, with Fermi surface nodes in the pair wavefunction. The apparent absence of such nodes in the iron-based superconductors has led to a belief they form an s-wave ([Formula: see text]) singlet state, which changes sign between the electron and hole pockets. However, the multiorbital nature of these systems opens an alternative possibility. Here, we propose a new class of [Formula: see text] state containing a condensate of d-wave Cooper pairs, concealed by their entanglement with the iron orbitals. By combining the d-wave ([Formula: see text]) motion of the pairs with the internal angular momenta [Formula: see text] of the iron orbitals to make a singlet ([Formula: see text]), an [Formula: see text] superconductor with a nontrivial topology is formed. This scenario allows us to understand the development of octet nodes in potassium-doped Ba1-x KXFe2As2 as a reconfiguration of the orbital and internal angular momentum into a high spin ([Formula: see text]) state; the reverse transition under pressure into a fully gapped state can then be interpreted as a return to the low-spin singlet. The formation of orbitally entangled pairs is predicted to give rise to a shift in the orbital content at the Fermi surface, which can be tested via laser-based angle-resolved photoemission spectroscopy.

  1. Reliability of the pair-defect-sum approximation for the strength of valence-bond orbitals

    PubMed Central

    Pauling, Linus; Herman, Zelek S.; Kamb, Barclay J.

    1982-01-01

    The pair-defect-sum approximation to the bond strength of a hybrid orbital (angular wave functions only) is compared to the rigorous value as a function of bond angle for seven types of bonding situations, with between three and eight bond directions equivalent by geometrical symmetry operations and with only one independent bond angle. The approximation is seen to be an excellent one in all cases, and the results provide a rationale for the application of this approximation to a variety of problems. PMID:16593167

  2. Chiral sp-orbital paired superfluid of fermionic atoms in a 2D spin-dependent optical lattice

    NASA Astrophysics Data System (ADS)

    Liu, Bo; Li, Xiaopeng; Wu, Biao; Liu, W. Vincent

    2014-03-01

    Recent progress in realizing synthetic quantum orbital materials in chequerboard and hexagonal optical lattices opens an avenue towards exploiting unconventional quantum states, advancing our understanding of correlated quantum matter. Here, we unveil a chiral sp -orbital paired superfluid state for an interacting two-component Fermi gas in a 2D spin-dependent optical lattice. Surprisingly, this novel state is found to exist in a wide regime of experimentally tunable interaction strengths. The coexistence of this chiral superfluid and the ferro-orbital order is reminiscent of that of magnetism and superconductivity which is a long-standing issue in condensed matter physics. The topological properties are demonstrated by the existence of gapless chiral fermions in the presence of domain wall defects, reminiscent of quantum Hall edge states. Such properties can be measured by radio frequency spectroscopy in cold atomic experiments. Work supported in part by U.S. ARO, AFOSR, and DARPA-OLE-ARO, Kaufman Foundation, and NSF of China.

  3. Wigner molecules: natural orbitals of strongly correlated two-electron harmonium.

    PubMed

    Cioslowski, Jerzy; Buchowiecki, Marcin

    2006-08-14

    Explicit asymptotic expressions for natural orbitals and their occupancies are derived for the harmonium atom at the strong-correlation limit at which the confinement strength omega tends to zero. Unlike in systems with moderate correlation effects, the occupancies at the omega-->0 limit (derived from occupation amplitudes with alternating sign patterns) are vanishingly small and asymptotically independent of the angular momentum, forming a geometric progression with the scale factor proportional to omega(1/3) and the common ratio of ca. 0.0186. The radial components of the natural orbitals are given by products of polynomials and Gaussian functions that, as expected, peak at approximately half of the equilibrium interelectron distance.

  4. A Survey Of Earth-Moon Libration Orbits: Stationkeeping Strategies And Intra-Orbit Transfers

    NASA Technical Reports Server (NTRS)

    Folta, David; Vaughn, Frank

    2004-01-01

    Cislunar space is a readily accessible region that may well develop into a prime staging area in the effort to colonize space near Earth or to colonize the Moon. While there have been statements made by various NASA programs regarding placement of resources in orbit about the Earth-Moon Lagrangian locations, there is no survey of the total cost associated with attaining and maintaining these unique orbits in an operational fashion. Transfer trajectories between these orbits required for assembly, servicing, and positioning of these resources have not been extensively investigated. These orbits are dynamically similar to those used for the Sun-Earth missions, but differences in governing gravitational ratios and perturbation sources result in unique characteristics. We implement numerical computations using high fidelity models and linear and nonlinear targeting techniques to compute the various maneuver (Delta)V and temporal costs associated with orbits about each of the Earth-Moon Lagrangian locations (L1, L2, L3, L4, and L5). From a dynamical system standpoint, we speak to the nature of these orbits and their stability. We address the cost of transfers between each pair of Lagrangian locations.

  5. Asteroid clusters similar to asteroid pairs

    NASA Astrophysics Data System (ADS)

    Pravec, Petr; Vokrouhlicky, David; Fatka, Petr; Kusnirák, Peter; Hornoch, Kamil; Galád, Adrián

    2016-10-01

    We study five small, tight and young clusters of asteroids. They are placed around following largest (primary) bodies: (11842) Kap'bos, (14627) Emilkowalski, (16598) 1992 YC2, (21509) Lucascavin and (39991) 1998 HR37. Each cluster has 2-4 secondaries that are tightly clustered around the primary body, with distance in the 5-dimensional space of mean orbital elements mostly within 10 m/s, and always < 23 m/s. Backward orbital integrations indicate that they formed between 105 and 106 yr ago. In the P1-q space, where P1 is the primary's spin period and q = Σ Mj/M1 is the total secondary-to-primary mass ratio, the clusters lie in the same range as asteroid pairs formed by rotational fission. We have extended the model of a proto-system separation after rotational fission by Pravec et al. (2010) for application to systems with more than one secondary and found a perfect match for the five tight clusters. We find these clusters to be similar to asteroid pairs and we suggest that they are "extended pairs", having 2-4 escaped secondaries rather than just one secondary as in the case of an asteroid pair. We compare them to six young mini-families (1270) Datura, (2384) Schulhof, (3152) Jones, (6825) Irvine, (10321) Rampo and (20674) 1999 VT1. These mini-families have similar ages, but they have a higher number of members and/or they show a significantly larger spread in the mean orbital elements (dmean on an order of tens m/s) than the five tight clusters. In the P1-q space, all but one of the mini-families lie in the same range as asteroid pairs and the tight clusters; the exception is the mini-family of (3152) Jones which appears to be a collisional family. A possibility that the other five mini-families were also formed by rotational fission as we suggest for the tight clusters ("extended asteroid pairs") is being explored.Reference:Pravec, P., et al. Formation of asteroid pairs by rotational fission. Nature 466, 1085-1088.

  6. Natural and Induced Environment in Low Earth Orbit

    NASA Technical Reports Server (NTRS)

    Wilson, John W.; Badavi, Francis F.; Kim, Myung-Hee Y.; Clowdsley, Martha S.; Heinbockel, John H.; Cucinotta, Francis A.; Badhwar, Gautam D.; Atwell, William; Huston, Stuart L.

    2002-01-01

    The long-term exposure of astronauts on the developing International Space Station (ISS) requires an accurate knowledge of the internal exposure environment for human risk assessment and other onboard processes. The natural environment is moderated by the solar wind which varies over the solar cycle. The neutron environment within the Shuttle in low Earth orbit has two sources. A time dependent model for the ambient environment is used to evaluate the natural and induced environment. The induced neutron environment is evaluated using measurements on STS-31 and STS-36 near the 1990 solar maximum.

  7. Phase dilemma in natural orbital functional theory from the N-representability perspective

    NASA Astrophysics Data System (ADS)

    Mitxelena, Ion; Rodriguez-Mayorga, Mauricio; Piris, Mario

    2018-06-01

    Any rigorous approach to first-order reduced density matrix ( Γ) functional theory faces the phase dilemma, that is, having to deal with a large number of possible combinations of signs in terms of the electron-electron interaction energy. This problem was discovered by reducing a ground-state energy generated from an approximate N-particle wavefunction into a functional of Γ, known as the top-down method. Here, we show that the phase dilemma also appears in the bottom-up method, in which the functional E[ Γ] is generated by progressive inclusion of N-representability conditions on the reconstructed two-particle reduced density matrix. It is shown that an adequate choice of signs is essential to accurately describe model systems with strong non-dynamic (static) electron correlation, specifically, the one-dimensional Hubbard model with periodic boundary conditions and hydrogen rings. For the latter, the Piris natural orbital functional 7 (PNOF7), with phases equal to -1 for the inter-pair energy terms containing the exchange-time-inversion integrals, agrees with exact diagonalization results.

  8. The Lewis Electron-Pair Model, Spectroscopy, and the Role of the Orbital Picture in Describing the Electronic Sructure of Molecules.

    ERIC Educational Resources Information Center

    Gallup, G. A.

    1988-01-01

    Describes why specific forms of orbitals used to interpret spectroscopy involving electronic transitions may not say much about the electronic structure of molecules. Discusses several theoretical approaches to explain the anomoly. Determines that the Lewis electron-pair model for molecules is a good predictor of spectroscopic results. (ML)

  9. H4: A challenging system for natural orbital functional approximations

    NASA Astrophysics Data System (ADS)

    Ramos-Cordoba, Eloy; Lopez, Xabier; Piris, Mario; Matito, Eduard

    2015-10-01

    The correct description of nondynamic correlation by electronic structure methods not belonging to the multireference family is a challenging issue. The transition of D2h to D4h symmetry in H4 molecule is among the most simple archetypal examples to illustrate the consequences of missing nondynamic correlation effects. The resurgence of interest in density matrix functional methods has brought several new methods including the family of Piris Natural Orbital Functionals (PNOF). In this work, we compare PNOF5 and PNOF6, which include nondynamic electron correlation effects to some extent, with other standard ab initio methods in the H4 D4h/D2h potential energy surface (PES). Thus far, the wrongful behavior of single-reference methods at the D2h-D4h transition of H4 has been attributed to wrong account of nondynamic correlation effects, whereas in geminal-based approaches, it has been assigned to a wrong coupling of spins and the localized nature of the orbitals. We will show that actually interpair nondynamic correlation is the key to a cusp-free qualitatively correct description of H4 PES. By introducing interpair nondynamic correlation, PNOF6 is shown to avoid cusps and provide the correct smooth PES features at distances close to the equilibrium, total and local spin properties along with the correct electron delocalization, as reflected by natural orbitals and multicenter delocalization indices.

  10. Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree-Fock theory.

    PubMed

    Tsuchimochi, Takashi; Henderson, Thomas M; Scuseria, Gustavo E; Savin, Andreas

    2010-10-07

    Our previously developed constrained-pairing mean-field theory (CPMFT) is shown to map onto an unrestricted Hartree-Fock (UHF) type method if one imposes a corresponding pair constraint to the correlation problem that forces occupation numbers to occur in pairs adding to one. In this new version, CPMFT has all the advantages of standard independent particle models (orbitals and orbital energies, to mention a few), yet unlike UHF, it can dissociate polyatomic molecules to the correct ground-state restricted open-shell Hartree-Fock atoms or fragments.

  11. A well-scaling natural orbital theory

    DOE PAGES

    Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto

    2016-11-01

    Here, we introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled approximations to the two-particle density matrix that yield algebraic scaling in general, and Hartree–Fock scaling in its seniority-zero version. Results from the latter version for small molecular systems are compared with those of highly accurate quantum-chemical computations. The energies lie above full configuration interaction calculations, close to doubly occupied configuration interaction calculations. Their accuracy is considerably greater than that obtained from current density-functional theory approximations and from current functionals ofmore » the oneparticle density matrix.« less

  12. A well-scaling natural orbital theory

    PubMed Central

    Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto

    2016-01-01

    We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled approximations to the two-particle density matrix that yield algebraic scaling in general, and Hartree–Fock scaling in its seniority-zero version. Results from the latter version for small molecular systems are compared with those of highly accurate quantum-chemical computations. The energies lie above full configuration interaction calculations, close to doubly occupied configuration interaction calculations. Their accuracy is considerably greater than that obtained from current density-functional theory approximations and from current functionals of the one-particle density matrix. PMID:27803328

  13. Wobbly Planet Orbital Schematic Illustration

    NASA Image and Video Library

    2014-02-04

    This illustration shows the unusual orbit of planet Kepler-413b around a close pair of orange and red dwarf stars. The planet 66-day orbit is tilted 2.5 degrees with respect to the plane of the binary stars orbit.

  14. Prospective very young asteroid pairs

    NASA Astrophysics Data System (ADS)

    Galád, A.; Vokrouhlický, D.; Zizka, J.

    2014-07-01

    Several tens of asteroid pairs can be discerned from the background main-belt asteroids. The majority of them are thought to have formed within only the last few 10^6 yr. The youngest recognized pairs have formed more than ≈ 10 kyr ago. As some details of pair formation are still not understood well, the study of young pairs is of great importance. It is mainly because the conditions at the time of the pair formation could be deduced much more reliably for young pairs. For example, space weathering on the surfaces of the components, or changes in their rotational properties (in spin rates, tumbling, coordinates of rotational pole) could be negligible since the formation of young pairs. Also, possible strong perturbations by main-belt bodies on pair formation can be reliably studied only for extremely young pairs. Some pairs can quickly blend in with the background asteroids, so even the frequency of asteroid pair formation could be determined more reliably based on young pairs (though only after a statistically significant sample is at disposal). In our regular search for young pairs in the growing asteroid database, only multiopposition asteroids with very similar orbital and proper elements are investigated. Every pair component is represented by a number of clones within orbital uncertainties and drifting in semimajor axis due to the Yarkovsky effect. We found that, if the previously unrecognized pairs (87887) 2000 SS_{286} - 2002 AT_{49} and (355258) 2007 LY_{4} - 2013AF_{40} formed at the recent very close approach of their components, they could become the youngest known pairs. In both cases, the relative encounter velocities of the components were only ˜ 0.1 m s^{-1}. However, the minimum distances between some clones are too large and a few clones of the latter pair did not encounter recently (within ≈ 10 kyr). The age of some prospective young pairs cannot be determined reliably without improved orbital properties (e.g., the second component of a pair

  15. Extranodal natural killer/T-cell lymphoma presenting as orbital cellulitis

    PubMed Central

    Zuhaimy, Hanis; Aziz, Hayati Abdul; Vasudevan, Suresh; Hui Hui, Siah

    2017-01-01

    Objective: To report an aggressive case of extranodal natural killer/T-cell lymphoma (NKTCL) of the ethmoid sinus presenting as orbital cellulitis Method: Case report Results: A 56-year-old male presented with right eye redness, reduced vision, and periorbital swelling for 5 weeks duration associated with a two-month history of blocked nose. The visual acuity of the right eye was 6/18. The eye was proptosed with periorbital oedema and conjunctival chemosis. The pupil was mid-dilated but there was no relative afferent pupillary defect. The fundus was normal. The extraocular movements were restricted in all directions of gaze. Nasal endoscopy revealed pansinusitis that corresponded with CT scan orbit and paranasal sinuses findings. Despite treatment, he showed no clinical improvement. Ethmoidal sinus biopsies performed revealed extranodal NKTCL. Further imaging showed involvement of the right orbital contents and its adnexa with intracranial extension into the right cavernous sinus and meninges over right temporal fossa. The patient underwent chemotherapy. However he succumbed to his illness two months after the diagnosis. Conclusion: Extranodal NKTCL is a great mimicker. This case demonstrated how an acute initial presentation of extranodal NKTCL can present as orbital cellulitis with pansinusitis. PMID:28194321

  16. Application of Time-Dependent Density Functional and Natural Bond Orbital Theories to the UV-vis Absorption Spectra of Some Phenolic Compounds.

    PubMed

    Marković, Svetlana; Tošović, Jelena

    2015-09-03

    The UV-vis properties of 22 natural phenolic compounds, comprising anthraquinones, neoflavonoids, and flavonoids were systematically examined. The time-dependent density functional theory (TDDFT) approach in combination with the B3LYP, B3LYP-D2, B3P86, and M06-2X functionals was used to simulate the UV-vis spectra of the investigated compounds. It was shown that all methods exhibit very good (B3LYP slightly better) performance in reproducing the examined UV-vis spectra. However, the shapes of the Kohn-Sham molecular orbitals (MOs) involved in electronic transitions were misleading in constructing the MO correlation diagrams. To provide better understanding of redistribution of electron density upon excitation, the natural bond orbital (NBO) analysis was applied. Bearing in mind the spatial and energetic separations, as well as the character of the π bonding, lone pair, and π* antibonding natural localized molecular orbitals (NLMOs), the "NLMO clusters" were constructed. NLMO cluster should be understood as a part of a molecule characterized with distinguished electron density. It was shown that all absorption bands including all electronic transitions need to be inspected to fully understand the UV-vis spectrum of a certain compound, and, thus, to learn more about its UV-vis light absorption. Our investigation showed that the TDDFT and NBO theories are complementary, as the results from the two approaches can be combined to interpret the UV-vis spectra. Agreement between the predictions of the TDDFT approach and those based on the NLMO clusters is excellent in the case of major electronic transitions and long wavelengths. It should be emphasized that the approach for investigation of UV-vis light absorption based on the NLMO clusters is applied for the first time.

  17. Correlated natural transition orbital framework for low-scaling excitation energy calculations (CorNFLEx).

    PubMed

    Baudin, Pablo; Kristensen, Kasper

    2017-06-07

    We present a new framework for calculating coupled cluster (CC) excitation energies at a reduced computational cost. It relies on correlated natural transition orbitals (NTOs), denoted CIS(D')-NTOs, which are obtained by diagonalizing generalized hole and particle density matrices determined from configuration interaction singles (CIS) information and additional terms that represent correlation effects. A transition-specific reduced orbital space is determined based on the eigenvalues of the CIS(D')-NTOs, and a standard CC excitation energy calculation is then performed in that reduced orbital space. The new method is denoted CorNFLEx (Correlated Natural transition orbital Framework for Low-scaling Excitation energy calculations). We calculate second-order approximate CC singles and doubles (CC2) excitation energies for a test set of organic molecules and demonstrate that CorNFLEx yields excitation energies of CC2 quality at a significantly reduced computational cost, even for relatively small systems and delocalized electronic transitions. In order to illustrate the potential of the method for large molecules, we also apply CorNFLEx to calculate CC2 excitation energies for a series of solvated formamide clusters (up to 4836 basis functions).

  18. Design Considerations for a Dedicated Gravity Recovery Satellite Mission Consisting of Two Pairs of Satellites

    NASA Technical Reports Server (NTRS)

    Wiese, D. N.; Nerem, R. S.; Lemoine, F. G.

    2011-01-01

    Future satellite missions dedicated to measuring time-variable gravity will need to address the concern of temporal aliasing errors; i.e., errors due to high-frequency mass variations. These errors have been shown to be a limiting error source for future missions with improved sensors. One method of reducing them is to fly multiple satellite pairs, thus increasing the sampling frequency of the mission. While one could imagine a system architecture consisting of dozens of satellite pairs, this paper explores the more economically feasible option of optimizing the orbits of two pairs of satellites. While the search space for this problem is infinite by nature, steps have been made to reduce it via proper assumptions regarding some parameters and a large number of numerical simulations exploring appropriate ranges for other parameters. A search space originally consisting of 15 variables is reduced to two variables with the utmost impact on mission performance: the repeat period of both pairs of satellites (shown to be near-optimal when they are equal to each other), as well as the inclination of one of the satellite pairs (the other pair is assumed to be in a polar orbit). To arrive at this conclusion, we assume circular orbits, repeat groundtracks for both pairs of satellites, a 100-km inter-satellite separation distance, and a minimum allowable operational satellite altitude of 290 km based on a projected 10-year mission lifetime. Given the scientific objectives of determining time-variable hydrology, ice mass variations, and ocean bottom pressure signals with higher spatial resolution, we find that an optimal architecture consists of a polar pair of satellites coupled with a pair inclined at 72deg, both in 13-day repeating orbits. This architecture provides a 67% reduction in error over one pair of satellites, in addition to reducing the longitudinal striping to such a level that minimal post-processing is required, permitting a substantial increase in the spatial

  19. Intermolecular CH···O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study.

    PubMed

    Brovarets', Ol'ha O; Yurenko, Yevgen P; Hovorun, Dmytro M

    2014-01-01

    This study aims to cast light on the physico-chemical nature and energetic of the non-conventional CH···O/N H-bonds in the biologically important natural nucleobase pairs using a comprehensive quantum-chemical approach. As a whole, the 36 biologically important pairs, involving canonical and rare tautomers of nucleobases, were studied by means of all available up-to-date state-of-the-art quantum-chemical techniques along with quantum theory "Atoms in molecules" (QTAIM), Natural Bond Orbital (NBO) analysis, Grunenberg's compliance constants theory, geometrical and vibrational analyses to identify the CH···O/N interactions, reveal their physico-chemical nature and estimate their strengths as well as contribution to the overall base-pairs stability. It was shown that all the 38 CH···O/N contacts (25 CH···O and 13 CH···N H-bonds) completely satisfy all classical geometrical, electron-topological, in particular Bader's and "two-molecule" Koch and Popelier's, and vibrational criteria of H-bonding. The positive values of Grunenberg's compliance constants prove that the CH···O/N contacts in nucleobase pairs are stabilizing interactions unlike electrostatic repulsion and anti-H-bonds. NBO analysis indicates the electron density transfer from the lone electron pair of the acceptor atom (O/N) to the antibonding orbital corresponding to the donor group σ(∗)(CH). Moreover, significant increase in the frequency of the out-of-plane deformation modes γ (CH) under the formation of the CH···O (by 17.2÷81.3/10.8÷84.7 cm(-1)) and CH···N (by 32.7÷85.9/9.0÷77.9 cm(-1)) H-bonds at the density functional theory (DFT)/second-order Møller-Plesset (MP2) levels of theory, respectively, and concomitant changes of their intensities can be considered as reliable indicators of H-bonding. The strengths of the CH···O/N interactions, evaluated by means of Espinosa-Molins-Lecomte formula, lie within the range 0.45÷3.89/0.62÷4.10 kcal/mol for the CH

  20. Molecular docking, TG/DTA, molecular structure, harmonic vibrational frequencies, natural bond orbital and TD-DFT analysis of diphenyl carbonate by DFT approach

    NASA Astrophysics Data System (ADS)

    Xavier, S.; Periandy, S.; Carthigayan, K.; Sebastian, S.

    2016-12-01

    Vibrational spectral analysis of Diphenyl Carbonate (DPC) is carried out by using FT-IR and FT-Raman spectroscopic techniques. It is found that all vibrational modes are in the expected region. Gaussian computational calculations were performed using B3LYP method with 6-311++G (d, p) basis set. The computed geometric parameters are in good agreement with XRD data. The observation shows that the structure of the carbonate group is unsymmetrical by ∼5° due to the attachment of the two phenyl rings. The stability of the molecule arising from hyperconjugative interaction and charge delocalization are analyzed by Natural Bond Orbital (NBO) study and the results show the lone pair transition has higher stabilization energy compared to all other. The 1H and 13C NMR chemical shifts are calculated using the Gauge-Including Atomic Orbital (GIAO) method with B3LYP/6-311++G (d, p) method. The chemical shifts computed theoretically go very closer to the experimental results. A study on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies and Molecular electrostatic potential (MEP) exhibit the high reactivity nature of the molecule. The non-linear optical property of the DPC molecule predicted theoretically found to be good candidate for NLO material. TG/DTA analysis was made and decomposition of the molecule with respect to the temperature was studied. DPC having the anthelmintic activity is docked in the Hemoglobin of Fasciola hepatica protein. The DPC has been screened to antimicrobial activity and found to exhibit antibacterial effects.

  1. Correlation of nonorthogonality of best hybrid bond orbitals with bond strength of orthogonal orbitals.

    PubMed

    Pauling, L

    1976-02-01

    An expression is derived for the bond length of two spd orbitals with maximum values in two directions forming a given bond angle by consideration of the nonorthogonality integral of two best orbitals in these directions. This equation is equivalent to the expression derived by formulating the pair of orthogonal orbitals. Similar expressions are derived for spdf orbitals. Applications are made to icosahedral and cuboctahedral bonds and to the packing of nucleons in atomic nuclei.

  2. Natural killer/T-cell lymphoma invading the orbit and globe.

    PubMed

    Lyons, Lance J; Vrcek, Ivan; Somogyi, Marie; Taheri, Kevin; Admirand, Joan H; Chexal, Saradha; Loukas, Demetrius F; Nakra, Tanuj

    2017-10-01

    Natural killer/T-cell lymphomas are extremely rare and carry high mortality rates. Epidemiologically, these cancers tend to affect mainly Asian and South American patients and are associated with Epstein-Barr virus seropositivity. This report details a 78-year-old Vietnamese woman who presented initially with vitritis of unknown cause, but later developed proptosis and conjunctival involvement as her disease spread. Biopsies of the orbit, ethmoid sinus, and conjunctiva were found to be significant for natural killer/T-cell lymphoma. The case highlights the diagnostic difficulty of this tumor given its rarity and ability to mimic other disorders.

  3. Natural killer/T-cell lymphoma invading the orbit and globe

    PubMed Central

    Lyons, Lance J.; Somogyi, Marie; Taheri, Kevin; Admirand, Joan H.; Chexal, Saradha; Loukas, Demetrius F.; Nakra, Tanuj

    2017-01-01

    Natural killer/T-cell lymphomas are extremely rare and carry high mortality rates. Epidemiologically, these cancers tend to affect mainly Asian and South American patients and are associated with Epstein-Barr virus seropositivity. This report details a 78-year-old Vietnamese woman who presented initially with vitritis of unknown cause, but later developed proptosis and conjunctival involvement as her disease spread. Biopsies of the orbit, ethmoid sinus, and conjunctiva were found to be significant for natural killer/T-cell lymphoma. The case highlights the diagnostic difficulty of this tumor given its rarity and ability to mimic other disorders. PMID:28966461

  4. Correlation of nonorthogonality of best hybrid bond orbitals with bond strength of orthogonal orbitals

    PubMed Central

    Pauling, Linus

    1976-01-01

    An expression is derived for the bond length of two spd orbitals with maximum values in two directions forming a given bond angle by consideration of the nonorthogonality integral of two best orbitals in these directions. This equation is equivalent to the expression derived by formulating the pair of orthogonal orbitals. Similar expressions are derived for spdf orbitals. Applications are made to icosahedral and cuboctahedral bonds and to the packing of nucleons in atomic nuclei. PMID:16578736

  5. DFT Study of the Structure, Reactivity, Natural Bond Orbital and Hyperpolarizability of Thiazole Azo Dyes

    PubMed Central

    Osman, Osman I.

    2017-01-01

    The structure, reactivity, natural bond orbital (NBO), linear and nonlinear optical (NLO) properties of three thiazole azo dyes (A, B and C) were monitored by applying B3LYP, CAM-B3LYP and ωB97XD functionals with 6-311++G** and aug-cc-pvdz basis sets. The geometrical parameters, dipole moments, HOMO-LUMO (highest occupied molecular orbital, lowest unoccupied molecular orbital) energy gaps, absorption wavelengths and total hyperpolarizabilities were investigated in carbon tetrachloride (CCl4) chloroform (CHCl3), dichloromethane (CH2Cl2) and dimethlysulphoxide (DMSO). The donor methoxyphenyl group deviates from planarity with the thiazole azo moiety by ca. 38°; while the acceptor dicyanovinyl, indandione and dicyanovinylindanone groups diverge by ca. 6°. The HOMOs for the three dyes are identical. They spread over the methoxyphenyl donor moiety, the thiazole and benzene rings as π-bonding orbitals. The LUMOs are shaped up by the nature of the acceptor moieties. The LUMOs of the A, B and C dyes extend over the indandione, malononitrile and dicyanovinylindanone acceptor moieties, respectively, as π-antibonding orbitals. The HOMO-LUMO splittings showed that Dye C is much more reactive than dyes A and B. Compared to dyes A and B, Dye C yielded a longer maximum absorption wavelength because of the stabilization of its LUMOs relative to those of the other two. The three dyes show solvatochromism accompanied by significant increases in hyperpolarizability. The enhancement of the total hyperpolarizability of C compared to those of A and B is due to the cumulative action of the long π-conjugation of the indanone ring and the stronger electron-withdrawing ability of the dicyanovinyl moiety that form the dicyanovinylindanone acceptor group. These findings are facilitated by a natural bond orbital (NBO) technique. The very high total hyperpolarizabilities of the three dyes define their potent nonlinear optical (NLO) behaviour. PMID:28157151

  6. Orbitally dependent kinetic exchange in a heterobimetallic pair: Ferromagnetic spin alignment and magnetic anisotropy in the cyano-bridged Cr(III)Fe(II) dimer

    NASA Astrophysics Data System (ADS)

    Palii, A. V.; Tsukerblat, B. S.; Verdaguer, M.

    2002-11-01

    The problem of the kinetic exchange interaction in the cyanide-bridged heterobinuclear dimers involving orbitally degenerate transition metal ions is considered. The developed approach is based on the concept of the effective Hamiltonian of the orbitally dependent kinetic exchange. We deduce this many-electron Hamiltonian on the microscopic background so that all relevant biorbital transfer processes are taken into account as well as the properties of the many-electron states. The bioctahedral cyanide-bridged Cr(III)Fe(II) dimer is considered in detail as an example distinctly exhibiting new quantitative and qualitative features of the orbitally dependent exchange and as a structural unit of three-dimensional ferromagnetic crystals {Fe(II)3)Cr(III)(CN62}[middle dot]13H2O. The proposed mechanism of the kinetic exchange involves the electron transfer from the double occupied t2 orbitals of Fe(II) [ground state 5T2(t2)4e2] to the half occupied t2 orbitals of Cr(III) [ground state 4A2(t2)3] resulting in the charge transfer state 3T1(t2)4Cr(II)- 6A1(t2)3e2 Fe(III) and the transfer between the half-occupied t2 orbitals of the metal ions resulting in the charge transfer state 3T1(t2)4Cr(II)- 4T2(t2)3e2 Fe(III). The effective Hamiltonian of the orbitally dependent exchange for the Cr(III)Fe(II) pair deduced within this theoretical framework describes competitive ferro- and antiferromagnetic contributions arising from these two charge transfer states. This Hamiltonian leads to a complex energy pattern, consisting of two interpenetrating Heisenberg-like schemes, one exhibiting ferromagnetic and another one antiferromagnetic splitting. The condition for the ferromagnetic spin alignment in the ground state is deduced. The orbitally dependent terms of the Hamiltonian are shown to give rise to a strong magnetic anisotropy of the system, this result as well as the condition for the spin alignment in the ground term are shown to be out of the scope of the Goodenough-Kanamori rules

  7. Robust d -wave pairing symmetry in multiorbital cobalt high-temperature superconductors

    NASA Astrophysics Data System (ADS)

    Li, Yinxiang; Han, Xinloong; Qin, Shengshan; Le, Congcong; Wang, Qiang-Hua; Hu, Jiangping

    2017-07-01

    The pairing symmetry of the cobalt high-temperature (high-Tc) superconductors formed by vertex-shared cation-anion tetrahedral complexes is studied by the methods of mean-field, random phase approximation (RPA), and functional renormalization-group (FRG) analyses. The results of all of these methods show that the dx2-y2 pairing symmetry is robustly favored near half filling. The RPA and FRG methods, which are valid in weak-interaction regions, predict that the superconducting state is also strongly orbital selective, namely, the dx2-y2 orbital that has the largest density near half filling among the three t2 g orbitals dominates superconducting pairing. These results suggest that these materials, if synthesized, can provide an indisputable test of the high-Tc pairing mechanism and the validity of different theoretical methods.

  8. An aggressive primary orbital natural killer/T-cell lymphoma case: poor response to chemotherapy.

    PubMed

    Marchino, Tizana; Ibáñez, Núria; Prieto, Sebastián; Novelli, Silvana; Szafranska, Justyna; Mozos, Anna; Graell, Xavier; Buil, José A

    2014-01-01

    Natural killer/T-cell lymphoma (NKTCL) and its presentation with extranodal orbital involvement as a single lesion are extremely rare. The aim of this article was to describe the presentation, diagnosis, and systemic treatment of a primary orbital NKTCL. A 67-year-old Caucasian woman presented with left exophthalmos, pain, periorbital swelling, and limited extrinsic ocular motility. Orbital cellulitis was suspected, but finally orbital biopsy was performed due to no response to initial antibiotic and anti-inflammatory standard treatment. The pathologic diagnosis was NKTCL. Systemic evaluations were negative. CHOP (cyclophosphamide, doxorubicin, vincristine, prednisone) chemotherapy was initiated, but after 2 cycles of treatment, tumoral progression was observed. SMILE (dexamethasone, methotrexate, ifosfamide, L-asparaginase, etoposide) rescue chemotherapy was then administered. Lymphoma progression was inevitable. She died 10 months later. Although more nasal NKTCL cases have been described, the nonnasal primary orbital NKTCL is an uncommon neoplasm with high mortality rate, despite the recent use of more potent chemotherapy regimens.

  9. Spin–orbit coupling, minimal model and potential Cooper-pairing from repulsion in BiS2-superconductors

    NASA Astrophysics Data System (ADS)

    Cobo-Lopez, Sergio; Saeed Bahramy, Mohammad; Arita, Ryotaro; Akbari, Alireza; Eremin, Ilya

    2018-04-01

    We develop the realistic minimal electronic model for recently discovered BiS2 superconductors including the spin–orbit (SO) coupling based on the first-principles band structure calculations. Due to strong SO coupling, characteristic for the Bi-based systems, the tight-binding low-energy model necessarily includes p x , p y , and p z orbitals. We analyze a potential Cooper-pairing instability from purely repulsive interaction for the moderate electronic correlations using the so-called leading angular harmonics approximation. For small and intermediate doping concentrations we find the dominant instabilities to be {d}{x2-{y}2}-wave, and s ±-wave symmetries, respectively. At the same time, in the absence of the sizable spin fluctuations the intra and interband Coulomb repulsions are of the same strength, which yield the strongly anisotropic behavior of the superconducting gaps on the Fermi surface. This agrees with recent angle resolved photoemission spectroscopy findings. In addition, we find that the Fermi surface topology for BiS2 layered systems at large electron doping can resemble the doped iron-based pnictide superconductors with electron and hole Fermi surfaces maintaining sufficient nesting between them. This could provide further boost to increase T c in these systems.

  10. Orbits of 15 visual binaries

    NASA Astrophysics Data System (ADS)

    Heintz, W. D.

    1981-04-01

    Micrometer observations in 1979-1980 permitted the computation of substantially revised or new orbital elements for 15 visual pairs. They include the bright stars 52 Ari and 78 UMa (in the UMa cluster), four faint dK pairs, and the probable triple ADS 16185. Ephemerides for equator of data are listed in a table along with the orbital elements of the binaries. The measured positions and their residuals are listed in a second table. The considered binaries include ADS 896, 2336, 6315, 7054, 7629, 8092, 8555, 8739, 13987, 16185, Rst 1658, 3906, 3972, 4529, and Jsp 691.

  11. Many-body calculations with deuteron based single-particle bases and their associated natural orbits

    NASA Astrophysics Data System (ADS)

    Puddu, G.

    2018-06-01

    We use the recently introduced single-particle states obtained from localized deuteron wave-functions as a basis for nuclear many-body calculations. We show that energies can be substantially lowered if the natural orbits (NOs) obtained from this basis are used. We use this modified basis for {}10{{B}}, {}16{{O}} and {}24{{Mg}} employing the bare NNLOopt nucleon–nucleon interaction. The lowering of the energies increases with the mass. Although in principle NOs require a full scale preliminary many-body calculation, we found that an approximate preliminary many-body calculation, with a marginal increase in the computational cost, is sufficient. The use of natural orbits based on an harmonic oscillator basis leads to a much smaller lowering of the energies for a comparable computational cost.

  12. Local nature of impurity induced spin-orbit torques

    NASA Astrophysics Data System (ADS)

    Nikolaev, Sergey; Kalitsov, Alan; Chshiev, Mairbec; Mryasov, Oleg

    Spin-orbit torques are of a great interest due to their potential applications for spin electronics. Generally, it originates from strong spin orbit coupling of heavy 4d/5d elements and its mechanism is usually attributed either to the Spin Hall effect or Rashba spin-orbit coupling. We have developed a quantum-mechanical approach based on the non-equilibrium Green's function formalism and tight binding Hamiltonian model to study spin-orbit torques and extended our theory for the case of extrinsic spin-orbit coupling induced by impurities. For the sake of simplicity, we consider a magnetic material on a two dimensional lattice with a single non-magnetic impurity. However, our model can be easily extended for three dimensional layered heterostructures. Based on our calculations, we present the detailed analysis of the origin of local spin-orbit torques and persistent charge currents around the impurity, that give rise to spin-orbit torques even in equilibrium and explain the existence of anisotropy.

  13. Rapidly fatal nasal natural killer/T-cell lymphoma: orbital and ocular adnexal presentations.

    PubMed

    Yousuf, Salman J; Kumar, Nitin; Kidwell, Earl D; Copeland, Robert A

    2011-03-01

    Nasal natural killer/T-cell lymphoma (NKTL) is an aggressive malignancy that may initially present with orbital and/or ocular adnexal symptoms. We describe the case of a 27-year-old female with nasal NKTL, who initially presented with epiphora and died 4 months thereafter.

  14. Original and future cometary orbits. IV

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Marsden, B.G.

    1990-06-01

    The values of the original and future reciprocal semimajor axes are calulcated for 36 recent osculating cometary orbits. The results are compared with the computations of Yabushita and Hasegawa (1989). Adjustments for deriving original and future orbits are given for nine other recent comets for which only parabolic orbit determinations are available. Specific attention is given to the physical comet pair 1987 XXX/1988 III. 15 refs.

  15. Watson-Crick base pairing controls excited-state decay in natural DNA.

    PubMed

    Bucher, Dominik B; Schlueter, Alexander; Carell, Thomas; Zinth, Wolfgang

    2014-10-13

    Excited-state dynamics are essential to understanding the formation of DNA lesions induced by UV light. By using femtosecond IR spectroscopy, it was possible to determine the lifetimes of the excited states of all four bases in the double-stranded environment of natural DNA. After UV excitation of the DNA duplex, we detected a concerted decay of base pairs connected by Watson-Crick hydrogen bonds. A comparison of single- and double-stranded DNA showed that the reactive charge-transfer states formed in the single strands are suppressed by base pairing in the duplex. The strong influence of the Watson-Crick hydrogen bonds indicates that proton transfer opens an efficient decay path in the duplex that prohibits the formation or reduces the lifetime of reactive charge-transfer states. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Pairs of Asteroids Probably of a Common Origin

    NASA Astrophysics Data System (ADS)

    Vokrouhlický, David; Nesvorný, David

    2008-07-01

    We report the first observational evidence for pairs of main-belt asteroids with bodies in each pair having nearly identical orbits. The existence of ~60 pairs identified here cannot be reconciled with random fluctuations of the asteroid orbit density and rather suggests a common origin of the paired objects. We propose that the identified pairs formed by (i) collisional disruptions of km-sized and larger parent asteroids, (ii) Yarkovsky-O'Keefe-Radzievski-Paddack (YORP)-induced spin-up and rotational fission of fast-rotating objects, and/or (iii) splitting of unstable asteroid binaries. In case (i), the pairs would be parts of compact collisional families with many km- and sub-km-size members that should be found by future asteroid surveys. Our dynamical analysis suggests that most identified pairs formed within the past lsim1 Myr, in several cases even much more recently. For example, paired asteroids (6070) Rheinland and (54827) 2001 NQ8 probably separated from their common ancestor only 16.5-19 kyr ago. Given their putatively very recent formation, the identified objects are prime candidates for astronomical observations. The title paraphrases that of Hirayama's 1918 paper "Groups of asteroids probably of a common origin," where the first evidence was given for groups of asteroid fragments produced by disruptive collisions.

  17. Geminal-spanning orbitals make explicitly correlated reduced-scaling coupled-cluster methods robust, yet simple

    NASA Astrophysics Data System (ADS)

    Pavošević, Fabijan; Neese, Frank; Valeev, Edward F.

    2014-08-01

    We present a production implementation of reduced-scaling explicitly correlated (F12) coupled-cluster singles and doubles (CCSD) method based on pair-natural orbitals (PNOs). A key feature is the reformulation of the explicitly correlated terms using geminal-spanning orbitals that greatly reduce the truncation errors of the F12 contribution. For the standard S66 benchmark of weak intermolecular interactions, the cc-pVDZ-F12 PNO CCSD F12 interaction energies reproduce the complete basis set CCSD limit with mean absolute error <0.1 kcal/mol, and at a greatly reduced cost compared to the conventional CCSD F12.

  18. On Orbital Elements of Extrasolar Planetary Candidates and Spectroscopic Binaries

    NASA Technical Reports Server (NTRS)

    Stepinski, T. F.; Black, D. C.

    2001-01-01

    We estimate probability densities of orbital elements, periods, and eccentricities, for the population of extrasolar planetary candidates (EPC) and, separately, for the population of spectroscopic binaries (SB) with solar-type primaries. We construct empirical cumulative distribution functions (CDFs) in order to infer probability distribution functions (PDFs) for orbital periods and eccentricities. We also derive a joint probability density for period-eccentricity pairs in each population. Comparison of respective distributions reveals that in all cases EPC and SB populations are, in the context of orbital elements, indistinguishable from each other to a high degree of statistical significance. Probability densities of orbital periods in both populations have P(exp -1) functional form, whereas the PDFs of eccentricities can he best characterized as a Gaussian with a mean of about 0.35 and standard deviation of about 0.2 turning into a flat distribution at small values of eccentricity. These remarkable similarities between EPC and SB must be taken into account by theories aimed at explaining the origin of extrasolar planetary candidates, and constitute an important clue us to their ultimate nature.

  19. Introducing a new bond reactivity index: Philicities for natural bond orbitals.

    PubMed

    Sánchez-Márquez, Jesús; Zorrilla, David; García, Víctor; Fernández, Manuel

    2017-12-22

    In the present work, a new methodology defined for obtaining reactivity indices (philicities) is proposed. This is based on reactivity functions such as the Fukui function or the dual descriptor, and makes it possible to project the information from reactivity functions onto molecular orbitals, instead of onto the atoms of the molecule (atomic reactivity indices). The methodology focuses on the molecules' natural bond orbitals (bond reactivity indices) because these orbitals have the advantage of being localized, allowing the reaction site of an electrophile or nucleophile to be determined within a very precise molecular region. This methodology provides a "philicity" index for every NBO, and a representative set of molecules has been used to test the new definition. A new methodology has also been developed to compare the "finite difference" and the "frontier molecular orbital" approximations. To facilitate their use, the proposed methodology as well as the possibility of calculating the new indices have been implemented in a new version of UCA-FUKUI software. In addition, condensation schemes based on atomic populations of the "atoms in molecules" theory, the Hirshfeld population analysis, the approximation of Mulliken (with a minimal basis set) and electrostatic potential-derived charges have also been implemented, including the calculation of "bond reactivity indices" defined in previous studies. Graphical abstract A new methodology defined for obtaining bond reactivity indices (philicities) is proposed and makes it possible to project the information from reactivity functions onto molecular orbitals. The proposed methodology as well as the possibility of calculating the new indices have been implemented in a new version of UCA-FUKUI software. In addition, this version can use new atomic condensation schemes and new "utilities" have also been included in this second version.

  20. Disorder-induced topological phase transitions in two-dimensional spin-orbit coupled superconductors

    NASA Astrophysics Data System (ADS)

    Qin, Wei; Xiao, Di; Chang, Kai; Shen, Shun-Qing; Zhang, Zhenyu

    2016-12-01

    Normal superconductors with Rashba spin-orbit coupling have been explored as candidate systems of topological superconductors. Here we present a comparative theoretical study of the effects of different types of disorder on the topological phases of two-dimensional Rashba spin-orbit coupled superconductors. First, we show that a topologically trivial superconductor can be driven into a chiral topological superconductor upon diluted doping of isolated magnetic disorder, which close and reopen the quasiparticle gap of the paired electrons in a nontrivial manner. Secondly, the superconducting nature of a topological superconductor is found to be robust against Anderson disorder, but the topological nature is not, converting the system into a topologically trivial state even in the weak scattering limit. These topological phase transitions are distinctly characterized by variations in the topological invariant. We discuss the central findings in connection with existing experiments, and provide new schemes towards eventual realization of topological superconductors.

  1. Polar orbits around binary stars

    NASA Astrophysics Data System (ADS)

    Egan, Greg

    2018-01-01

    Oks proposes the existence of a new class of stable planetary orbits around binary stars, in the shape of a helix on a conical surface whose axis of symmetry coincides with the interstellar axis, and rotates with the same orbital frequency as the binary pair. We show that this claim relies on the inappropriate use of an effective potential that is only applicable when the stars are held motionless. We also present numerical evidence that the only planetary orbits whose planes are initially orthogonal to the interstellar axis that remain stable on the time scale of the stellar orbit are ordinary polar orbits around one of the stars, and that the perturbations due to the binary companion do not rotate the plane of the orbit to maintain a fixed relationship with the axis.

  2. Binaries and triples among asteroid pairs

    NASA Astrophysics Data System (ADS)

    Pravec, Petr; Scheirich, Peter; Kušnirák, Peter; Hornoch, Kamil; Galád, Adrián

    2015-08-01

    Despite major achievements obtained during the past two decades, our knowledge of the population and properties of small binary and multiple asteroid systems is still far from advanced. There is a numerous indirect evidence for that most small asteroid systems were formed by rotational fission of cohesionless parent asteroids that were spun up to the critical frequency presumably by YORP, but details of the process are lacking. Furthermore, as we proceed with observations of more and more binary and paired asteroids, we reveal new facts that substantially refine and sometimes change our understanding of the asteroid systems. One significant new finding we have recently obtained is that primaries of many asteroid pairs are actually binary or triple systems. The first such case found is (3749) Balam (Vokrouhlický, ApJL 706, L37, 2009). We have found 9 more binary systems among asteroid pairs within our ongoing NEOSource photometric project since October 2012. They are (6369) 1983 UC, (8306) Shoko, (9783) Tensho-kan, (10123) Fideoja, (21436) Chaoyichi, (43008) 1999 UD31, (44620) 1999 RS43, (46829) 1998 OS14 and (80218) 1999 VO123. We will review their characteristics. These paired binaries as we call them are mostly similar to binaries in the general ("background") population (of unpaired asteroids), but there are a few trends. The paired binaries tend to have larger secondaries with D_2/D_1 = 0.3 to 0.5 and they also tend to be wider systems with 8 of the 10 having orbital periods between 30 and 81 hours, than average among binaries in the general population. There may be also a larger fraction of triples; (3749) Balam is a confirmed triple, having a larger close and a smaller distant satellite, and (8306) Shoko and (10123) Fideoja are suspect triples as they show additional rotational lightcurve components with periods of 61 and 38.8 h that differ from the orbital period of 36.2 and 56.5 h, respectively. The unbound secondaries tend to be of the same size or

  3. Solid Propulsion De-Orbiting and Re-Orbiting

    NASA Astrophysics Data System (ADS)

    Schonenborg, R. A. C.; Schoyer, H. F. R.

    2009-03-01

    With many "innovative" de-orbit systems (e.g. tethers, aero breaking, etc.) and with natural de-orbit, the place of impact of unburned spacecraft debris on Earth can not be determined accurately. The idea that satellites burn up completely upon re-entry is a common misunderstanding. To the best of our knowledge only rocket motors are capable of delivering an impulse that is high enough, to conduct a de-orbit procedure swiftly, hence to de-orbit at a specific moment that allows to predict the impact point of unburned spacecraft debris accurately in remote areas. In addition, swift de-orbiting will reduce the on-orbit time of the 'dead' satellite, which reduces the chance of the dead satellite being hit by other dead or active satellites, while spiralling down to Earth during a slow, 25 year, or more, natural de-orbit process. Furthermore the reduced on-orbit time reduces the chance that spacecraft batteries, propellant tanks or other components blow up and also reduces the time that the object requires tracking from Earth.The use of solid propellant for the de-orbiting of spacecraft is feasible. The main advantages of a solid propellant based system are the relatively high thrust and the facts that the system can be made autonomous quite easily and that the system can be very reliable. The latter is especially desirable when one wants to de-orbit old or 'dead' satellites that might not be able to rely anymore on their primary systems. The disadvantage however, is the addition of an extra system to the spacecraft as well as a (small) mass penalty. [1]This paper describes the above mentioned system and shows as well, why such a system can also be used to re-orbit spacecraft in GEO, at the end of their life to a graveyard orbit.Additionally the system is theoretically compared to an existing system, of which performance data is available.A swift market analysis is performed as well.

  4. General contraction of Gaussian basis sets. II - Atomic natural orbitals and the calculation of atomic and molecular properties

    NASA Technical Reports Server (NTRS)

    Almlof, Jan; Taylor, Peter R.

    1990-01-01

    A recently proposed scheme for using natural orbitals from atomic configuration interaction wave functions as a basis set for linear combination of atomic orbitals (LCAO) calculations is extended for the calculation of molecular properties. For one-electron properties like multipole moments, which are determined largely by the outermost regions of the molecular wave function, it is necessary to increase the flexibility of the basis in these regions. This is most easily done by uncontracting the outermost Gaussian primitives, and/or by adding diffuse primitives. A similar approach can be employed for the calculation of polarizabilities. Properties which are not dominated by the long-range part of the wave function, such as spectroscopic constants or electric field gradients at the nucleus, can generally be treated satisfactorily with the original atomic natural orbital sets.

  5. Diverse Orbits Around Mars Graphic

    NASA Image and Video Library

    2015-05-04

    This graphic depicts the relative shapes and distances from Mars for five active orbiter missions plus the planet's two natural satellites. It illustrates the potential for intersections of the spacecraft orbits. The number of active orbiter missions at Mars increased from three to five in 2014. With the increased traffic, NASA has augmented a process for anticipating orbit intersections and avoiding collisions. NASA's Mars Odyssey and MRO (Mars Reconnaissance Orbiter) travel near-circular orbits. The European Space Agency's Mars Express, NASA's MAVEN (Mars Atmosphere and Volatile Evolution) and India's MOM (Mars Orbiter Mission), travel more elliptical orbits. Phobos and Deimos are the two natural moons of Mars. http://photojournal.jpl.nasa.gov/catalog/PIA19396

  6. Disorder-induced topological phase transitions in two-dimensional spin-orbit coupled superconductors

    PubMed Central

    Qin, Wei; Xiao, Di; Chang, Kai; Shen, Shun-Qing; Zhang, Zhenyu

    2016-01-01

    Normal superconductors with Rashba spin-orbit coupling have been explored as candidate systems of topological superconductors. Here we present a comparative theoretical study of the effects of different types of disorder on the topological phases of two-dimensional Rashba spin-orbit coupled superconductors. First, we show that a topologically trivial superconductor can be driven into a chiral topological superconductor upon diluted doping of isolated magnetic disorder, which close and reopen the quasiparticle gap of the paired electrons in a nontrivial manner. Secondly, the superconducting nature of a topological superconductor is found to be robust against Anderson disorder, but the topological nature is not, converting the system into a topologically trivial state even in the weak scattering limit. These topological phase transitions are distinctly characterized by variations in the topological invariant. We discuss the central findings in connection with existing experiments, and provide new schemes towards eventual realization of topological superconductors. PMID:27991541

  7. Searching for some natural orbits to observe the double asteroid 2002CE26

    NASA Astrophysics Data System (ADS)

    Mescolotti, Bruna Yukiko Pinheiro Masago; Prado, Antonio Fernando Bertachini de Almeida; Chiaradia, Ana Paula Marins; Gomes, Vivian Martins

    2017-07-01

    Knowledge of the Solar System is increasing with data coming from space missions to small bodies. A mission to those bodies offers some problems, because they have several characteristics that are not well known, like their shapes, sizes and masses. The present research has the goal of searching for trajectories around the double asteroid 2002CE26, a system of Near-Earth Asteroids (NEAs) of the Apollo type. For every trajectory of the spacecraft, the evolution of the distances between the spacecraft and the two bodies that compose the system is crucial, due to its impact in the quality of the observations made from the spacecraft. Furthermore, this study has a first objective of searching for trajectories that make the spacecraft remain as long as possible near the two bodies that compose the asteroid system, without the use of orbital maneuvers. The model used here assumes elliptical orbits for the asteroids. The effect of the solar radiation pressure is also included, since it is a major perturbing force acting in spacecrafts traveling around small bodies. The natural orbits found here are useful for the mission. They can be used individually or combined in several pieces by orbital maneuvers. Another point considered here is the importance of the errors in the estimation of the physical parameters of the bodies. This task is very important, because there are great uncertainties in these values because the measurements are based on observations made from the Earth. It is shown that a variation of those parameters can make very large modifications in the times that the spacecraft remains close to the bodies of the system (called here "observational times"). Those modifications are large enough to make the best trajectories obtained under nominal conditions to be useless under some errors in the physical parameters. So, a search is made to find trajectories that have reasonable observation times for all the assumed error scenarios for the two bodies, because those

  8. Reduced-cost linear-response CC2 method based on natural orbitals and natural auxiliary functions

    PubMed Central

    Mester, Dávid

    2017-01-01

    A reduced-cost density fitting (DF) linear-response second-order coupled-cluster (CC2) method has been developed for the evaluation of excitation energies. The method is based on the simultaneous truncation of the molecular orbital (MO) basis and the auxiliary basis set used for the DF approximation. For the reduction of the size of the MO basis, state-specific natural orbitals (NOs) are constructed for each excited state using the average of the second-order Møller–Plesset (MP2) and the corresponding configuration interaction singles with perturbative doubles [CIS(D)] density matrices. After removing the NOs of low occupation number, natural auxiliary functions (NAFs) are constructed [M. Kállay, J. Chem. Phys. 141, 244113 (2014)], and the NAF basis is also truncated. Our results show that, for a triple-zeta basis set, about 60% of the virtual MOs can be dropped, while the size of the fitting basis can be reduced by a factor of five. This results in a dramatic reduction of the computational costs of the solution of the CC2 equations, which are in our approach about as expensive as the evaluation of the MP2 and CIS(D) density matrices. All in all, an average speedup of more than an order of magnitude can be achieved at the expense of a mean absolute error of 0.02 eV in the calculated excitation energies compared to the canonical CC2 results. Our benchmark calculations demonstrate that the new approach enables the efficient computation of CC2 excitation energies for excited states of all types of medium-sized molecules composed of up to 100 atoms with triple-zeta quality basis sets. PMID:28527453

  9. Relative Stabilities and Reactivities of Isolated Versus Conjugated Alkenes: Reconciliation Via a Molecular Orbital Approach

    NASA Astrophysics Data System (ADS)

    Sotiriou-Leventis, Chariklia; Hanna, Samir B.; Leventis, Nicholas

    1996-04-01

    The well-accepted practice of generating a pair of molecular orbitals, one of lower energy and another of higher energy than the original pair of overlapping atomic orbitals, and the concept of a particle in a one-dimensional box are implemented in a simplified, nonmathematical method that explains the relative stabilities and reactivities of alkenes with conjugated versus isolated double bonds. In this method, Huckel-type MO's of higher polyenes are constructed by energy rules of linear combination of atomic orbitals. One additional rule is obeyed: bonding molecular orbitals overlap only with bonding molecular orbitals, and antibonding molecular orbitals overlap only with antibonding molecular orbitals.

  10. Separated-pair independent particle model and the generalized Brillouin theorem: ab initio calculations on the dissociation of polyatomic molecules

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sundberg, Kenneth Randall

    1976-01-01

    A method is developed to optimize the separated-pair independent particle (SPIP) wave function; it is a special case of the separated-pair theory obtained by using two-term natural expansions of the geminals. The orbitals are optimized by a theory based on the generalized Brillouin theorem and iterative configuration interaction (CI) calculations in the space of the SPIP function and its single excitations. The geminal expansion coefficients are optimized by serial 2 x 2 CI calculations. Formulas are derived for the matrix elements. An algorithm to implement the method is presented, and the work needed to evaluate the molecular integrals is discussed.

  11. Vibrational spectra and natural bond orbital analysis of organic crystal L-prolinium picrate

    NASA Astrophysics Data System (ADS)

    Edwin, Bismi; Amalanathan, M.; Hubert Joe, I.

    2012-10-01

    Vibrational spectral analysis and quantum chemical computations based on density functional theory (DFT) have been performed on the organic crystal L-prolinium picrate (LPP). The equilibrium geometry, various bonding features and harmonic vibrational wavenumbers of LPP have been investigated using B3LYP method. The calculated molecular geometry has been compared with the experimental data. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA 4 program. The various intramolecular interactions confirming the biological activity of the compound have been exposed by natural bond orbital analysis. The distribution of Mulliken atomic charges and bending of natural hybrid orbitals associated with hydrogen bonding also reflects the presence of intramolecular hydrogen bonding thereby enhancing bioactivity. The analysis of the electron density of HOMO and LUMO gives an idea of the delocalization and low value of energy gap indicates electron transport in the molecule and thereby bioactivity. Vibrational analysis reveals the presence of strong O-H⋯O and N-H⋯O interaction between L-prolinium and picrate ions providing evidence for the charge transfer interaction between the donor and acceptor groups and is responsible for its bioactivity.

  12. General contraction of Gaussian basis sets. Part 2: Atomic natural orbitals and the calculation of atomic and molecular properties

    NASA Technical Reports Server (NTRS)

    Almloef, Jan; Taylor, Peter R.

    1989-01-01

    A recently proposed scheme for using natural orbitals from atomic configuration interaction (CI) wave functions as a basis set for linear combination of atomic orbitals (LCAO) calculations is extended for the calculation of molecular properties. For one-electron properties like multipole moments, which are determined largely by the outermost regions of the molecular wave function, it is necessary to increase the flexibility of the basis in these regions. This is most easily done by uncontracting the outmost Gaussian primitives, and/or by adding diffuse primitives. A similar approach can be employed for the calculation of polarizabilities. Properties which are not dominated by the long-range part of the wave function, such as spectroscopic constants or electric field gradients at the nucleus, can generally be treated satisfactorily with the original atomic natural orbital (ANO) sets.

  13. An efficient linear-scaling CCSD(T) method based on local natural orbitals.

    PubMed

    Rolik, Zoltán; Szegedy, Lóránt; Ladjánszki, István; Ladóczki, Bence; Kállay, Mihály

    2013-09-07

    An improved version of our general-order local coupled-cluster (CC) approach [Z. Rolik and M. Kállay, J. Chem. Phys. 135, 104111 (2011)] and its efficient implementation at the CC singles and doubles with perturbative triples [CCSD(T)] level is presented. The method combines the cluster-in-molecule approach of Li and co-workers [J. Chem. Phys. 131, 114109 (2009)] with frozen natural orbital (NO) techniques. To break down the unfavorable fifth-power scaling of our original approach a two-level domain construction algorithm has been developed. First, an extended domain of localized molecular orbitals (LMOs) is assembled based on the spatial distance of the orbitals. The necessary integrals are evaluated and transformed in these domains invoking the density fitting approximation. In the second step, for each occupied LMO of the extended domain a local subspace of occupied and virtual orbitals is constructed including approximate second-order Mo̸ller-Plesset NOs. The CC equations are solved and the perturbative corrections are calculated in the local subspace for each occupied LMO using a highly-efficient CCSD(T) code, which was optimized for the typical sizes of the local subspaces. The total correlation energy is evaluated as the sum of the individual contributions. The computation time of our approach scales linearly with the system size, while its memory and disk space requirements are independent thereof. Test calculations demonstrate that currently our method is one of the most efficient local CCSD(T) approaches and can be routinely applied to molecules of up to 100 atoms with reasonable basis sets.

  14. Orbit determination singularities in the Doppler tracking of a planetary orbiter

    NASA Technical Reports Server (NTRS)

    Wood, L. J.

    1985-01-01

    On a number of occasions, spacecraft launched by the U.S. have been placed into orbit about the moon, Venus, or Mars. It is pointed out that, in particular, in planetary orbiter missions two-way coherent Doppler data have provided the principal data type for orbit determination applications. The present investigation is concerned with the problem of orbit determination on the basis of Doppler tracking data in the case of a spacecraft in orbit about a natural body other than the earth or the sun. Attention is given to Doppler shift associated with a planetary orbiter, orbit determination using a zeroth-order model for the Doppler shift, and orbit determination using a first-order model for the Doppler shift.

  15. Sentinel-1 Precise Orbit Calibration and Validation

    NASA Astrophysics Data System (ADS)

    Monti Guarnieri, Andrea; Mancon, Simone; Tebaldini, Stefano

    2015-05-01

    In this paper, we propose a model-based procedure to calibrate and validate Sentinel-1 orbit products by the Multi-Squint (MS) phase. The technique allows to calibrate an interferometric pair geometry by refining the slave orbit with reference to the orbit of a master image. Accordingly, we state the geometric model of the InSAR phase as function of positioning errors of targets and slave track; and the MS phase model as derivative of the InSAR phase geometric model with respect to the squint angle. In this paper we focus on the TOPSAR acquisition modes of Sentinel-1 (IW and EW) assuming at the most a linear error in the known slave trajectory. In particular, we describe a dedicated methodology to prevent InSAR phase artifacts on data acquired by the TOPSAR acquisition mode. Experimental results obtained by interferometric pairs acquired by Sentinel-1 sensor will be displayed.

  16. The gyrotron - a natural source of high-power orbital angular momentum millimeter-wave beams

    NASA Astrophysics Data System (ADS)

    Thumm, M.; Sawant, A.; Choe, M. S.; Choi, E. M.

    2017-08-01

    Orbital angular momentum (OAM) of electromagnetic-wave beams provides further diversity to multiplexing in wireless communication. The present report shows that higher-order mode gyrotrons are natural sources of high-power OAM millimeter (mm) wave beams. The well-defined OAM of their rotating cavity modes operating at near cutoff frequency has been derived by photonic and electromagnetic wave approaches.

  17. Molecular orbital evaluation of charge flow dynamics in natural pigments based photosensitizers.

    PubMed

    Heera, Thekinneydath Rajan; Cindrella, Louis

    2010-03-01

    The relationship between structure and photo electrochemical property of ten natural pigments from plants, insects and microbes has been analyzed using density functional theory (DFT) at the B3LYP/6-31G(d) level. The essential parameters for their photoelectrochemical behaviour such as ground state geometries, electronic transition energies and oxidation potentials are computed. The attachment tendency of the anchoring groups, expressed as the deprotonation order, is determined by calculating the proton affinities at different sites of the molecules. A thorough analysis of the charge flow dynamics in the molecular orbitals (HOMO and LUMO) of these molecules has been carried out and presented to emphasize the role of these orbitals in effective charge separation, the important feature of photosensitizers for DSSC. This study highlights that the flexible spatial orientation provided by the bridging aliphatic unsaturation favours the oscillator strength and the hydroxyl anchor group attached to the ring of delocalized pi electron cloud acts as the effective anchor.

  18. Theoretical study on the binding mechanism between N6-methyladenine and natural DNA bases.

    PubMed

    Song, Qi-Xia; Ding, Zhen-Dong; Liu, Jian-Hua; Li, Yan; Wang, Hai-Jun

    2013-03-01

    N6-methyladenine (m(6)A) is a rare base naturally occurring in DNA. It is different from the base adenine due to its N-CH(3). Therefore, the base not only pairs with thymine, but also with other DNA bases (cytosine, adenine and guanine). In this work, Møller-Plesset second-order (MP2) method has been used to investigate the binding mechanism between m(6)A and natural DNA bases in gas phase and in aqueous solution. The results show that N-CH(3) changed the way of N6-methyladenine binding to natural DNA bases. The binding style significantly influences the stability of base pairs. The trans-m(6)A:G and trans-m(6)A:C conformers are the most stable among all the base pairs. The existence of solvent can remarkably reduce the stability of the base pairs, and the DNA bases prefer pairing with trans-m(6)A to cis-m(6)A. Besides, the properties of these hydrogen bonds have been analyzed by atom in molecules (AIM) theory, natural bond orbital (NBO) analysis and Wiberg bond indexes (WBI). In addition, pairing with m(6)A decreases the binding energies compared to the normal Watson-Crick base pairs, it may explain the instability of the N6 site methylated DNA in theory.

  19. Outward Migration of Giant Planets in Orbital Resonance

    NASA Astrophysics Data System (ADS)

    D'Angelo, G.; Marzari, F.

    2013-05-01

    A pair of giant planets interacting with a gaseous disk may be subject to convergent orbital migration and become locked into a mean motion resonance. If the orbits are close enough, the tidal gaps produced by the planets in the disk may overlap. This represents a necessary condition to activate the outward migration of the pair. However, a number of other conditions must also be realized in order for this mechanism to operate. We have studied how disk properties, such as turbulence viscosity, temperature, surface density gradient, mass, and age, may affect the outcome of the outward migration process. We have also investigated the implications on this mechanism of the planets' gas accretion. If the pair resembles Jupiter and Saturn, the 3:2 orbital resonance may drive them outward until they reach stalling radii for migration, which are within ~10 AU of the star for disks representative of the early proto-solar nebula. However, planet post-formation conditions in the disk indicate that such planets become typically locked in the 1:2 orbital resonance, which does not lead to outward migration. Planet growth via gas accretion tends to alter the planets' mass-ratio and/or the disk accretion rate toward the star, reducing or inhibiting outward migration. Support from NASA Outer Planets Research Program and NASA Origins of Solar Systems Program is gratefully acknowledged.

  20. Mesoscopic pairing without superconductivity

    NASA Astrophysics Data System (ADS)

    Hofmann, Johannes

    2017-12-01

    We discuss pairing signatures in mesoscopic nanowires with a variable attractive pairing interaction. Depending on the wire length, density, and interaction strength, these systems realize a simultaneous bulk-to-mesoscopic and BCS-BEC crossover, which we describe in terms of the parity parameter that quantifies the odd-even energy difference and generalizes the bulk Cooper pair binding energy to mesoscopic systems. We show that the parity parameter can be extracted from recent measurements of conductance oscillations in SrTiO3 nanowires by Cheng et al. [Nature (London) 521, 196 (2015), 10.1038/nature14398], where it marks the critical magnetic field that separates pair and single-particle currents. Our results place the experiment in the fluctuation-dominated mesoscopic regime on the BCS side of the crossover.

  1. Controlling the superconducting transition by spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Banerjee, N.; Ouassou, J. A.; Zhu, Y.; Stelmashenko, N. A.; Linder, J.; Blamire, M. G.

    2018-05-01

    Whereas considerable evidence exists for the conversion of singlet Cooper pairs into triplet Cooper pairs in the presence of inhomogeneous magnetic fields, recent theoretical proposals have suggested an alternative way to exert control over triplet generation: intrinsic spin-orbit coupling in a homogeneous ferromagnet coupled to a superconductor. Here, we proximity couple Nb to an asymmetric Pt/Co/Pt trilayer, which acts as an effective spin-orbit-coupled ferromagnet owing to structural inversion asymmetry. Unconventional modulation of the superconducting critical temperature as a function of in-plane and out-of-plane applied magnetic fields suggests the presence of triplets that can be controlled by the magnetic orientation of a single homogeneous ferromagnet. Our studies demonstrate an active role of spin-orbit coupling in controlling the triplets, an important step towards the realization of novel superconducting spintronic devices.

  2. Orbit-attitude coupled motion around small bodies: Sun-synchronous orbits with Sun-tracking attitude motion

    NASA Astrophysics Data System (ADS)

    Kikuchi, Shota; Howell, Kathleen C.; Tsuda, Yuichi; Kawaguchi, Jun'ichiro

    2017-11-01

    The motion of a spacecraft in proximity to a small body is significantly perturbed due to its irregular gravity field and solar radiation pressure. In such a strongly perturbed environment, the coupling effect of the orbital and attitude motions exerts a large influence that cannot be neglected. However, natural orbit-attitude coupled dynamics around small bodies that are stationary in both orbital and attitude motions have yet to be observed. The present study therefore investigates natural coupled motion that involves both a Sun-synchronous orbit and Sun-tracking attitude motion. This orbit-attitude coupled motion enables a spacecraft to maintain its orbital geometry and attitude state with respect to the Sun without requiring active control. Therefore, the proposed method can reduce the use of an orbit and attitude control system. This paper first presents analytical conditions to achieve Sun-synchronous orbits and Sun-tracking attitude motion. These analytical solutions are then numerically propagated based on non-linear coupled orbit-attitude equations of motion. Consequently, the possibility of implementing Sun-synchronous orbits with Sun-tracking attitude motion is demonstrated.

  3. Orbital operations study. Appendix B: Operational procedures

    NASA Technical Reports Server (NTRS)

    Galvin, D. M.; Mattson, H. L.; True, D. M.; Anderson, N. R.; Mehrbach, E.; Gianformaggio, A.; Steinwachs, W. L.; Turkel, S. H.

    1972-01-01

    Operational procedures for each alternate approach for each interfacing activity of the orbital operations study are presented. The applicability of the procedures to interfacing element pairs is identified.

  4. Rashba spin-orbit coupling for neutral atoms

    NASA Astrophysics Data System (ADS)

    Campbell, Daniel; Juzeliūnas, Gediminas; Spielman, Ian

    2011-05-01

    We theoretically describe a new class of atom-laser coupling schemes which lead to effective spin-orbit coupled Hamiltonians for ultra-cold neutral atoms. By properly setting the optical phases, a pair of degenerate spin states emerge as the lowest energy states in the spectrum, and are thus immune to collisionally induced decay. These schemes use N cyclically coupled ground or metastable internal states but we will specialize to the four-level case for this talk. Time permitting, we will describe a possible implementation of this scheme for 87Rb that adds a controllable Dresselhaus component to the effective Hamiltonian in a natural way. NSF through PFC at JQI, ARO with funds from Atomtronics MURI and DARPA OLE, STREP NAMEQUAM.

  5. Cooperativity of hydrogen-bonded networks in 7-azaindole(CH3OH)n (n=2,3) clusters evidenced by IR-UV ion-dip spectroscopy and natural bond orbital analysis.

    PubMed

    Sakota, Kenji; Kageura, Yutaka; Sekiya, Hiroshi

    2008-08-07

    IR-UV ion-dip spectra of the 7-azaindole (7AI)(CH(3)OH)(n) (n=1-3) clusters have been measured in the hydrogen-bonded NH and OH stretching regions to investigate the stable structures of 7AI(CH(3)OH)(n) (n=1-3) in the S(0) state and the cooperativity of the H-bonding interactions in the H-bonded networks. The comparison of the IR-UV ion-dip spectra with IR spectra obtained by quantum chemistry calculations shows that 7AI(CH(3)OH)(n) (n=1-3) have cyclic H-bonded structures, where the NH group and the heteroaromatic N atom of 7AI act as the proton donor and proton acceptor, respectively. The H-bonded OH stretch fundamental of 7AI(CH(3)OH)(2) is remarkably redshifted from the corresponding fundamental of (CH(3)OH)(2) by 286 cm(-1), which is an experimental manifestation of the cooperativity in H-bonding interaction. Similarly, two localized OH fundamentals of 7AI(CH(3)OH)(3) also exhibit large redshifts. The cooperativity of 7AI(CH(3)OH)(n) (n=2,3) is successfully explained by the donor-acceptor electron delocalization interactions between the lone-pair orbital in the proton acceptor and the antibonding orbital in the proton donor in natural bond orbital (NBO) analyses.

  6. SPECTROSCOPIC ORBITS FOR 15 LATE-TYPE STARS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Willmarth, Daryl W.; Abt, Helmut A.; Fekel, Francis C.

    2016-08-01

    Spectroscopic orbital elements are determined for 15 stars with periods from 8 to 6528 days with six orbits computed for the first time. Improved astrometric orbits are computed for two stars and one new orbit is derived. Visual orbits were previously determined for four stars, four stars are members of multiple systems, and five stars have Hipparcos “G” designations or have been resolved by speckle interferometry. For the nine binaries with previous spectroscopic orbits, we determine improved or comparable elements. For HD 28271 and HD 200790, our spectroscopic results support the conclusions of previous authors that the large values of their massmore » functions and lack of detectable secondary spectrum argue for the secondary in each case being a pair of low-mass dwarfs. The orbits given here may be useful in combination with future interferometric and Gaia satellite observations.« less

  7. Spin-Triplet Pairing Induced by Spin-Singlet Interactions in Noncentrosymmetric Superconductors

    NASA Astrophysics Data System (ADS)

    Matsuzaki, Tomoaki; Shimahara, Hiroshi

    2017-02-01

    In noncentrosymmetric superconductors, we examine the effect of the difference between the intraband and interband interactions, which becomes more important when the band splitting increases. We define the difference ΔVμ between their coupling constants, i.e., that between the intraband and interband hopping energies of intraband Cooper pairs. Here, the subscript μ of ΔVμ indicates that the interactions scatter the spin-singlet and spin-triplet pairs when μ = 0 and μ = 1,2,3, respectively. It is shown that the strong antisymmetric spin-orbit interaction reverses the target spin parity of the interaction: it converts the spin-singlet and spin-triplet interactions represented by ΔV0 and ΔVμ>0 into effective spin-triplet and spin-singlet pairing interactions, respectively. Hence, for example, triplet pairing can be induced solely by the singlet interaction ΔV0. We name the pairing symmetry of the system after that of the intraband Cooper pair wave function, but with an odd-parity phase factor excluded. The pairing symmetry must then be even, even for the triplet component, and the following results are obtained. When ΔVμ is small, the spin-triplet p-wave interactions induce spin-triplet s-wave and spin-triplet d-wave pairings in the regions where the repulsive singlet s-wave interaction is weak and strong, respectively. When ΔV0 is large, a repulsive interband spin-singlet interaction can stabilize spin-triplet pairing. When the Rashba interaction is adopted for the spin-orbit interaction, the spin-triplet pairing interactions mediated by transverse magnetic fluctuations do not contribute to triplet pairing.

  8. Photoinduced Hund excitons in the breakdown of a two-orbital Mott insulator

    NASA Astrophysics Data System (ADS)

    Rincón, Julián; Dagotto, Elbio; Feiguin, Adrian E.

    2018-06-01

    We study the photoinduced breakdown of a two-orbital Mott insulator and resulting metallic state. Using time-dependent density matrix renormalization group, we scrutinize the real-time dynamics of the half-filled two-orbital Hubbard model interacting with a resonant radiation field pulse. The breakdown, caused by production of doublon-holon pairs, is enhanced by Hund's exchange, which dynamically activates large orbital fluctuations. The melting of the Mott insulator is accompanied by a high to low spin transition with a concomitant reduction of antiferromagnetic spin fluctuations. Most notably, the overall time response is driven by the photogeneration of excitons with orbital character that are stabilized by Hund's coupling. These unconventional "Hund excitons" correspond to bound spin-singlet orbital-triplet doublon-holon pairs. We study exciton properties such as bandwidth, binding potential, and size within a semiclassical approach. The photometallic state results from a coexistence of Hund excitons and doublon-holon plasma.

  9. Superconductivity in three-dimensional spin-orbit coupled semimetals

    NASA Astrophysics Data System (ADS)

    Savary, Lucile; Ruhman, Jonathan; Venderbos, Jörn W. F.; Fu, Liang; Lee, Patrick A.

    2017-12-01

    Motivated by the experimental detection of superconductivity in the low-carrier density half-Heusler compound YPtBi, we study the pairing instabilities of three-dimensional strongly spin-orbit coupled semimetals with a quadratic band touching point. In these semimetals the electronic structure at the Fermi energy is described by spin j =3/2 quasiparticles, which are fundamentally different from those in ordinary metals with spin j =1/2 . For both local and nonlocal pairing channels in j =3/2 materials we develop a general approach to analyzing pairing instabilities, thereby providing the computational tools needed to investigate the physics of these systems beyond phenomenological considerations. Furthermore, applying our method to a generic density-density interaction, we establish that: (i) The pairing strengths in the different symmetry channels uniquely encode the j =3/2 nature of the Fermi surface band structure—a manifestation of the fundamental difference with ordinary metals. (ii) The leading odd-parity pairing instabilities are different for electron doping and hole doping. Finally, we argue that polar phonons, i.e., Coulomb interactions mediated by the long-ranged electric polarization of the optical phonon modes, provide a coupling strength large enough to account for a Kelvin-range transition temperature in the s -wave channel, and are likely to play an important role in the overall attraction in non-s -wave channels. Moreover, the explicit calculation of the coupling strengths allows us to conclude that the two largest non-s -wave contributions occur in nonlocal channels, in contrast with what has been commonly assumed.

  10. Majorana surface modes of nodal topological pairings in spin-3/2 semimetals

    NASA Astrophysics Data System (ADS)

    Yang, Wang; Xiang, Tao; Wu, Congjun

    2017-10-01

    When solid state systems possess active orbital-band structures subject to spin-orbit coupling, their multicomponent electronic structures are often described in terms of effective large-spin fermion models. Their topological structures of superconductivity are beyond the framework of spin singlet and triplet Cooper pairings for spin-1/2 systems. Examples include the half-Heusler compound series of RPtBi, where R stands for a rare-earth element. Their spin-orbit coupled electronic structures are described by the Luttinger-Kohn model with effective spin-3/2 fermions and are characterized by band inversion. Recent experiments provide evidence to unconventional superconductivity in the YPtBi material with nodal spin-septet pairing. We systematically study topological pairing structures in spin-3/2 systems with the cubic group symmetries and calculate the surface Majorana spectra, which exhibit zero energy flat bands, or, cubic dispersion depending on the specific symmetry of the superconducting gap functions. The signatures of these surface states in the quasiparticle interference patterns of tunneling spectroscopy are studied, which can be tested in future experiments.

  11. Generation and analysis of correlated pairs of photons on board a nanosatellite

    NASA Astrophysics Data System (ADS)

    Chandrasekara, R.; Tang, Z.; Tan, Y. C.; Cheng, C.; Sha, L.; Hiang, G. C.; Oi, D.; Ling, A.

    2016-10-01

    Progress in quantum computers and their threat to conventional public key infrastructure is driving new forms of encryption. Quantum Key Distribution (QKD) using entangled photons is a promising approach. A global QKD network can be achieved using satellites equipped with optical links. Despite numerous proposals, actual experimental work demonstrating relevant entanglement technology in space is limited due to the prohibitive cost of traditional satellite development. To make progress, we have designed a photon pair source that can operate on modular spacecraft called CubeSats. We report the in-orbit operation of the photon pair source on board an orbiting CubeSat and demonstrate pair generation and polarisation correlation under space conditions. The in-orbit polarisation correlations are compatible with ground-based tests, validating our design. This successful demonstration is a major experimental milestone towards a space-based quantum network. Our approach provides a cost-effective method for proving the space-worthiness of critical components used in entangled photon technology. We expect that it will also accelerate efforts to probe the overlap between quantum and relativistic models of physics.

  12. Orbital stability of compact three-planets systems.

    NASA Astrophysics Data System (ADS)

    Gavino, Sacha; Lissauer, Jack

    2018-04-01

    Recent discoveries unveiled a significant number of compact multi-planetary systems, where the adjacent planets orbits are much closer to those found in the Solar System. Studying the orbital stability of such compact systems provides information on how they form and how long they survive. We performed a general study of three Earth-like planets orbiting a Sun-mass star in circular and coplanar prograde orbits. The simulations were performed over a wide range of mutual Hill radii and were conducted for virtual times reaching at most 10 billion years. Both equally-spaced and unequally spaced planet systems are investigated. We recover the results of previous studies done for systems of planets spaced uniformly in mutual Hill radius and we investigate mean motion resonances and test chaos. We also study systems with different initial spacing between the adjacent inner pair of planets and the outer pair of planets and we displayed their lifetime on a grid at different resolution. Over 45000 simulations have been done. We then characterize isochrones for lifetime of systems of equivalent spacing. We find that the stability time increases significantly for values of mutual Hill radii beyond 8. We also study the affects of mean motion resonances, the degree of symmetry in the grid and test chaos.

  13. Distinct nature of orbital-selective Mott phases dominated by low-energy local spin fluctuations

    NASA Astrophysics Data System (ADS)

    Song, Ze-Yi; Jiang, Xiu-Cai; Lin, Hai-Qing; Zhang, Yu-Zhong

    2017-12-01

    Quantum orbital-selective Mott (OSM) transitions are investigated within dynamical mean-field theory based on a two-orbital Hubbard model with different bandwidth at half filling. We find two distinct OSM phases both showing coexistence of itinerant electrons and localized spins, dependent on whether the Hund's coupling is full or of Ising type. The critical values and the nature of the OSM transitions are efficiently determined by entanglement entropy. We reveal that vanishing of the Kondo energy scale evidenced by absence of local spin fluctuations at low frequency in local dynamical spin susceptibility is responsible for the appearance of non-Fermi-liquid OSM phase in Ising Hund's coupling case. We argue that this scenario can also be applied to account for emergent quantum non-Fermi liquid in the one-band Hubbard model when short-range antiferromagnetic order is considered.

  14. Superconductivity pairing mechanism from cobalt impurity doping in FeSe: Spin (s±) or orbital (s++) fluctuation

    NASA Astrophysics Data System (ADS)

    Urata, T.; Tanabe, Y.; Huynh, K. K.; Yamakawa, Y.; Kontani, H.; Tanigaki, K.

    2016-01-01

    In high-superconducting transition temperature (Tc) iron-based superconductors, interband sign reversal (s±) and sign preserving (s++) s -wave superconducting states have been primarily discussed as the plausible superconducting mechanism. We study Co impurity scattering effects on the superconductivity in order to achieve an important clue on the pairing mechanism using single-crystal Fe1 -xCoxSe and depict a phase diagram of a FeSe system. Both superconductivity and structural transition/orbital order are suppressed by the Co replacement on the Fe sites and disappear above x = 0.036. These correlated suppressions represent a common background physics behind these physical phenomena in the multiband Fermi surfaces of FeSe. By comparing experimental data and theories so far proposed, the suppression of Tc against the residual resistivity is shown to be much weaker than that predicted in the case of general sign reversal and full gap s± models. The origin of the superconducting paring in FeSe is discussed in terms of its multiband electronic structure.

  15. Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theory

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Small, David W.; Sundstrom, Eric J.; Head-Gordon, Martin

    2015-01-14

    Restricted Hartree Fock using complex-valued orbitals (cRHF) is studied. We introduce an orbital pairing theorem, with which we obtain a concise connection between cRHF and real-valued RHF, and use it to uncover the close relationship between cRHF, unrestricted Hartree Fock, and generalized valence bond perfect pairing. This enables an intuition for cRHF, contrasting with the generally unintuitive nature of complex orbitals. We also describe an efficient computer implementation of cRHF and its corresponding stability analysis. By applying cRHF to the Be + H{sub 2} insertion reaction, a Woodward-Hoffmann violating reaction, and a symmetry-driven conical intersection, we demonstrate in genuine molecularmore » systems that cRHF is capable of removing certain potential energy surface singularities that plague real-valued RHF and related methods. This complements earlier work that showed this capability in a model system. We also describe how cRHF is the preferred RHF method for certain radicaloid systems like singlet oxygen and antiaromatic molecules. For singlet O{sub 2}, we show that standard methods fail even at the equilibrium geometry. An implication of this work is that, regardless of their individual efficacies, cRHF solutions to the HF equations are fairly commonplace.« less

  16. Continuation of periodic orbits in the Sun-Mercury elliptic restricted three-body problem

    NASA Astrophysics Data System (ADS)

    Peng, Hao; Bai, Xiaoli; Xu, Shijie

    2017-06-01

    Starting from resonant Halo orbits in the Circular Restricted Three-Body Problem (CRTBP), Multi-revolution Elliptic Halo (ME-Halo) orbits around L1 and L2 points in the Sun-Mercury Elliptic Restricted Three-Body Problem (ERTBP) are generated systematically. Three pairs of resonant parameters M5N2, M7N3 and M9N4 are tested. The first pair shows special features and is investigated in detail. Three separated characteristic curves of periodic orbit around each libration point are obtained, showing the eccentricity varies non-monotonically along these curves. The eccentricity of the Sun-Mercury system can be achieved by continuation method in just a few cases. The stability analysis shows that these orbits are all unstable and the complex instability occurs with certain parameters. This paper shows new periodic orbits in both the CRTBP and the ERTBP. Totally four periodic orbits with parameters M5N2 around each libration points are extracted in the Sun-Mercury ERTBP.

  17. Photoinduced Hund excitons in the breakdown of a two-orbital Mott insulator

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rincon, Julian; Dagotto, Elbio R.; Feiguin, Adrian E.

    We study the photoinduced breakdown of a two-orbital Mott insulator and resulting metallic state. Using time-dependent density matrix renormalization group, we scrutinize the real-time dynamics of the half-filled two-orbital Hubbard model interacting with a resonant radiation field pulse. The breakdown, caused by production of doublon-holon pairs, is enhanced by Hund's exchange, which dynamically activates large orbital fluctuations. The melting of the Mott insulator is accompanied by a high to low spin transition with a concomitant reduction of antiferromagnetic spin fluctuations. Most notably, the overall time response is driven by the photogeneration of excitons with orbital character that are stabilized bymore » Hund's coupling. These unconventional “Hund excitons” correspond to bound spin-singlet orbital-triplet doublon-holon pairs. We study exciton properties such as bandwidth, binding potential, and size within a semiclassical approach. In conclusion, the photometallic state results from a coexistence of Hund excitons and doublon-holon plasma.« less

  18. Photoinduced Hund excitons in the breakdown of a two-orbital Mott insulator

    DOE PAGES

    Rincon, Julian; Dagotto, Elbio R.; Feiguin, Adrian E.

    2018-06-05

    We study the photoinduced breakdown of a two-orbital Mott insulator and resulting metallic state. Using time-dependent density matrix renormalization group, we scrutinize the real-time dynamics of the half-filled two-orbital Hubbard model interacting with a resonant radiation field pulse. The breakdown, caused by production of doublon-holon pairs, is enhanced by Hund's exchange, which dynamically activates large orbital fluctuations. The melting of the Mott insulator is accompanied by a high to low spin transition with a concomitant reduction of antiferromagnetic spin fluctuations. Most notably, the overall time response is driven by the photogeneration of excitons with orbital character that are stabilized bymore » Hund's coupling. These unconventional “Hund excitons” correspond to bound spin-singlet orbital-triplet doublon-holon pairs. We study exciton properties such as bandwidth, binding potential, and size within a semiclassical approach. In conclusion, the photometallic state results from a coexistence of Hund excitons and doublon-holon plasma.« less

  19. Mission Design for the Lunar Reconnaissance Orbiter

    NASA Technical Reports Server (NTRS)

    Beckman, Mark

    2007-01-01

    The Lunar Reconnaissance Orbiter (LRO) will be the first mission under NASA's Vision for Space Exploration. LRO will fly in a low 50 km mean altitude lunar polar orbit. LRO will utilize a direct minimum energy lunar transfer and have a launch window of three days every two weeks. The launch window is defined by lunar orbit beta angle at times of extreme lighting conditions. This paper will define the LRO launch window and the science and engineering constraints that drive it. After lunar orbit insertion, LRO will be placed into a commissioning orbit for up to 60 days. This commissioning orbit will be a low altitude quasi-frozen orbit that minimizes stationkeeping costs during commissioning phase. LRO will use a repeating stationkeeping cycle with a pair of maneuvers every lunar sidereal period. The stationkeeping algorithm will bound LRO altitude, maintain ground station contact during maneuvers, and equally distribute periselene between northern and southern hemispheres. Orbit determination for LRO will be at the 50 m level with updated lunar gravity models. This paper will address the quasi-frozen orbit design, stationkeeping algorithms and low lunar orbit determination.

  20. Vibrational spectral investigation and natural bond orbital analysis of pharmaceutical compound 7-Amino-2,4-dimethylquinolinium formate - DFT approach

    NASA Astrophysics Data System (ADS)

    Suresh, D. M.; Amalanathan, M.; Sebastian, S.; Sajan, D.; Hubert Joe, I.; Bena Jothy, V.; Nemec, Ivan

    2013-11-01

    The molecular geometry, the normal mode frequencies and corresponding vibrational assignments, natural bond orbital analysis and the HOMO-LUMO analysis of 7-Amino-2,4-dimethylquinolinium formate in the ground state were performed by B3LYP levels of theory using the 6-31G(d) basis set. The optimised bond lengths and bond angles are in good agreement with the X-ray data. The vibrational spectra of the title compound which is calculated by DFT method, reproduces vibrational wave numbers and intensities with an accuracy which allows reliable vibrational assignments. The possibility of N-H⋯O hydrogen bonding was identified using NBO analysis. Natural bond orbital analysis confirms the presence of intramolecular charge transfer and the hydrogen bonding interaction.

  1. Validation of rearrangement break points identified by paired-end sequencing in natural populations of Drosophila melanogaster.

    PubMed

    Cridland, Julie M; Thornton, Kevin R

    2010-01-13

    Several recent studies have focused on the evolution of recently duplicated genes in Drosophila. Currently, however, little is known about the evolutionary forces acting upon duplications that are segregating in natural populations. We used a high-throughput, paired-end sequencing platform (Illumina) to identify structural variants in a population sample of African D. melanogaster. Polymerase chain reaction and sequencing confirmation of duplications detected by multiple, independent paired-ends showed that paired-end sequencing reliably uncovered the break points of structural rearrangements and allowed us to identify a number of tandem duplications segregating within a natural population. Our confirmation experiments show that rates of confirmation are very high, even at modest coverage. Our results also compare well with previous studies using microarrays (Emerson J, Cardoso-Moreira M, Borevitz JO, Long M. 2008. Natural selection shapes genome wide patterns of copy-number polymorphism in Drosophila melanogaster. Science. 320:1629-1631. and Dopman EB, Hartl DL. 2007. A portrait of copy-number polymorphism in Drosophila melanogaster. Proc Natl Acad Sci U S A. 104:19920-19925.), which both gives us confidence in the results of this study as well as confirms previous microarray results.We were also able to identify whole-gene duplications, such as a novel duplication of Or22a, an olfactory receptor, and identify copy-number differences in genes previously known to be under positive selection, like Cyp6g1, which confers resistance to dichlorodiphenyltrichloroethane. Several "hot spots" of duplications were detected in this study, which indicate that particular regions of the genome may be more prone to generating duplications. Finally, population frequency analysis of confirmed events also showed an excess of rare variants in our population, which indicates that duplications segregating in the population may be deleterious and ultimately destined to be lost from the

  2. Thermoluminescence of Antarctic meteorites: A rapid screening technique for terrestrial age estimation, pairing studies and identification of specimens with unusual prefall histories

    NASA Technical Reports Server (NTRS)

    Sutton, S. R.; Walker, R. M.

    1986-01-01

    Thermoluminescence (TL) is a promising technique for rapid screening of the large numbers of Antarctic meteorites, permitting identification of interesting specimens that can then be studied in detail by other, more definite techniques. Specifically, TL permits determination of rough terrestrial age, identification of potential paired groups and location of specimens with unusual pre-fall histories. Meteorites with long terrestrial ages are particularly valuable for studying transport and weathering mechanisms. Pairing studies are possible because TL variations among meteorites are large compared to variations within individual objects, especially for natural TL. Available TL data for several L3 fragments, three of which were paired by other techniques, are presented as an example of the use of TL parameters in pairing studies. Additional TL measurements, specifically a blind test, are recommended to satisfactorily establish the reliability of this pairing property. The TL measurements also identify fragments with unusual pre-fall histories, such an near-Sun orbits.

  3. Altimetry, Orbits and Tides

    NASA Technical Reports Server (NTRS)

    Colombo, O. L.

    1984-01-01

    The nature of the orbit error and its effect on the sea surface heights calculated with satellite altimetry are explained. The elementary concepts of celestial mechanics required to follow a general discussion of the problem are included. Consideration of errors in the orbits of satellites with precisely repeating ground tracks (SEASAT, TOPEX, ERS-1, POSEIDON, amongst past and future altimeter satellites) are detailed. The theoretical conclusions are illustrated with the numerical results of computer simulations. The nature of the errors in this type of orbits is such that this error can be filtered out by using height differences along repeating (overlapping) passes. This makes them particularly valuable for the study and monitoring of changes in the sea surface, such as tides. Elements of tidal theory, showing how these principles can be combined with those pertinent to the orbit error to make direct maps of the tides using altimetry are presented.

  4. Options for the Further Orbit Evolution of the Swarm Mission

    NASA Astrophysics Data System (ADS)

    Sieg, Detlef; Diekmann, Frank

    2016-08-01

    The three satellites of ESA's magnetic field mission Swarm were launched into a common low Earth circular orbit in November 2013 to measure precisely the magnetic signals from Earth's core, mantle, crust and oceans, as well as the ionosphere and magnetosphere. Since completion of the orbit acquisition phase in April 2014 one satellite (Swarm-B) is flying in a higher orbit with an inclination of 87.8deg and an altitude decaying from 520km. The other two satellites are Swarm-A (trailing) and Swarm-C (leading). They form the lower pair with an initial altitude of 473km, an inclination of 87.4 deg and an ascending node difference of 1.4 deg. The original mission analysis foresaw a decay of the lower pair down to 300km altitude within 4 years after launch. The target altitude of the launcher injection orbit was selected accordingly with some margin due to uncertainties in the solar activity prediction. However the final altitude selection had to be provided more than half a year before launch. Following several launch delays, the major part of the mission falls now beyond the maximum of the current solar cycle. Because of the lower radio flux and geomagnetic activity, the air drag forces are now much lower and the actual decay takes longer.As a first countermeasure the target for the inclination difference between Swarm-B and Swarm-A/C was reduced to 0.4deg shortly before the start of the orbit acquisition manoeuvre sequence early 2014 such that the LTAN drift between the orbit planes of B and A/C has been reduced to 1.5h per year to avoid a too large difference towards the end of the mission.First the paper describes the routine orbit determination approach by ESOC flight dynamics, which is used to determine absolute drag scale factors. Based on the in- flight calibrated values, long-term orbit predictions are calculated every half a year and can be compared against the actual observed decay. This gives good confidence for the prediction of the future altitude

  5. Calculation of precision satellite orbits with nonsingular elements /VOP formulation/

    NASA Technical Reports Server (NTRS)

    Velez, C. E.; Cefola, P. J.; Long, A. C.; Nimitz, K. S.

    1974-01-01

    Review of some results obtained in an effort to develop efficient, high-precision trajectory computation processes for artificial satellites by optimum selection of the form of the equations of motion of the satellite and the numerical integration method. In particular, the matching of a Gaussian variation-of-parameter (VOP) formulation is considered which is expressed in terms of equinoctial orbital elements and partially decouples the motion of the orbital frame from motion within the orbital frame. The performance of the resulting orbit generators is then compared with the popular classical Cowell/Gauss-Jackson formulation/integrator pair for two distinctly different orbit types - namely, the orbit of the ATS satellite at near-geosynchronous conditions and the near-circular orbit of the GEOS-C satellite at 1000 km.

  6. Orbital involvement in extranodal natural killer T cell lymphoma: an atypical case presentation and review of the literature.

    PubMed

    Ely, A; Evans, J; Sundstrom, J M; Malysz, J; Specht, C S; Wilkinson, M

    2012-08-01

    To report a rare case of extranodal NK/T cell lymphoma (NKTL) and to compare its features with those cases previously reported. Case report, observational and literature review. Complete ophthalmologic examinations followed by excisional biopsy, histopathologic examination and therapy with radiation and chemotherapy. Evaluation of clinical presenting features and histopathologic diagnosis along with patient outcome. A 22 year old female presented as a referral with right orbital swelling, decreased vision and eye pain for 5 weeks. Subsequent orbital CT and multiple biopsies resulted in a diagnosis of extranodal natural killer (NK)/T cell lymphoma (NKTL). Despite continued chemotherapy and orbital radiation the patient expired within 3 months of diagnosis. To our knowledge, only 8 cases of orbital involvement without nasal mucosal involvement are reported in the literature, the majority in patients of male gender around the fifth decade. Here we present an atypical and aggressive case of extranodal NK/T cell lymphoma presenting in a 22 year old Caucasian female as orbital swelling without evidence of nasal mucosal involvement. It is important to distinguish NKTL from the more common benign lymphoproliferative lesions of the orbital adnexa as prognosis of these two clinical entities varies and timely diagnosis is key. The present case demonstrates that extranodal NKTL can occur in the orbit without evidence of the more common nasal mucosal presentations and should be included in the differential diagnosis of ocular adnexal lesions suspicious for a lymphoproliferative disorder and/or an inflammatory process.

  7. Vibrational spectral investigation and natural bond orbital analysis of pharmaceutical compound 7-Amino-2,4-dimethylquinolinium formate - DFT approach.

    PubMed

    Suresh, D M; Amalanathan, M; Sebastian, S; Sajan, D; Hubert Joe, I; Bena Jothy, V; Nemec, Ivan

    2013-11-01

    The molecular geometry, the normal mode frequencies and corresponding vibrational assignments, natural bond orbital analysis and the HOMO-LUMO analysis of 7-Amino-2,4-dimethylquinolinium formate in the ground state were performed by B3LYP levels of theory using the 6-31G(d) basis set. The optimised bond lengths and bond angles are in good agreement with the X-ray data. The vibrational spectra of the title compound which is calculated by DFT method, reproduces vibrational wave numbers and intensities with an accuracy which allows reliable vibrational assignments. The possibility of N-H⋯O hydrogen bonding was identified using NBO analysis. Natural bond orbital analysis confirms the presence of intramolecular charge transfer and the hydrogen bonding interaction. Copyright © 2013 The Authors. Published by Elsevier B.V. All rights reserved.

  8. Natural Immunoreactivity of Secretory IgA to Indigenous Strains of Streptococcus mutans From Chinese Spousal Pairs

    PubMed Central

    Nie, Min; Chen, Dong; Gao, Zhenyan; Wu, Xinyu; Li, Tong

    2016-01-01

    Background Dental caries is a well-known biofilm-mediated disease initiated by Streptococcus mutans, which should infect and colonize in a milieu perfused with components of the mucosal immune system. Little is known, however, regarding the relationship between the natural secretory IgA activity and S. mutans of a variety of diverse genotypes. Objectives The current study aimed to use spousal pairs to investigate the natural immunoreactivity of salivary secretory IgA to different genotype strains of S. mutans. Patients and Methods Indigenous strains were characterized from nine spousal pairs using polymerase reaction chain (PCR) and arbitrarily primed polymerase chain reaction (AP-PCR) by genotype monitoring. Unstimulated submandibular/sublingual secretions were collected and the concentrations of secretory IgA were determined by the enzyme-linked immunosorbent assay (ELISA). Each saliva sample was examined by Western blot to analyze the immunoreactivity of naturally occurring salivary secretory IgA antibodies for his/her own indigenous strain, spouse’s strain and reference strains including S. mutans GS-5 and Ingbritt (C). Results The results showed that naturally induced salivary IgA antibodies against S. mutans were present in all subjects. Almost all subjects had the similar individual immunoblotting profiles to different genotype strains. Conclusions The current study indicated that the immunoreactivity of secretory IgA might have no direct correlation with the colonization of indigenous flora and rejection of exogenous strains in adults. The relationship of microbes, host and dental caries should be in the light of coevolved microecosystem as a whole, but not caused by one factor alone. PMID:27303613

  9. Orbital operations study. Volume 1: Mission analysis

    NASA Technical Reports Server (NTRS)

    Steinwachs, W. L.

    1972-01-01

    The final report of the orbital operations study and a summary of the 25 elements in the study inventory are presented. Fourteen interfacing activities are defined. Eleven mission models encompassing all potential interfacing element pairs and interfacing activities are included.

  10. A natural language processing pipeline for pairing measurements uniquely across free-text CT reports.

    PubMed

    Sevenster, Merlijn; Bozeman, Jeffrey; Cowhy, Andrea; Trost, William

    2015-02-01

    To standardize and objectivize treatment response assessment in oncology, guidelines have been proposed that are driven by radiological measurements, which are typically communicated in free-text reports defying automated processing. We study through inter-annotator agreement and natural language processing (NLP) algorithm development the task of pairing measurements that quantify the same finding across consecutive radiology reports, such that each measurement is paired with at most one other ("partial uniqueness"). Ground truth is created based on 283 abdomen and 311 chest CT reports of 50 patients each. A pre-processing engine segments reports and extracts measurements. Thirteen features are developed based on volumetric similarity between measurements, semantic similarity between their respective narrative contexts and structural properties of their report positions. A Random Forest classifier (RF) integrates all features. A "mutual best match" (MBM) post-processor ensures partial uniqueness. In an end-to-end evaluation, RF has precision 0.841, recall 0.807, F-measure 0.824 and AUC 0.971; with MBM, which performs above chance level (P<0.001), it has precision 0.899, recall 0.776, F-measure 0.833 and AUC 0.935. RF (RF+MBM) has error-free performance on 52.7% (57.4%) of report pairs. Inter-annotator agreement of three domain specialists with the ground truth (κ>0.960) indicates that the task is well defined. Domain properties and inter-section differences are discussed to explain superior performance in abdomen. Enforcing partial uniqueness has mixed but minor effects on performance. A combined machine learning-filtering approach is proposed for pairing measurements, which can support prospective (supporting treatment response assessment) and retrospective purposes (data mining). Copyright © 2014 Elsevier Inc. All rights reserved.

  11. Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs.

    PubMed

    Bao, Junwei Lucas; Odoh, Samuel O; Gagliardi, Laura; Truhlar, Donald G

    2017-02-14

    We study the performance of multiconfiguration pair-density functional theory (MC-PDFT) and multireference perturbation theory for the computation of the bond dissociation energies in 12 transition-metal-containing diatomic molecules and three small transition-metal-containing polyatomic molecules and in two transition-metal dimers. The first step is a multiconfiguration self-consistent-field calculation, for which two choices must be made: (i) the active space and (ii) its partition into subspaces, if the generalized active space formulation is used. In the present work, the active space is chosen systematically by using three correlated-participating-orbitals (CPO) schemes, and the partition is chosen by using the separated-pair (SP) approximation. Our calculations show that MC-PDFT generally has similar accuracy to CASPT2, and the active-space dependence of MC-PDFT is not very great for transition-metal-ligand bond dissociation energies. We also find that the SP approximation works very well, and in particular SP with the fully translated BLYP functional SP-ftBLYP is more accurate than CASPT2. SP greatly reduces the number of configuration state functions relative to CASSCF. For the cases of FeO and NiO with extended-CPO active space, for which complete active space calculations are unaffordable, SP calculations are not only affordable but also of satisfactory accuracy. All of the MC-PDFT results are significantly better than the corresponding results with broken-symmetry spin-unrestricted Kohn-Sham density functional theory. Finally we test a perturbation theory method based on the SP reference and find that it performs slightly worse than CASPT2 calculations, and for most cases of the nominal-CPO active space, the approximate SP perturbation theory calculations are less accurate than the much less expensive SP-PDFT calculations.

  12. The first row anomaly and recoupled pair bonding in the halides of the late p-block elements.

    PubMed

    Dunning, Thom H; Woon, David E; Leiding, Jeff; Chen, Lina

    2013-02-19

    The dramatic differences between the properties of molecules formed from the late p-block elements of the first row of the periodic table (N-F) and those of the corresponding elements in subsequent rows is well recognized as the first row anomaly. Certain properties of the atoms, such as the relative energies and spatial extents of the ns and np orbitals, can explain some of these differences, but not others. In this Account, we summarize the results of our recent computational studies of the halides of the late p-block elements. Our studies point to a single underlying cause for many of these differences: the ability of the late p-block elements in the second and subsequent rows of the periodic table to form recoupled pair bonds and recoupled pair bond dyads with very electronegative ligands. Recoupled pair bonds form when an electron in a singly occupied ligand orbital recouples the pair of electrons in a doubly occupied lone pair orbital on the central atom, leading to a central atom-ligand bond. Recoupled pair bond dyads occur when a second ligand forms a bond with the orbital left over from the initial recoupled pair bond. Recoupled pair bonds and recoupled pair bond dyads enable the late p-block elements to form remarkably stable hypervalent compounds such as PF(5) and SF(6) and lead to unexpected excited states in smaller halides of the late p-block elements such as SF and SF(2). Recoupled pair bonding also causes the F(n-1)X-F bond energies to oscillate dramatically once the normal valences of the central atoms have been satisfied. In addition, recoupled pair bonding provides a lower-energy pathway for inversion in heavily fluorinated compounds (PF(3) and PF(2)H, but not PH(2)F and PH(3)) and leads to unusual intermediates and products in reactions involving halogens and late p-block element compounds, such as (CH(3))(2)S + F(2). Although this Account focuses on the halides of the second row, late p-block elements, recoupled pair bonds and recoupled pair

  13. Role of the pair potential for the saturation of generalized Pauli constraints

    NASA Astrophysics Data System (ADS)

    Legeza, Örs; Schilling, Christian

    2018-05-01

    The dependence of the (quasi-)saturation of the generalized Pauli constraints on the pair potential is studied for ground states of few-fermion systems. For this, we consider spinless fermions in one dimension which are harmonically confined and interact by pair potentials of the form | xi-xj|s with -1 ≤s ≤5 . We use the density matrix renormalization group approach and large orbital basis to achieve the convergence on more than ten digits of both the variational energy and the natural occupation numbers. Our results confirm that the conflict between energy minimization and fermionic exchange symmetry results in a universal and nontrivial quasisaturation of the generalized Pauli constraints (quasipinning), implying tremendous structural simplifications of the fermionic ground state for all s . Those numerically exact results are complemented by an analytical study based on a self-consistent perturbation theory which we develop for this purpose. The respective results for the weak-coupling regime eventually elucidate the singular behavior found for the specific values s =2 ,4 ,..., resulting in an extremely strong quasipinning.

  14. Functional renormalization group study of orbital fluctuation mediated superconductivity: Impact of the electron-boson coupling vertex corrections

    NASA Astrophysics Data System (ADS)

    Tazai, Rina; Yamakawa, Youichi; Tsuchiizu, Masahisa; Kontani, Hiroshi

    2016-09-01

    In various multiorbital systems, the emergence of the orbital fluctuations and their role on the pairing mechanism attract increasing attention. To achieve deep understanding on these issues, we perform a functional renormalization group (fRG) study for the two-orbital Hubbard model. The vertex corrections for the electron-boson coupling (U -VC), which are dropped in the Migdal-Eliashberg gap equation, are obtained by solving the RG equation. We reveal that the dressed electron-boson coupling for the charge channel Ûeffc becomes much larger than the bare Coulomb interaction Û 0 due to the U -VC in the presence of moderate spin fluctuations. For this reason, the attractive pairing interaction due to the charge or orbital fluctuations is enlarged by the factor (Ûeffc/Û0) 2≫1 . In contrast, the spin fluctuation pairing interaction is suppressed by the spin-channel U -VC, because of the relation Ûeffs≪Û 0 . The present study demonstrates that the orbital or charge fluctuation pairing mechanism can be realized in various multiorbital systems thanks to the U -VC, such as in Fe-based superconductors.

  15. An instrument for discrimination between orbital debris and natural particles in near-Earth space

    NASA Astrophysics Data System (ADS)

    Tuzzolino, A. J.; Simpson, J. A.; McKibben, R. B.; Voss, H. D.; Gursky, H.

    1993-08-01

    We discuss a SPAce DUSt instrument (SPADUS) under development for flight on the USA ARGOS mission to measure the flux, mass, velocity and trajectory of near-Earth dust. Since natural (cosmic) dust and man-made dust particles (orbital debris) have different velocity and trajectory distributions, they are distinguished by means of the SPADUS velocity/trajectory information. Measurements will cover the dust mass range ~5×10-12 g (2 μm diameter) to ~ 1×10-5g (200 μm diameter), with an expected mean error in particle trajectory of ~7° (isotropic flux).

  16. Structure of transition-metal cluster compounds: Use of an additional orbital resulting from the f, g character of spd bond orbitals*

    PubMed Central

    Pauling, Linus

    1977-01-01

    A general theory of the structure of complexes of the transition metals is developed on the basis of the enneacovalence of the metals and the requirements of the electroneutrality principle. An extra orbital may be provided through the small but not negligible amount of f and g character of spd bond orbitals, and an extra electron or electron pair may be accepted in this orbital for a single metal or a cluster to neutralize the positive electric charge resulting from the partial ionic character of the bonds with ligands, such as the carbonyl group. Examples of cluster compounds of cobalt, ruthenium, rhodium, osmium, and gold are discussed. PMID:16592470

  17. Structure of transition-metal cluster compounds: Use of an additional orbital resulting from the f, g character of spd bond orbitals.

    PubMed

    Pauling, L

    1977-12-01

    A general theory of the structure of complexes of the transition metals is developed on the basis of the enneacovalence of the metals and the requirements of the electroneutrality principle. An extra orbital may be provided through the small but not negligible amount of f and g character of spd bond orbitals, and an extra electron or electron pair may be accepted in this orbital for a single metal or a cluster to neutralize the positive electric charge resulting from the partial ionic character of the bonds with ligands, such as the carbonyl group. Examples of cluster compounds of cobalt, ruthenium, rhodium, osmium, and gold are discussed.

  18. Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective

    PubMed Central

    Wolters, Lando P; Bickelhaupt, F Matthias

    2012-01-01

    We have carried out extensive computational analyses of the structure and bonding mechanism in trihalides DX⋅⋅⋅A− and the analogous hydrogen-bonded complexes DH⋅⋅⋅A− (D, X, A=F, Cl, Br, I) using relativistic density functional theory (DFT) at zeroth-order regular approximation ZORA-BP86/TZ2P. One purpose was to obtain a set of consistent data from which reliable trends in structure and stability can be inferred over a large range of systems. The main objective was to achieve a detailed understanding of the nature of halogen bonds, how they resemble, and also how they differ from, the better understood hydrogen bonds. Thus, we present an accurate physical model of the halogen bond based on quantitative Kohn–Sham molecular orbital (MO) theory, energy decomposition analyses (EDA) and Voronoi deformation density (VDD) analyses of the charge distribution. It appears that the halogen bond in DX⋅⋅⋅A− arises not only from classical electrostatic attraction but also receives substantial stabilization from HOMO–LUMO interactions between the lone pair of A− and the σ* orbital of D–X. PMID:24551497

  19. Orbit Correction for the Newly Developed Polarization-Switching Undulator

    NASA Astrophysics Data System (ADS)

    Obina, Takashi; Honda, Tohru; Shioya, Tatsuro; Kobayashi, Yukinori; Tsuchiya, Kimichika; Yamamoto, Shigeru

    2007-01-01

    A new scheme of undulator magnet arrangements has been proposed and developed as a polarization-switching radiation source, and its test-stand was installed in the 2.5-GeV Photon Factory storage ring (PF ring) in order to investigate the effects on the beam orbit. The closed orbit distortion (COD) over 200 μm was produced in a vertical direction when we switched the polarization of the radiation from the test-stand. In a horizontal direction, the COD was less than 50μm. The results agreed well with the predictions from the magnetic-field measurement on the bench. In order to suppress the CODs and realize a stable operation of the ring with the polarization-switching, we developed an orbit correction system which consists of an encoder to detect motion of magnets, a pair of beam position monitors (BPMs), signal processing parts, and a pair of steering magnets. We succeeded in suppressing the CODs to the level below 3μm using the system even when we switch the polarization at a maximum frequency of 0.8 Hz.

  20. On-Orbit Compressor Technology Program

    NASA Technical Reports Server (NTRS)

    Deffenbaugh, Danny M.; Svedeman, Steven J.; Schroeder, Edgar C.; Gerlach, C. Richard

    1990-01-01

    A synopsis of the On-Orbit Compressor Technology Program is presented. The objective is the exploration of compressor technology applicable for use by the Space Station Fluid Management System, Space Station Propulsion System, and related on-orbit fluid transfer systems. The approach is to extend the current state-of-the-art in natural gas compressor technology to the unique requirements of high-pressure, low-flow, small, light, and low-power devices for on-orbit applications. This technology is adapted to seven on-orbit conceptual designs and one prototype is developed and tested.

  1. Validation of Galileo orbits using SLR with a focus on satellites launched into incorrect orbital planes

    NASA Astrophysics Data System (ADS)

    Sośnica, Krzysztof; Prange, Lars; Kaźmierski, Kamil; Bury, Grzegorz; Drożdżewski, Mateusz; Zajdel, Radosław; Hadas, Tomasz

    2018-02-01

    The space segment of the European Global Navigation Satellite System (GNSS) Galileo consists of In-Orbit Validation (IOV) and Full Operational Capability (FOC) spacecraft. The first pair of FOC satellites was launched into an incorrect, highly eccentric orbital plane with a lower than nominal inclination angle. All Galileo satellites are equipped with satellite laser ranging (SLR) retroreflectors which allow, for example, for the assessment of the orbit quality or for the SLR-GNSS co-location in space. The number of SLR observations to Galileo satellites has been continuously increasing thanks to a series of intensive campaigns devoted to SLR tracking of GNSS satellites initiated by the International Laser Ranging Service. This paper assesses systematic effects and quality of Galileo orbits using SLR data with a main focus on Galileo satellites launched into incorrect orbits. We compare the SLR observations with respect to microwave-based Galileo orbits generated by the Center for Orbit Determination in Europe (CODE) in the framework of the International GNSS Service Multi-GNSS Experiment for the period 2014.0-2016.5. We analyze the SLR signature effect, which is characterized by the dependency of SLR residuals with respect to various incidence angles of laser beams for stations equipped with single-photon and multi-photon detectors. Surprisingly, the CODE orbit quality of satellites in the incorrect orbital planes is not worse than that of nominal FOC and IOV orbits. The RMS of SLR residuals is even lower by 5.0 and 1.5 mm for satellites in the incorrect orbital planes than for FOC and IOV satellites, respectively. The mean SLR offsets equal -44.9, -35.0, and -22.4 mm for IOV, FOC, and satellites in the incorrect orbital plane. Finally, we found that the empirical orbit models, which were originally designed for precise orbit determination of GNSS satellites in circular orbits, provide fully appropriate results also for highly eccentric orbits with variable linear

  2. Orbital dynamics in galaxy mergers

    NASA Astrophysics Data System (ADS)

    Hoffman, Loren

    In the favored vacuum energy + cold dark matter (ACDM) cosmology, galaxies form through a hierarchical merging process. Mergers between comparable-mass sys tems are qualitatively different from the ongoing accretion of small objects by much larger ones, in that they can radically transform the nature of the merging objects, e.g. through violent relaxation of the stars and dark matter, triggered starbursts, and quasar activity. This thesis covers two phenomena unique to major galaxy mergers: the formation of supermassive black hole (SMBH) binary and triple systems, and the transformation of the stellar orbit structure through violent relaxation, triggered gas inflow, and star formation. In a major merger, the SMBHs can spiral in and form a bound binary in less than a Hubble time. If the binary lifetime exceeds the typical time between mergers, then triple black hole (BH) systems may form. We study the statistics of close triple-SMBH encounters in galactic nuclei by computing a series of three-body orbits with physically-motivated initial conditions appropriate for giant elliptical galaxies. Our simulations include a smooth background potential consisting of a stellar bulge plus a dark matter halo, drag forces due to gravitational radiation and dynamical friction on the stars and dark matter, and a simple model of the time evolution of the inner density profile under heating and mass ejection by the SMBHs. We find that the binary pair coalesces as a result of repeated close encounters in ~85% of our runs. In about 40% of the runs the lightest BH is left wandering through the galactic halo or escapes the galaxy altogether. The triple systems typically scour out cores with mass deficits ~1-2 times their total mass. The high coalescence rate and prevalence of very high-eccentricity orbits could provide interesting signals for the future Laser Interferometer Space Antenna (LISA). Our study of remnant orbit structure involved 42 disk-disk mergers at various gas fractions

  3. Strongly interacting Sarma superfluid near orbital Feshbach resonances

    NASA Astrophysics Data System (ADS)

    Zou, Peng; He, Lianyi; Liu, Xia-Ji; Hu, Hui

    2018-04-01

    We investigate the nature of superfluid pairing in a strongly interacting Fermi gas near orbital Feshbach resonances with spin-population imbalance in three dimensions, which can be well described by a two-band or two-channel model. We show that a Sarma superfluid with gapless single-particle excitations is favored in the closed channel at large imbalance. It is thermodynamically stable against the formation of an inhomogeneous Fulde-Ferrell-Larkin-Ovchinnikov superfluid and features a well-defined Goldstone-Anderson-Bogoliubov phonon mode and a massive Leggett mode as collective excitations at low momentum. At large momentum, the Leggett mode disappears and the phonon mode becomes damped at zero temperature, due to the coupling to the particle-hole excitations. We discuss possible experimental observation of a strongly interacting Sarma superfluid with ultracold alkaline-earth-metal Fermi gases.

  4. Gamow-Teller transitions and neutron-proton-pair transfer reactions

    NASA Astrophysics Data System (ADS)

    Van Isacker, P.; Macchiavelli, A. O.

    2018-05-01

    We propose a schematic model of nucleons moving in spin-orbit partner levels, j = l ± 1/2, to explain Gamow-Teller and two-nucleon transfer data in N = Z nuclei above 40Ca. Use of the LS coupling scheme provides a more transparent approach to interpret the structure and reaction data. We apply the model to the analysis of charge-exchange, 42Ca(3He,t)42Sc, and np-transfer, 40Ca(3He,p)42Sc, reactions data to define the elementary modes of excitation in terms of both isovector and isoscalar pairs, whose properties can be determined by adjusting the parameters of the model (spin-orbit splitting, isovector pairing strength and quadrupole matrix element) to the available data. The overall agreement with experiment suggests that the approach captures the main physics ingredients and provides the basis for a boson approximation that can be extended to heavier nuclei. Our analysis also reveals that the SU(4)-symmetry limit is not realized in 42Sc.

  5. A twelve-year comparison of stand changes in a mahogany plantation and a paired natural forest of similar ages.

    Treesearch

    S. Fu; C. Rodr¡guez Pedraza; A. E. Lugo

    1996-01-01

    we compared forest structure over a 12 yr period. 1982-1994 that include measurements before and after a servere hurricaine in two forests: a 64 yr old swietenia macrophylla tree plantantion and a paired natural forest of similar age in a subtropical wet forests

  6. Proximity-induced mixed odd- and even-frequency pairing in monolayer NbSe2

    NASA Astrophysics Data System (ADS)

    Aliabad, Mojtaba Rahimi; Zare, Mohammad-Hossein

    2018-06-01

    Monolayer superconducting transition-metal dichalcogenide NbSe2 is a candidate for a nodal topological superconductor by magnetic field. Because of the so-called Ising spin-orbit coupling that strongly pins the electron spins to the out-of-plane direction, Cooper pairs in monolayer superconductor NbSe2 are protected against an applied in-plane magnetic field much larger than the Pauli limit. In monolayer NbSe2, in addition to the Fermi pockets at the corners of Brillouin zone with opposite crystal momentum similar to other semiconducting transition-metal dichalcogenids, there is an extra Fermi pocket around the Γ point with much smaller spin splitting, which could lead to an alternative strategy for pairing possibilities that are manipulable by a smaller magnetic field. By considering a monolayer NbSe2-ferromagnet substrate junction, we explore the modified pairing correlations on the pocket at Γ point in hole-doped monolayer NbSe2. The underlying physics is fascinating as there is a delicate interplay of the induced exchange field and the Ising spin-orbit coupling. We realize a mixed singlet-triplet superconductivity, s +f , due to the Ising spin-orbit coupling. Moreover, our results reveal the admixture state including both odd- and even-frequency components, associated with the ferromagnetic proximity effect. Different frequency symmetries of the induced pairing correlations can be realized by manipulating the magnitude and direction of the induced magnetization.

  7. The First Row Anomaly and Recoupled Pair Bonding in the Halides of the Late p-Block Elements

    PubMed Central

    2012-01-01

    The dramatic differences between the properties of molecules formed from the late p-block elements of the first row of the periodic table (N–F) and those of the corresponding elements in subsequent rows is well recognized as the first row anomaly. Certain properties of the atoms, such as the relative energies and spatial extents of the ns and np orbitals, can explain some of these differences, but not others. In this Account, we summarize the results of our recent computational studies of the halides of the late p-block elements. Our studies point to a single underlying cause for many of these differences: the ability of the late p-block elements in the second and subsequent rows of the periodic table to form recoupled pair bonds and recoupled pair bond dyads with very electronegative ligands. Recoupled pair bonds form when an electron in a singly occupied ligand orbital recouples the pair of electrons in a doubly occupied lone pair orbital on the central atom, leading to a central atom-ligand bond. Recoupled pair bond dyads occur when a second ligand forms a bond with the orbital left over from the initial recoupled pair bond. Recoupled pair bonds and recoupled pair bond dyads enable the late p-block elements to form remarkably stable hypervalent compounds such as PF5 and SF6 and lead to unexpected excited states in smaller halides of the late p-block elements such as SF and SF2. Recoupled pair bonding also causes the Fn–1X–F bond energies to oscillate dramatically once the normal valences of the central atoms have been satisfied. In addition, recoupled pair bonding provides a lower-energy pathway for inversion in heavily fluorinated compounds (PF3 and PF2H, but not PH2F and PH3) and leads to unusual intermediates and products in reactions involving halogens and late p-block element compounds, such as (CH3)2S + F2. Although this Account focuses on the halides of the second row, late p-block elements, recoupled pair bonds and recoupled pair bond dyads are

  8. Probing the tides in interacting galaxy pairs

    NASA Technical Reports Server (NTRS)

    Borne, Kirk D.

    1990-01-01

    Detailed spectroscopic and imaging observations of colliding elliptical galaxies revealed unmistakable diagnostic signatures of the tidal interactions. It is possible to compare both the distorted luminosity distributions and the disturbed internal rotation profiles with numerical simulations in order to model the strength of the tidal gravitational field acting within a given pair of galaxies. Using the best-fit numerical model, one can then measure directly the mass of a specific interacting binary system. This technique applies to individual pairs and therefore complements the classical methods of measuring the masses of galaxy pairs in well-defined statistical samples. The 'personalized' modeling of galaxy pairs also permits the derivation of each binary's orbit, spatial orientation, and interaction timescale. Similarly, one can probe the tides in less-detailed observations of disturbed galaxies in order to estimate some of the physical parameters for larger samples of interacting galaxy pairs. These parameters are useful inputs to the more universal problems of (1) the galaxy merger rate, (2) the strength and duration of the driving forces behind tidally stimulated phenomena (e.g., starbursts and maybe quasi steller objects), and (3) the identification of long-lived signatures of interaction/merger events.

  9. Gear Tooth Root Stresses of a Very Heavily Loaded Gear Pair-Case Study: Orbiter Body Flap Actuator Pinion and Ring Gear

    NASA Technical Reports Server (NTRS)

    Krantz, Timothy L.; Handschuh, Robert F.

    2015-01-01

    The space shuttle orbiter's body flap actuator gearing was assessed as a case study of the stresses for very heavily loaded external-internal gear pairs (meshing pinion and ring gear). For many applications, using the high point of single tooth contact (HPSTC) to locate the position of the tooth force is adequate for assessing the maximum tooth root stress condition. But for aerospace gearing such an approach may be inadequate for assessing the stress condition while also simultaneously minimizing mass. In this work specialized contact analyses and finite element methods were used to study gear tooth stresses of body flap actuator gears. The analytical solutions considered the elastic deformations as an inherent part of the solutions. The ratio for the maximum tooth stresses using the HPSTC approach solutions relative to the contact analysis and finite element solutions were 1.40 for the ring gear and 1.28 for the pinion gear.

  10. Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors

    NASA Astrophysics Data System (ADS)

    Fales, B. Scott; Shu, Yinan; Levine, Benjamin G.; Hohenstein, Edward G.

    2017-09-01

    A new complete active space configuration interaction (CASCI) method was recently introduced that uses state-averaged natural orbitals from the configuration interaction singles method (configuration interaction singles natural orbital CASCI, CISNO-CASCI). This method has been shown to perform as well or better than state-averaged complete active space self-consistent field for a variety of systems. However, further development and testing of this method have been limited by the lack of available analytic first derivatives of the CISNO-CASCI energy as well as the derivative coupling between electronic states. In the present work, we present a Lagrangian-based formulation of these derivatives as well as a highly efficient implementation of the resulting equations accelerated with graphical processing units. We demonstrate that the CISNO-CASCI method is practical for dynamical simulations of photochemical processes in molecular systems containing hundreds of atoms.

  11. Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors.

    PubMed

    Fales, B Scott; Shu, Yinan; Levine, Benjamin G; Hohenstein, Edward G

    2017-09-07

    A new complete active space configuration interaction (CASCI) method was recently introduced that uses state-averaged natural orbitals from the configuration interaction singles method (configuration interaction singles natural orbital CASCI, CISNO-CASCI). This method has been shown to perform as well or better than state-averaged complete active space self-consistent field for a variety of systems. However, further development and testing of this method have been limited by the lack of available analytic first derivatives of the CISNO-CASCI energy as well as the derivative coupling between electronic states. In the present work, we present a Lagrangian-based formulation of these derivatives as well as a highly efficient implementation of the resulting equations accelerated with graphical processing units. We demonstrate that the CISNO-CASCI method is practical for dynamical simulations of photochemical processes in molecular systems containing hundreds of atoms.

  12. Meteoroids and Orbital Debris: Effects on Spacecraft

    NASA Technical Reports Server (NTRS)

    Belk, Cynthia A.; Robinson, Jennifer H.; Alexander, Margaret B.; Cooke, William J.; Pavelitz, Steven D.

    1997-01-01

    The natural space environment is characterized by many complex and subtle phenomena hostile to spacecraft. The effects of these phenomena impact spacecraft design, development, and operations. Space systems become increasingly susceptible to the space environment as use of composite materials and smaller, faster electronics increases. This trend makes an understanding of the natural space environment essential to accomplish overall mission objectives, especially in the current climate of better/cheaper/faster. Meteoroids are naturally occurring phenomena in the natural space environment. Orbital debris is manmade space litter accumulated in Earth orbit from the exploration of space. Descriptions are presented of orbital debris source, distribution, size, lifetime, and mitigation measures. This primer is one in a series of NASA Reference Publications currently being developed by the Electromagnetics and Aerospace Environments Branch, Systems Analysis and Integration Laboratory, Marshall Space Flight Center, National Aeronautics and Space Administration.

  13. New orbits of wide visual double stars

    NASA Astrophysics Data System (ADS)

    Kiyaeva, O. V.; Romanenko, L. G.; Zhuchkov, R. Ya.

    2017-05-01

    Based on photographic and CCD observations with the Pulkovo 26-inch refractor, radial velocity measurements with the 1.5-m RTT-150 telescope (TUBITAK National Observatory, Turkey), and highly accurate observations published in the WDS catalog, we have obtained the orbits of ten wide visual double stars by the apparent motion parameter method. The orientation of the orbits in the Galactic coordinate system has been determined. For the outer pair of the multiple star HIP 12780 we have calculated a family of orbits with a minimum period P = 4634 yr. Two equivalent solutions with the same period have been obtained for the stars HIP 50 ( P = 949 yr) and HIP 66195 ( P = 3237 yr). We have unambiguously determined the orbits of six stars: HIP 12777 ( P = 3327 yr), HIP 15058 ( P = 420 yr), HIP 33287 ( P = 1090 yr), HIP 48429 ( P = 1066 yr), HIP 69751 ( P = 957 yr), and HIP 73846 ( P = 1348 yr). The orbit of HIP 55068 is orientated perpendicularly to the plane of the sky, P >1000 yr. The star HIP 48429 is suspected to have an invisible companion.

  14. Geographically correlated orbit error

    NASA Technical Reports Server (NTRS)

    Rosborough, G. W.

    1989-01-01

    The dominant error source in estimating the orbital position of a satellite from ground based tracking data is the modeling of the Earth's gravity field. The resulting orbit error due to gravity field model errors are predominantly long wavelength in nature. This results in an orbit error signature that is strongly correlated over distances on the size of ocean basins. Anderle and Hoskin (1977) have shown that the orbit error along a given ground track also is correlated to some degree with the orbit error along adjacent ground tracks. This cross track correlation is verified here and is found to be significant out to nearly 1000 kilometers in the case of TOPEX/POSEIDON when using the GEM-T1 gravity model. Finally, it was determined that even the orbit error at points where ascending and descending ground traces cross is somewhat correlated. The implication of these various correlations is that the orbit error due to gravity error is geographically correlated. Such correlations have direct implications when using altimetry to recover oceanographic signals.

  15. Dynamical evolution of comet pairs

    NASA Astrophysics Data System (ADS)

    Sosa, Andrea; Fernández, Julio A.

    2016-10-01

    Some Jupiter family comets in near-Earth orbits (thereafter NEJFCs) show a remarkable similarity in their present orbits, like for instance 169P/NEAT and P/2003 T12 (SOHO), or 252P/LINEAR and P/2016 BA14 (PANSTARRS). By means of numerical integrations we studied the dynamical evolution of these objects. In particular, for each pair of presumably related objects, we are interested in assessing the stability of the orbital parameters for several thousand years, and to find a minimum of their relative spatial distance, coincident with a low value of their relative velocity. For those cases for which we find a well defined minimum of their relative orbital separation, we are trying to reproduce the actual orbit of the hypothetical fragment by modeling a fragmentation of the parent body. Some model parameters are the relative ejection velocity (a few m/s), the orbital point at which the fragmentation could have happened (e.g. perihelion), and the elapsed time since fragmentation. In addition, some possible fragmentation mechanisms, like thermal stress, rotational instability, or collisions, could be explored. According to Fernández J.A and Sosa A. 2015 (Planetary and Space Science 118,pp.14-24), some NEJFCs might come from the outer asteroid belt, and then they would have a more consolidated structure and a higher mineral content than that of comets coming from the trans-Neptunian belt or the Oort cloud. Therefore, such objects would have a much longer physical lifetime in the near-Earth region, and could become potential candidates to produce visible meteor showers (as for example 169P/NEAT which has been identified as the parent body of the alpha-Capricornid meteoroid stream, according to Jenniskens, P., Vaubaillon, J., 2010 (Astron. J. 139), and Kasuga, T., Balam, D.D., Wiegert, P.A., 2010 (Astron. J. 139).

  16. A Jupiter Orbiter mother/daughter spacecraft concept

    NASA Technical Reports Server (NTRS)

    Duxbury, J. H.

    1975-01-01

    The feasibility of a tandem launch of a mother/daughter spacecraft pair with a single launch vehicle for a 1981 Mariner Jupiter Orbiter mission is described. The mother is a close derivative of the three-axis stabilized Mariner Jupiter Saturn 1977 spacecraft with the addition of a Viking-type propulsion module for orbit capture; it concentrates on the planetology and satellite science objectives. The daughter is a small, simple spin-stabilized spacecraft taking advantage of the mother's transit and delivery capabilities; it obtains in-situ measurements of the surrounding planetary environment. A conceptual design of the daughter spacecraft is presented.

  17. Pediatric Orbital Fractures

    PubMed Central

    Oppenheimer, Adam J.; Monson, Laura A.; Buchman, Steven R.

    2013-01-01

    It is wise to recall the dictum “children are not small adults” when managing pediatric orbital fractures. In a child, the craniofacial skeleton undergoes significant changes in size, shape, and proportion as it grows into maturity. Accordingly, the craniomaxillofacial surgeon must select an appropriate treatment strategy that considers both the nature of the injury and the child's stage of growth. The following review will discuss the management of pediatric orbital fractures, with an emphasis on clinically oriented anatomy and development. PMID:24436730

  18. Stable Orbits in the Didymos Binary Asteroid System - Useful Platforms for Exploration

    NASA Astrophysics Data System (ADS)

    Damme, Friedrich; Hussmann, Hauke; Wickhusen, Kai; Enrico, Mai; Oberst, Jürgen

    2016-04-01

    We have analyzed particle motion in binary asteroid systems to search for stable orbits. In particular, we studied the motion of particles near the asteroid 1996 GT (Didymos), proposed as a target for the AIDA mission. The combined gravity fields of the odd-shaped rotating objects moving about each other are complex. In addition, orbiting spacecraft or dust particles are affected by radiation pressure, possibly exceeding the faint gravitational forces. For the numerical integrations, we adopt parameters for size, shape, and rotation from telescopic observations. To simulate the effect of radiation pressure during a spacecraft mission, we apply a spacecraft wing-box shape model. Integrations were carried out beginning in near-circular orbits over 11 days, during which the motion of the particles were examined. Most orbits are unstable with particles escaping quickly or colliding with the asteroid bodies. However, with carefully chosen initial positions, we found stable motion (in the orbiting plane of the secondary) associated with the Lagrangian points (L4 and L5), in addition to horseshoe orbits, where particles move from one of the Lagrangian point to the other. Finally, we examined orbits in 1:2 resonances with the motion of the orbital period of the secondary. Stable conditions depend strongly on season caused by the inclination of the mutual orbit plane with respect to Didymos solar orbit. At larger distance from the asteroid pair, we find the well-known terminator orbits where gravitational attraction is balanced against radiation pressure. Stable orbits and long motion arcs are useful for long tracking runs by radio or Laser instruments and are well-suited for modelling of the ephemerides of the asteroid pair and gravity field mapping. Furthermore, these orbits may be useful as observing posts or as platforms for approach. These orbits may also represent traps for dust particles, an opportunity for dust collection - or possibly a hazard to spacecraft

  19. Report on orbital debris

    NASA Technical Reports Server (NTRS)

    1989-01-01

    The success of space endeavors depends upon a space environment sufficiently free of debris to enable the safe and dependable operation of spacecraft. An environment overly cluttered with debris would threaten the ability to utilize space for a wide variety of scientific, technological, military, and commercial purposes. Man made space debris (orbital debris) differs from natural meteoroids because it remains in earth orbit during its lifetime and is not transient through the space around the Earth. The orbital debris environment is considered. The space environment is described along with sources of orbital debris. The current national space policy is examined, along with ways to minimize debris generation and ways to survive the debris environment. International efforts, legal issues and commercial regulations are also examined.

  20. A simple method to design non-collision relative orbits for close spacecraft formation flying

    NASA Astrophysics Data System (ADS)

    Jiang, Wei; Li, JunFeng; Jiang, FangHua; Bernelli-Zazzera, Franco

    2018-05-01

    A set of linearized relative motion equations of spacecraft flying on unperturbed elliptical orbits are specialized for particular cases, where the leader orbit is circular or equatorial. Based on these extended equations, we are able to analyze the relative motion regulation between a pair of spacecraft flying on arbitrary unperturbed orbits with the same semi-major axis in close formation. Given the initial orbital elements of the leader, this paper presents a simple way to design initial relative orbital elements of close spacecraft with the same semi-major axis, thus preventing collision under non-perturbed conditions. Considering the mean influence of J 2 perturbation, namely secular J 2 perturbation, we derive the mean derivatives of orbital element differences, and then expand them to first order. Thus the first order expansion of orbital element differences can be added to the relative motion equations for further analysis. For a pair of spacecraft that will never collide under non-perturbed situations, we present a simple method to determine whether a collision will occur when J 2 perturbation is considered. Examples are given to prove the validity of the extended relative motion equations and to illustrate how the methods presented can be used. The simple method for designing initial relative orbital elements proposed here could be helpful to the preliminary design of the relative orbital elements between spacecraft in a close formation, when collision avoidance is necessary.

  1. Configuration interaction singles natural orbitals: An orbital basis for an efficient and size intensive multireference description of electronic excited states

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shu, Yinan; Levine, Benjamin G., E-mail: levine@chemistry.msu.edu; Hohenstein, Edward G.

    2015-01-14

    Multireference quantum chemical methods, such as the complete active space self-consistent field (CASSCF) method, have long been the state of the art for computing regions of potential energy surfaces (PESs) where complex, multiconfigurational wavefunctions are required, such as near conical intersections. Herein, we present a computationally efficient alternative to the widely used CASSCF method based on a complete active space configuration interaction (CASCI) expansion built from the state-averaged natural orbitals of configuration interaction singles calculations (CISNOs). This CISNO-CASCI approach is shown to predict vertical excitation energies of molecules with closed-shell ground states similar to those predicted by state averaged (SA)-CASSCFmore » in many cases and to provide an excellent reference for a perturbative treatment of dynamic electron correlation. Absolute energies computed at the CISNO-CASCI level are found to be variationally superior, on average, to other CASCI methods. Unlike SA-CASSCF, CISNO-CASCI provides vertical excitation energies which are both size intensive and size consistent, thus suggesting that CISNO-CASCI would be preferable to SA-CASSCF for the study of systems with multiple excitable centers. The fact that SA-CASSCF and some other CASCI methods do not provide a size intensive/consistent description of excited states is attributed to changes in the orbitals that occur upon introduction of non-interacting subsystems. Finally, CISNO-CASCI is found to provide a suitable description of the PES surrounding a biradicaloid conical intersection in ethylene.« less

  2. The nature of the progenitor of the M31 north-western stream: globular clusters as milestones of its orbit

    NASA Astrophysics Data System (ADS)

    Kirihara, T.; Miki, Y.; Mori, M.

    2017-08-01

    We examine the nature, possible orbits and physical properties of the progenitor of the north-western stellar stream (NWS) in the halo of the Andromeda galaxy (M31). The progenitor is assumed to be an accreting dwarf galaxy with globular clusters (GCs). It is, in general, difficult to determine the progenitor's orbit precisely because of many necessary parameters. Recently, Veljanoski et al. reported five GCs whose positions and radial velocities suggest an association with the stream. We use these data to constrain the orbital motions of the progenitor using test-particle simulations. Our simulations split the orbit solutions into two branches according to whether the stream ends up in the foreground or in the background of M31. Upcoming observations that will determine the distance to the NWS will be able to reject one of the two branches. In either case, the solutions require that the pericentric radius of any possible orbit be over 2 kpc. We estimate the efficiency of the tidal disruption and confirm the consistency with the assumption for the progenitor being a dwarf galaxy. The progenitor requires the mass ≳ 2 × 106 M⊙ and half-light radius ≳ 30 pc. In addition, N-body simulations successfully reproduce the basic observed features of the NWS and the GCs' line-of-sight velocities.

  3. Exploring biorthonormal transformations of pair-correlation functions in atomic structure variational calculations

    NASA Astrophysics Data System (ADS)

    Verdebout, S.; Jönsson, P.; Gaigalas, G.; Godefroid, M.; Froese Fischer, C.

    2010-04-01

    Multiconfiguration expansions frequently target valence correlation and correlation between valence electrons and the outermost core electrons. Correlation within the core is often neglected. A large orbital basis is needed to saturate both the valence and core-valence correlation effects. This in turn leads to huge numbers of configuration state functions (CSFs), many of which are unimportant. To avoid the problems inherent to the use of a single common orthonormal orbital basis for all correlation effects in the multiconfiguration Hartree-Fock (MCHF) method, we propose to optimize independent MCHF pair-correlation functions (PCFs), bringing their own orthonormal one-electron basis. Each PCF is generated by allowing single- and double-excitations from a multireference (MR) function. This computational scheme has the advantage of using targeted and optimally localized orbital sets for each PCF. These pair-correlation functions are coupled together and with each component of the MR space through a low dimension generalized eigenvalue problem. Nonorthogonal orbital sets being involved, the interaction and overlap matrices are built using biorthonormal transformation of the coupled basis sets followed by a counter-transformation of the PCF expansions. Applied to the ground state of beryllium, the new method gives total energies that are lower than the ones from traditional complete active space (CAS)-MCHF calculations using large orbital active sets. It is fair to say that we now have the possibility to account for, in a balanced way, correlation deep down in the atomic core in variational calculations.

  4. Vibrational study and Natural Bond Orbital analysis of serotonin in monomer and dimer states by density functional theory

    NASA Astrophysics Data System (ADS)

    Borah, Mukunda Madhab; Devi, Th. Gomti

    2018-06-01

    The vibrational spectral analysis of Serotonin and its dimer were carried out using the Fourier Transform Infrared (FTIR) and Raman techniques. The equilibrium geometrical parameters, harmonic vibrational wavenumbers, Frontier orbitals, Mulliken atomic charges, Natural Bond orbitals, first order hyperpolarizability and some optimized energy parameters were computed by density functional theory with 6-31G(d,p) basis set. The detailed analysis of the vibrational spectra have been carried out by computing Potential Energy Distribution (PED, %) with the help of Vibrational Energy Distribution Analysis (VEDA) program. The second order delocalization energies E(2) confirms the occurrence of intramolecular Charge Transfer (ICT) within the molecule. The computed wavenumbers of Serotonin monomer and dimer were found in good agreement with the experimental Raman and IR values.

  5. Orbital nature of electronic states and elementary acts of their deactivation in a homologous series of phenylmethane molecules

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pak, M.A.; Shigorin, D.N.; Konoplev, G.G.

    1986-11-01

    The aim of this work is to establish the mechanisms of the elementary acts of photophysical and photochemical processes in an homologous series of phenylmethane molecules Ph/sub n/C-H/sub m-n/, where m = 4, n = 1,...,4, and pH is a phenyl radical. The molecules that form the homologous series belong to the same orbital class (in this case sigma..pi..) and the same spectral-luminescence systematization group (SLG). In the studied series of molecules, as a result of the change of the number of the (Ph) and (C-H) systems, an evolution of the orbital nature of the states occurs (in the givenmore » orbital class) on insignificant change of their relative position. As a result of this a considerable redistribution of the relaxation channels of the electron-excitation energy and the rate constants of the radiation and radiationless processes takes place. To establish the character of these changes they performed experimental and theoretical studies of the mentioned series of molecules.« less

  6. Speckle Interferometry at Mount Wilson Observatory: Observations Obtained in 2006-2007 and 35 New Orbits

    NASA Technical Reports Server (NTRS)

    Hartkopf, William I.; Mason, Brian D.

    2009-01-01

    Results are presented for 607 speckle interferometric observations of double stars, as well as 222 measures of single stars or unresolved pairs. All data were obtained in 2006 and 2007 at the Mount Wilson Observatory, using the 2.5 m Hooker telescope. Separations range from 0.06 to 6.31, with a median of 0.34. These three observing runs concentrated on binaries in need of confirmation (mainly Hipparcos and Tycho pairs), as well as systems in need of improved orbital elements. New orbital solutions have been determined for 35 systems as a result.

  7. Close up view of the pair of Rudder Pedals in ...

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

    Close up view of the pair of Rudder Pedals in the Commander's Satiation on the Flight Deck of the Orbiter Discovery. The rudder pedals command orbiter acceleration in yaw by positioning the rudder during atmospheric flight. However, because the flight control software automatically performs turn coordination during banking maneuvers, the rudder pedals are not operationally used during glided flight. It is not until after touchdown that the crew uses them for nose wheel steering during rollout. Depressing the upper portion of the rudder pedals provides braking. Differential braking may also be used for directional control during rollout. This view was take at Johnson Space Center. - Space Transportation System, Orbiter Discovery (OV-103), Lyndon B. Johnson Space Center, 2101 NASA Parkway, Houston, Harris County, TX

  8. The Energy of Substituted Ethanes. Asymmetry Orbitals

    PubMed Central

    Salem, Lionel; Hoffmann, Roald; Otto, Peter

    1973-01-01

    The leading terms in the energy of a general substituted ethane are derived in explicit form as a function of the torsional angle θ, the substituent electronegativities, and their mutual overlaps. The energy is found to be the sum of all four overlaps between pairs of asymmetry orbitals, and satisfies the requisite symmetry properties. PMID:16592060

  9. Orbital and Landing Operations at Near-Earth

    NASA Technical Reports Server (NTRS)

    Scheeres, D. J.

    1995-01-01

    Orbital and landing operations about near-Earth asteroids are different than classical orbital operations about large bodies. The major differences lie with the small mass of the asteroid, the lower orbital velocities, the larger Solar tide and radiation pressure perturbations, the irregular shape of the asteroid and the potential for non-uniform rotation of the asteroid. These differences change the nature of orbits about an asteroid to where it is often common to find trajectories that evolve from stable, near-circular orbits to crashing or escaping orbits in a matter of days. The understanding and control of such orbits is important if a human or robotic presence at asteroids is to be commonplace in the future.

  10. A Cryogenic Propellant Production Depot for Low Earth Orbit

    NASA Technical Reports Server (NTRS)

    Potter, Seth D.; Henley, Mark; Guitierrez, Sonia; Fikes, John; Carrington, Connie; Smitherman, David; Gerry, Mark; Sutherlin, Steve; Beason, Phil; Howell, Joe (Technical Monitor)

    2001-01-01

    The cost of access to space beyond low Earth orbit can be lowered if vehicles can refuel in orbit. The power requirements for a propellant depot that electrolyzes water and stores cryogenic oxygen and hydrogen can be met using technology developed for space solar power. A propellant depot is described that will be deployed in a 400 km circular equatorial orbit, receive tanks of water launched into a lower orbit from Earth by gun launch or reusable launch vehicle, convert the water to liquid hydrogen and oxygen, and store Lip to 500 metric tonnes of cryogenic propellants. The propellant stored in the depot can support transportation from low Earth orbit to geostationary Earth orbit, the Moon, LaGrange points, Mars, etc. The tanks are configured in an inline gravity-gradient configuration to minimize drag and settle the propellant. Temperatures can be maintained by body-mounted radiators; these will also provide some shielding against orbital debris. Power is supplied by a pair of solar arrays mounted perpendicular to the orbital plane, which rotate once per orbit to track the Sun. In the longer term, cryogenic propellant production technology can be applied to a larger LEO depot, as well as to the use of lunar water resources at a similar depot elsewhere.

  11. Multiply Reduced Oligofluorenes: Their Nature and Pairing with THF-Solvated Sodium Ions

    DOE PAGES

    Wu, Qin; Zaikowski, Lori; Kaur, Parmeet; ...

    2016-07-01

    Conjugated oligofluorenes are chemically reduced up to five charges in tetrahydrofuran solvent and confirmed with clear spectroscopic evidence. Stimulated by these experimental results, we have conducted a comprehensive computational study of the electronic structure and the solvation structure of representative oligofluorene anions with a focus on the pairing between sodium ions and these multianions. In addition, using density functional theory (DFT) methods and a solvation model of both explicit solvent molecules and implicit polarizable continuum, we first elucidate the structure of tightly solvated free sodium ions, and then explore the pairing of sodium ions either in contact with reduced oligofluorenesmore » or as solvent-separated ion pairs. Computed time-dependent-DFT absorption spectra are compared with experiments to assign the dominant ion pairing structure for each multianion. Computed ion pair binding energies further support our assignment. Lastly, the availability of different length and reducing level of oligofluorenes enables us to investigate the effects of total charge and charge density on the binding with sodium ions, and our results suggest both factors play important roles in ion pairing for small molecules. However, as the oligofluorene size grows, its charge density determines the binding strength with the sodium ion.« less

  12. Dancing to CHANGA: a self-consistent prediction for close SMBH pair formation time-scales following galaxy mergers

    NASA Astrophysics Data System (ADS)

    Tremmel, M.; Governato, F.; Volonteri, M.; Quinn, T. R.; Pontzen, A.

    2018-04-01

    We present the first self-consistent prediction for the distribution of formation time-scales for close supermassive black hole (SMBH) pairs following galaxy mergers. Using ROMULUS25, the first large-scale cosmological simulation to accurately track the orbital evolution of SMBHs within their host galaxies down to sub-kpc scales, we predict an average formation rate density of close SMBH pairs of 0.013 cMpc-3 Gyr-1. We find that it is relatively rare for galaxy mergers to result in the formation of close SMBH pairs with sub-kpc separation and those that do form are often the result of Gyr of orbital evolution following the galaxy merger. The likelihood and time-scale to form a close SMBH pair depends strongly on the mass ratio of the merging galaxies, as well as the presence of dense stellar cores. Low stellar mass ratio mergers with galaxies that lack a dense stellar core are more likely to become tidally disrupted and deposit their SMBH at large radii without any stellar core to aid in their orbital decay, resulting in a population of long-lived `wandering' SMBHs. Conversely, SMBHs in galaxies that remain embedded within a stellar core form close pairs in much shorter time-scales on average. This time-scale is a crucial, though often ignored or very simplified, ingredient to models predicting SMBH mergers rates and the connection between SMBH and star formation activity.

  13. Subdecoherence time generation and detection of orbital entanglement in quantum dots.

    PubMed

    Brange, F; Malkoc, O; Samuelsson, P

    2015-05-01

    Recent experiments have demonstrated subdecoherence time control of individual single-electron orbital qubits. Here we propose a quantum-dot-based scheme for generation and detection of pairs of orbitally entangled electrons on a time scale much shorter than the decoherence time. The electrons are entangled, via two-particle interference, and transferred to the detectors during a single cotunneling event, making the scheme insensitive to charge noise. For sufficiently long detector dot lifetimes, cross-correlation detection of the dot charges can be performed with real-time counting techniques, providing for an unambiguous short-time Bell inequality test of orbital entanglement.

  14. Orbits for eight Hipparcos double stars

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cvetković, Z.; Pavlović, R.; Ninković, S., E-mail: zcvetkovic@aob.bg.ac.rs

    In this paper, we analyze new orbital elements and the quantities that follow from them for eight binaries: WDS 00101+3825 = HDS 23Da,Db, WDS 00321–1218 = HDS 71, WDS 04287+2613 = HDS 576, WDS 04389–1207 = HDS 599, WDS 16206+4535 = HDS 2309, WDS 17155+1052 = HDS 2440, WDS 22161–0705 = HDS 3158, and WDS 23167+3441 = HDS 3315. For seven of them, the orbital elements are calculated for the first time. Binaries, denoted as HDS, were discovered during the Hipparcos mission, and their first observational epoch is 1991.25, the same as the mean epoch of the Hipparcos catalog. Wemore » found all other measurements of these binaries in databases. They were obtained in the last 15 yr using the speckle interferometric technique. All studied pairs are close, and all measured separations are less than 0.''4. The resulting orbital periods fall within 26 and 80 yr. In addition to the orbital elements, we also give (O – C) residuals in θ and ρ, masses, dynamical parallaxes, absolute magnitudes, spectral types, and ephemerides for the next 5 yr.« less

  15. Controlled finite momentum pairing and spatially varying order parameter in proximitized HgTe quantum wells

    NASA Astrophysics Data System (ADS)

    Hart, Sean; Ren, Hechen; Kosowsky, Michael; Ben-Shach, Gilad; Leubner, Philipp; Bruene, Christoph; Buhmann, Hartmut; Molenkamp, Laurens; Halperin, Bertrand; Yacoby, Amir

    Conventional s-wave superconductivity arises from singlet pairing of electrons with opposite Fermi momenta, forming Cooper pairs with zero net momentum. Recent studies have focused on coupling s-wave superconductors to systems with an unusual configuration of electronic spin and momentum at the Fermi surface, where the nature of the paired state can be modified and the system may even undergo a topological phase transition. Here we present measurements on Josephson junctions based on HgTe quantum wells coupled to aluminum or niobium superconductors, and subject to a magnetic field in the plane of the quantum well. We observe that the in-plane magnetic field modulates the Fraunhofer interference pattern, and that this modulation depends both on electron density and on the direction of the in-plane field with respect to the junction. However, the orientation of the junction with respect to the underlying crystal lattice does not impact the measurements. These findings suggest that spin-orbit coupling plays a role in the observed behavior, and that measurements of Josephson junctions in the presence of an in-plane field can elucidate the Fermi surface properties of the weak link material. NSF DMR-1206016; STC Center for Integrated Quantum Materials under NSF Grant No. DMR-1231319; NSF GRFP under Grant DGE1144152, Microsoft Corporation Project Q.

  16. Small Orbital Stereo Tracking Camera Technology Development

    NASA Technical Reports Server (NTRS)

    Bryan, Tom; MacLeod, Todd; Gagliano, Larry

    2017-01-01

    Any exploration vehicle assembled or Spacecraft placed in LEO or GTO must pass through this debris cloud and survive. Large cross section, low thrust vehicles will spend more time spiraling out through the cloud and will suffer more impacts.Better knowledge of small debris will improve survival odds. Current estimated Density of debris at various orbital attitudes with notation of recent collisions and resulting spikes. Orbital Debris Tracking and Characterization has now been added to NASA Office of Chief Technologists Technology Development Roadmap in Technology Area 5 (TA5.7)[Orbital Debris Tracking and Characterization] and is a technical gap in the current National Space Situational Awareness necessary to safeguard orbital assets and crews due to the risk of Orbital Debris damage to ISS Exploration vehicles. The Problem: Traditional orbital trackers looking for small, dim orbital derelicts and debris typically will stare at the stars and let any reflected light off the debris integrate in the imager for seconds, thus creating a streak across the image. The Solution: The Small Tracker will see Stars and other celestial objects rise through its Field of View (FOV) at the rotational rate of its orbit, but the glint off of orbital objects will move through the FOV at different rates and directions. Debris on a head-on collision course (or close) will stay in the FOV at 14 Km per sec. The Small Tracker can track at 60 frames per sec allowing up to 30 fixes before a near-miss pass. A Stereo pair of Small Trackers can provide range data within 5-7 Km for better orbit measurements.

  17. Orbital motions of bubbles in an acoustic field

    NASA Astrophysics Data System (ADS)

    Shirota, Minori; Yamashita, Ko; Inamura, Takao

    2012-09-01

    This experimental study aims to clarify the mechanism of orbital motion of two oscillating bubbles in an acoustic field. Trajectory of the orbital motion on the wall of a spherical levitator was observed using a high-speed video camera. Because of a good repeatability in volume oscillation of bubbles, we were also able to observe the radial motion driven at 24 kHz by stroboscopic like imaging technique. The orbital motions of bubbles raging from 0.13 to 0.18 mm were examined with different forcing amplitude and in different viscous oils. As a result, we found that pairs of bubbles revolve along an elliptic orbit around the center of mass of the bubbles. We also found that the two bubbles perform anti-phase radial oscillation. Although this radial oscillation should result in a repulsive secondary Bjerknes force, the bubbles kept a constant separate distance of about 1 mm, which indicates the existence of centripetal primary Bjerknes force.

  18. The Mars Climate Orbiter at Launch Complex 17A, CCAS

    NASA Technical Reports Server (NTRS)

    1998-01-01

    At Launch Complex 17A, Cape Canaveral Air Station, workers place aside a piece of the canister surrounding the Mars Climate Orbiter. Targeted for liftoff on Dec. 10, 1998, aboard a Boeing Delta II (7425) rocket, the orbiter will be the first spacecraft to be launched in the pair of Mars '98 missions. After its arrival at the red planet, the Mars Climate Orbiter will be used primarily to support its companion Mars Polar Lander spacecraft, scheduled for launch on Jan. 3, 1999. The orbiter will then monitor the Martian atmosphere and image the planet's surface on a daily basis for one Martian year, the equivalent of about two Earth years. The spacecraft will observe the appearance and movement of atmospheric dust and water vapor, and characterize seasonal changes on the planet's surface.

  19. The Mars Climate Orbiter at Launch Complex 17A, CCAS

    NASA Technical Reports Server (NTRS)

    1998-01-01

    At Launch Complex 17A, Cape Canaveral Air Station, workers remove the canister surrounding the Mars Climate Orbiter. Targeted for liftoff on Dec. 10, 1998, aboard a Boeing Delta II (7425) rocket, the orbiter will be the first spacecraft to be launched in the pair of Mars '98 missions. After its arrival at the red planet, the Mars Climate Orbiter will be used primarily to support its companion Mars Polar Lander spacecraft, scheduled for launch on Jan. 3, 1999. The orbiter will then monitor the Martian atmosphere and image the planet's surface on a daily basis for one Martian year, the equivalent of about two Earth years. The spacecraft will observe the appearance and movement of atmospheric dust and water vapor, and characterize seasonal changes on the planet's surface.

  20. Small Orbital Stereo Tracking Camera Technology Development

    NASA Technical Reports Server (NTRS)

    Bryan, Tom; MacLeod, Todd; Gagliano, Larry

    2016-01-01

    On-Orbit Small Debris Tracking and Characterization is a technical gap in the current National Space Situational Awareness necessary to safeguard orbital assets and crew. This poses a major risk of MOD damage to ISS and Exploration vehicles. In 2015 this technology was added to NASA's Office of Chief Technologist roadmap. For missions flying in or assembled in or staging from LEO, the physical threat to vehicle and crew is needed in order to properly design the proper level of MOD impact shielding and proper mission design restrictions. Need to verify debris flux and size population versus ground RADAR tracking. Use of ISS for In-Situ Orbital Debris Tracking development provides attitude, power, data and orbital access without a dedicated spacecraft or restricted operations on-board a host vehicle as a secondary payload. Sensor Applicable to in-situ measuring orbital debris in flux and population in other orbits or on other vehicles. Could enhance safety on and around ISS. Some technologies extensible to monitoring of extraterrestrial debris as well To help accomplish this, new technologies must be developed quickly. The Small Orbital Stereo Tracking Camera is one such up and coming technology. It consists of flying a pair of intensified megapixel telephoto cameras to evaluate Orbital Debris (OD) monitoring in proximity of International Space Station. It will demonstrate on-orbit optical tracking (in situ) of various sized objects versus ground RADAR tracking and small OD models. The cameras are based on Flight Proven Advanced Video Guidance Sensor pixel to spot algorithms (Orbital Express) and military targeting cameras. And by using twin cameras we can provide Stereo images for ranging & mission redundancy. When pointed into the orbital velocity vector (RAM), objects approaching or near the stereo camera set can be differentiated from the stars moving upward in background.

  1. Small Orbital Stereo Tracking Camera Technology Development

    NASA Technical Reports Server (NTRS)

    Bryan, Tom; Macleod, Todd; Gagliano, Larry

    2015-01-01

    On-Orbit Small Debris Tracking and Characterization is a technical gap in the current National Space Situational Awareness necessary to safeguard orbital assets and crew. This poses a major risk of MOD damage to ISS and Exploration vehicles. In 2015 this technology was added to NASA's Office of Chief Technologist roadmap. For missions flying in or assembled in or staging from LEO, the physical threat to vehicle and crew is needed in order to properly design the proper level of MOD impact shielding and proper mission design restrictions. Need to verify debris flux and size population versus ground RADAR tracking. Use of ISS for In-Situ Orbital Debris Tracking development provides attitude, power, data and orbital access without a dedicated spacecraft or restricted operations on-board a host vehicle as a secondary payload. Sensor Applicable to in-situ measuring orbital debris in flux and population in other orbits or on other vehicles. Could enhance safety on and around ISS. Some technologies extensible to monitoring of extraterrestrial debris as well to help accomplish this, new technologies must be developed quickly. The Small Orbital Stereo Tracking Camera is one such up and coming technology. It consists of flying a pair of intensified megapixel telephoto cameras to evaluate Orbital Debris (OD) monitoring in proximity of International Space Station. It will demonstrate on-orbit optical tracking (in situ) of various sized objects versus ground RADAR tracking and small OD models. The cameras are based on Flight Proven Advanced Video Guidance Sensor pixel to spot algorithms (Orbital Express) and military targeting cameras. And by using twin cameras we can provide Stereo images for ranging & mission redundancy. When pointed into the orbital velocity vector (RAM), objects approaching or near the stereo camera set can be differentiated from the stars moving upward in background.

  2. Ecology of dark matter haloes - II. Effects of interactions on the alignment of halo pairs

    NASA Astrophysics Data System (ADS)

    L'Huillier, Benjamin; Park, Changbom; Kim, Juhan

    2017-04-01

    We use the Horizon Run 4 cosmological N-body simulation to study the effects of distant and close interactions on the alignments of the shapes, spins and orbits of targets haloes with their neighbours, and their dependence on the local density environment and neighbour separation. Interacting targets have a significantly lower spin and higher sphericity and oblateness than all targets. Interacting pairs initially have antiparallel spins, but the spins develop parallel alignment as time goes on. Neighbours tend to evolve in the plane of rotation of the target, and in the direction of the major axis of prolate haloes. Moreover, interactions are preferentially radial, while pairs with non-radial orbits are preferentially prograde. The alignment signals are stronger at high mass and for close separations, and independent of the large-scale density. Positive alignment signals are found at redshifts up to 4, and increase with decreasing redshifts. Moreover, the orbits tend to become prograde at low redshift, while no alignment is found at high redshift (z = 4).

  3. Natural motion around the Martian moon Phobos: the dynamical substitutes of the Libration Point Orbits in an elliptic three-body problem with gravity harmonics

    NASA Astrophysics Data System (ADS)

    Zamaro, M.; Biggs, J. D.

    2015-07-01

    The Martian moon Phobos is becoming an appealing destination for future scientific missions. The orbital dynamics around this planetary satellite is particularly complex due to the unique combination of both small mass-ratio and length-scale of the Mars-Phobos couple: the resulting sphere of influence of the moon is very close to its surface, therefore both the classical two-body problem and circular restricted three-body problem (CR3BP) do not provide an accurate approximation to describe the spacecraft's dynamics in the vicinity of Phobos. The aim of this paper is to extend the model of the CR3BP to consider the orbital eccentricity and the highly-inhomogeneous gravity field of Phobos, by incorporating the gravity harmonics series expansion into an elliptic R3BP, named ER3BP-GH. Following this, the dynamical substitutes of the Libration Point Orbits (LPOs) are computed in this more realistic model of the relative dynamics around Phobos, combining methodologies from dynamical systems theory and numerical continuation techniques. Results obtained show that the structure of the periodic and quasi-periodic LPOs differs substantially from the classical case without harmonics. Several potential applications of these natural orbits are presented to enable unique low-cost operations in the proximity of Phobos, such as close-range observation, communication, and passive radiation shielding for human spaceflight. Furthermore, their invariant manifolds are demonstrated to provide high-performance natural landing and take-off pathways to and from Phobos' surface, and transfers from and to Martian orbits. These orbits could be exploited in upcoming and future space missions targeting the exploration of this Martian moon.

  4. Molecular switching behavior in isosteric DNA base pairs.

    PubMed

    Jissy, A K; Konar, Sukanya; Datta, Ayan

    2013-04-15

    The structures and proton-coupled behavior of adenine-thymine (A-T) and a modified base pair containing a thymine isostere, adenine-difluorotoluene (A-F), are studied in different solvents by dispersion-corrected density functional theory. The stability of the canonical Watson-Crick base pair and the mismatched pair in various solvents with low and high dielectric constants is analyzed. It is demonstrated that A-F base pairing is favored in solvents with low dielectric constant. The stabilization and conformational changes induced by protonation are also analyzed for the natural as well as the mismatched base pair. DNA sequences capable of changing their sequence conformation on protonation are used in the construction of pH-based molecular switches. An acidic medium has a profound influence in stabilizing the isostere base pair. Such a large gain in stability on protonation leads to an interesting pH-controlled molecular switch, which can be incorporated in a natural DNA tract. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Unconventional Electron Pairing and Topological Superconductivity in Proximitized HgTe Quantum Wells

    NASA Astrophysics Data System (ADS)

    Ren, Hechen; Hart, Sean; Kosowsky, Michael; Ben-Shach, Gilad; Leubner, Philipp; Brüne, Christoph; Buhmann, Hartmut; Molenkamp, Laurens; Halperin, Bertrand; Yacoby, Amir

    Coupling s-wave superconductors to systems with exotic Fermi surface spin textures has been recently proposed as a way to manipulate the nature of the paired state, in some cases even leading to a topological phase transition. Recently, we studied the behavior of Fraunhofer interference in HgTe quantum well-based Josephson junctions, in the presence of a magnetic field applied in the plane of the quantum well. Here we theoretically analyze our system and compare the predicted behavior to our experimental results. We find that the in-plane magnetic field tunes the momentum of Cooper pairs in the quantum well, directly reflecting the response of the spin-dependent Fermi surfaces. This momentum tuning depends crucially on the type of spin-orbit coupling in the system. In the high electron density regime, the induced superconductivity evolves with electron density in agreement with our model based on the Hamiltonian of Bernevig, Hughes and Zhang. This agreement provides a quantitative value for g/vF, where g is the effective g-factor and vF is the Fermi velocity. Our new understanding of the interplay between spin physics and superconductivity introduces a way to spatially engineer the order parameter from singlet to triplet pairing, and in general allows investigation of electronic spin texture at the Fermi surface of materials. NSF DMR-1206016; STC Center for Integrated Quantum Materials under NSF Grant No. DMR-1231319; NSF GRFP under Grant DGE1144152, Microsoft Corporation Project Q.

  6. Bell pair creation in current of Kondo-correlated dot

    NASA Astrophysics Data System (ADS)

    Sakano, Rui; Oguri, Akira; Nishikawa, Yunori; Abe, Eisuke

    Recently, local-Fermi-liquid properties in non-linear currents and shot noises through the Kondo dot have been investigated both theoretically and experimentally. We suggest a new entangled-electron-pair generator utilizing mechanism of quasiparticle-pair creation which has been observed as enhancement of shot noise in the quantum dot. Using the renormalized perturbation theory for an orbital-degenerate impurity Anderson model and the full counting statistics, we calculate the Clauser-Horne-Shimony-Holt type Bell's correlator for currents through correlated two different channels of a Kondo correlated dot. It is shown that residual exchange-interactions of the local-Fermi-liquid create spin-entangled quasiparticle-pairs in nonlinear current and this results in violation of the Bell's inequality. This work was partially supported by JSPS KAKENHI Grant Numbers JP26220711, JP26400319, JP15K05181 and JP16K17723.

  7. Autonomous space processor for orbital debris

    NASA Technical Reports Server (NTRS)

    Ramohalli, Kumar; Marine, Micky; Colvin, James; Crockett, Richard; Sword, Lee; Putz, Jennifer; Woelfle, Sheri

    1991-01-01

    The development of an Autonomous Space Processor for Orbital Debris (ASPOD) was the goal. The nature of this craft, which will process, in situ, orbital debris using resources available in low Earth orbit (LEO) is explained. The serious problem of orbital debris is briefly described and the nature of the large debris population is outlined. The focus was on the development of a versatile robotic manipulator to augment an existing robotic arm, the incorporation of remote operation of the robotic arms, and the formulation of optimal (time and energy) trajectory planning algorithms for coordinated robotic arms. The mechanical design of the new arm is described in detail. The work envelope is explained showing the flexibility of the new design. Several telemetry communication systems are described which will enable the remote operation of the robotic arms. The trajectory planning algorithms are fully developed for both the time optimal and energy optimal problems. The time optimal problem is solved using phase plane techniques while the energy optimal problem is solved using dynamic programming.

  8. Distant retrograde orbits and the asteroid hazard

    NASA Astrophysics Data System (ADS)

    Perozzi, Ettore; Ceccaroni, Marta; Valsecchi, Giovanni B.; Rossi, Alessandro

    2017-08-01

    Distant Retrograde Orbits (DROs) gained a novel wave of fame in space mission design because of their numerous advantages within the framework of the US plans for bringing a large asteroid sample in the vicinity of the Earth as the next target for human exploration. DROs are stable solutions of the three-body problem that can be used whenever an object, whether of natural or artificial nature, is required to remain in the neighborhood of a celestial body without being gravitationally captured by it. As such, they represent an alternative option to Halo orbits around the collinear Lagrangian points L1 and L2. Also known under other names ( e.g., quasi-satellite orbits, cis-lunar orbits, family- f orbits) these orbital configurations found interesting applications in several mission profiles, like that of a spacecraft orbiting around the small irregularly shaped satellite of Mars Phobos or the large Jovian moon Europa. In this paper a basic explanation of the DRO dynamics is presented in order to clarify some geometrical properties that characterize them. Their accessibility is then discussed from the point of view of mission analysis under different assumptions. Finally, their relevance within the framework of the present asteroid hazard protection programs is shown, stressing the significant increase in warning time they would provide in the prediction of impactors coming from the direction of the Sun.

  9. OrbitMaster: An Online Tool for Investigating Solar System Dynamics and Visualizing Orbital Uncertainties in the Undergraduate Classroom

    NASA Astrophysics Data System (ADS)

    Puckett, Andrew W.; Rector, Travis A.; Baalke, Ron; Ajiki, Osamu

    2016-01-01

    OrbitMaster is a 3-D orbit visualization tool designed for the undergraduate astronomy classroom. It has been adapted from AstroArts' interactive OrbitViewer applet under the GNU General Public License, as part of the Research-Based Science Education for Undergraduates (RBSEU) curriculum. New features allow the user to alter an asteroid's orbital parameters using slider controls, and to monitor its changing position and speed relative to both Sun and Earth. It detects close approaches and collisions with Earth, and calculates revised distances and impact speeds due to Earth's gravitational attraction. It can also display many asteroid orbits at once, with direct application to visualizing the uncertainty in a single asteroid's orbital parameters. When paired with Project Pluto's Find_Orb orbit determination software and a source of asteroid astrometry, this enables monitoring of changes in orbital uncertainties with time and/or additional observational data. See http://facstaff.columbusstate.edu/puckett_andrew/orbitmaster.html.A series of undergraduate labs using the OrbitMaster applet are available as part of the RBSEU curriculum. In the first lab, students gain hands-on experience with the mechanics of asteroid orbits and confirm Kepler's laws of planetary motion. In the second, they study the orbits of Potentially Hazardous Asteroids as they build their own "Killer Asteroids" and investigate the minimum and maximum speed limits that apply to Earth-impacting objects. In the third and fourth labs, they discover the kinetic energy-crater size relationship, engage in their own Crater Scene Investigation (C.S.I.) to estimate impactor size, and understand the regional consequences of impacts. These labs may be used separately, or in support of a further seven-week sequence culminating in an authentic research project in which students submit measurements to the Minor Planet Center to refine a real asteroid's orbit. As with all RBSE projects, the overarching goal is

  10. Determination of the Point-Spread Function for the FERMI Large Area Telescope from On-Orbit Data and Limits on Pair Halos of Active Galactic Nuclei

    DOE PAGES

    Ackermann, M.; Ajello, M.; Allafort, A.; ...

    2013-02-15

    We present the Large Area Telescope (LAT) on the Fermi Gamma-ray Space Telescope is a pair-conversion telescope designed to detect photons with energies from ≈20 MeV to >300 GeV. The pre-launch response functions of the LAT were determined through extensive Monte Carlo simulations and beam tests. The point-spread function (PSF) characterizing the angular distribution of reconstructed photons as a function of energy and geometry in the detector is determined here from two years of on-orbit data by examining the distributions of γ rays from pulsars and active galactic nuclei (AGNs). Above 3 GeV, the PSF is found to be broadermore » than the pre-launch PSF. We checked for dependence of the PSF on the class of γ-ray source and observation epoch and found none. We also investigated several possible spatial models for pair-halo emission around BL Lac AGNs. Finally, we found no evidence for a component with spatial extension larger than the PSF and set upper limits on the amplitude of halo emission in stacked images of low- and high-redshift BL Lac AGNs and the TeV blazars 1ES0229+200 and 1ES0347–121.« less

  11. The Mars Climate Orbiter at Launch Complex 17A, CCAS

    NASA Technical Reports Server (NTRS)

    1998-01-01

    At Launch Complex 17A, Cape Canaveral Air Station, the Mars Climate Orbiter is free of the protective canister that surrounded it during the move to the pad. Targeted for liftoff on Dec. 10, 1998, aboard a Boeing Delta II (7425) rocket, the orbiter will be the first spacecraft to be launched in the pair of Mars '98 missions. After its arrival at the red planet, the Mars Climate Orbiter will be used primarily to support its companion Mars Polar Lander spacecraft, scheduled for launch on Jan. 3, 1999. The orbiter will then monitor the Martian atmosphere and image the planet's surface on a daily basis for one Martian year, the equivalent of about two Earth years. The spacecraft will observe the appearance and movement of atmospheric dust and water vapor, and characterize seasonal changes on the planet's surface.

  12. The Mars Climate Orbiter at Launch Complex 17A, CCAS

    NASA Technical Reports Server (NTRS)

    1998-01-01

    At Launch Complex 17A, Cape Canaveral Air Station, workers get ready to remove the last piece of the canister surrounding the Mars Climate Orbiter. Targeted for liftoff on Dec. 10, 1998, aboard a Boeing Delta II (7425) rocket, the orbiter will be the first spacecraft to be launched in the pair of Mars '98 missions. After its arrival at the red planet, the Mars Climate Orbiter will be used primarily to support its companion Mars Polar Lander spacecraft, scheduled for launch on Jan. 3, 1999. The orbiter will then monitor the Martian atmosphere and image the planet's surface on a daily basis for one Martian year, the equivalent of about two Earth years. The spacecraft will observe the appearance and movement of atmospheric dust and water vapor, and characterize seasonal changes on the planet's surface.

  13. Novel Detection of Optical Orbital Angular Momentum

    DTIC Science & Technology

    2014-11-16

    spin-orbit coupling at single- photon entanglement and quantum transfer as well as their combinations. Some studies exist on hybrid entanglement . 3.1... Entanglement of the orbital angular momentum states of photons ,” Nature, 412, 313-316 (2001). [9]. D. J. Sanchez and D. W. Oesch, “Orbital angular... photon with no change in its OAM states among traveling inside the atmosphere. Both studies assume only a phase distortion causes by the atmospheric

  14. An ab initio MO study of heavy atom effects on the zero-field splitting tensors of high-spin nitrenes: how the spin-orbit contributions are affected.

    PubMed

    Sugisaki, Kenji; Toyota, Kazuo; Sato, Kazunobu; Shiomi, Daisuke; Kitagawa, Masahiro; Takui, Takeji

    2014-05-21

    The CASSCF and the hybrid CASSCF-MRMP2 methods are applied to the calculations of spin-spin and spin-orbit contributions to the zero-field splitting tensors (D tensors) of the halogen-substituted spin-septet 2,4,6-trinitrenopyridines, focusing on the heavy atom effects on the spin-orbit term of the D tensors (D(SO) tensors). The calculations reproduced experimentally determined |D| values within an error of 15%. Halogen substitutions at the 3,5-positions are less influential in the spin-spin dipolar (D(SS)) term of 2,4,6-trinitrenopyridines, although the D(SO) terms are strongly affected by the introduction of heavier halogens. The absolute sign of the D(SO) value (D = D(ZZ) - (D(XX) + D(YY))/2) of 3,5-dibromo derivative 3 is predicted to be negative, which contradicts the Pederson-Khanna (PK) DFT result previously reported. The large negative contributions to the D(SO) value of 3 arise from the excited spin-septet states ascribed mainly to the excitations of in-plane lone pair of bromine atoms → SOMO of π nature. The importance of the excited states involving electron transitions from the lone pair orbital of the halogen atom is also confirmed in the D(SO) tensors of halogen-substituted para-phenylnitrenes. A new scheme based on the orbital region partitioning is proposed for the analysis of the D(SO) tensors as calculated by means of the PK-DFT approach.

  15. Quantum-metric contribution to the pair mass in spin-orbit-coupled Fermi superfluids

    NASA Astrophysics Data System (ADS)

    Iskin, M.

    2018-03-01

    As a measure of the quantum distance between Bloch states in the Hilbert space, the quantum metric was introduced to solid-state physics through the real part of the so-called geometric Fubini-Study tensor, the imaginary part of which corresponds to the Berry curvature measuring the emergent gauge field in momentum space. Here, we first derive the Ginzburg-Landau theory near the critical superfluid transition temperature and then identify and analyze the geometric effects on the effective mass tensor of the Cooper pairs. By showing that the quantum-metric contribution accounts for a sizable fraction of the pair mass in a surprisingly large parameter regime throughout the BCS-Bose-Einstein condensate crossover, we not only reveal the physical origin of its governing role in the superfluid density tensor but also hint at its plausible roles in many other observables.

  16. Statistical deprojection of galaxy pairs

    NASA Astrophysics Data System (ADS)

    Nottale, Laurent; Chamaraux, Pierre

    2018-06-01

    Aims: The purpose of the present paper is to provide methods of statistical analysis of the physical properties of galaxy pairs. We perform this study to apply it later to catalogs of isolated pairs of galaxies, especially two new catalogs we recently constructed that contain ≈1000 and ≈13 000 pairs, respectively. We are particularly interested by the dynamics of those pairs, including the determination of their masses. Methods: We could not compute the dynamical parameters directly since the necessary data are incomplete. Indeed, we only have at our disposal one component of the intervelocity between the members, namely along the line of sight, and two components of their interdistance, i.e., the projection on the sky-plane. Moreover, we know only one point of each galaxy orbit. Hence we need statistical methods to find the probability distribution of 3D interdistances and 3D intervelocities from their projections; we designed those methods under the term deprojection. Results: We proceed in two steps to determine and use the deprojection methods. First we derive the probability distributions expected for the various relevant projected quantities, namely intervelocity vz, interdistance rp, their ratio, and the product rp v_z^2, which is involved in mass determination. In a second step, we propose various methods of deprojection of those parameters based on the previous analysis. We start from a histogram of the projected data and we apply inversion formulae to obtain the deprojected distributions; lastly, we test the methods by numerical simulations, which also allow us to determine the uncertainties involved.

  17. 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.

  18. Coincidental Compositional and Orbital Correspondences Among Some Ordinary Chondrites: No Strong Evidence for Meteoroid Streams

    NASA Astrophysics Data System (ADS)

    Rubin, Alan E.; Matson, Robert D.

    2008-12-01

    Previous attempts to assign ordinary chondrites (OC) to meteoroid streams have been unsuccessful because the orbits of the proposed members had different radiants and, in some cases, the meteorites had significantly different cosmic-ray exposure (CRE) ages. Using more conservative criteria, we have identified four pairs of equilibrated OC (L6 Nejo, Salem; L6 Perpeti, Vouillé; L6 Drake Creek, Forsyth; H5 Okabe, Kerilis) wherein each member of the pair could conceivably have been derived from the same immediate precursor body (IPB). The members of each pair are of the same chondrite group and petrologic type; they have similar CRE ages and fell within 1 calendar day of each other (in different years). Because there is a moderate range in oxidation state (represented by mean olivine Fa) among equilibrated OC in each group, similarities in this intrinsic geochemical property between the members of two of the proposed pairs offer some support for the hypothesis that these rocks were derived from the same IPB. If the pairs are genuine, their precursor bodies were probably meter-size near-Earth asteroids (NEAs) with aphelia within or beyond the Main Asteroid Belt. Fragmentation of such NEAs is most likely to have occurred near aphelia; in principle, the ejecta could have spread somewhat along the NEAs’ orbits and collided with Earth on approximately the same calendar date but in different years. However, literature data show that, although ˜670 meteorites with masses ≥10 kg reach the Earth’s surface each year, only five or six falls (typically in this mass range) are observed and recovered. This suggests that the chances of recovering more than one meteorite from a disrupted meter-size body in Earth-crossing orbit are small. It thus seems likely that the similar properties of the proposed OC pairs are due to coincidence.

  19. Persistent three- and four-atom orbital molecules in the spinel Al V2O4

    NASA Astrophysics Data System (ADS)

    Browne, Alexander J.; Kimber, Simon A. J.; Attfield, J. Paul

    2017-10-01

    Electronic instabilities in transition-metal compounds may lead to ground states containing orbital molecules when direct metal-metal orbital interactions occur. The spinel Al V2O4 was reported to contain V717 + orbital heptamers that emerge below a 700 K charge ordering transition. Our x-ray total scattering analysis of Al V2O4 between 300 and 1100 K reveals a very different picture as the postulated heptamers are found to be pairs of spin-singlet V39 + trimers and V48 + tetramers, and these orbital molecules persist to at least 1100 K in a disordered high-temperature cubic phase.

  20. Signatures Of A Putative Planetary Mass Solar Companion On The Orbital Distribution Of Tno's And Centaurs

    NASA Astrophysics Data System (ADS)

    Gomes, Rodney S.; Soares, J. S.

    2012-05-01

    Gomes et al. 2006 (Icarus 184, 589) show that a planetary mass solar companion (PMSC) can produce orbits in an inner Oort cloud that can account for Sedna's orbit. On the other hand, one should expect that this faraway planet would also produce some peculiar orbital distribution for distant TNO's and Centaurs. A pair of interesting orbits in this respect are those of 2006 SQ372 and 2000 OO67. These objects have very large semimajor axes and perihelion between Uranus and Neptune orbits. It has been claimed that a likely source for 2006 SQ372 is the Oort cloud. Yet a PMSC has an important effect on objects at inner Oort cloud distances, say between 300 AU and 2000 AU, to make their perihelion distances to continually oscillate with a large enough amplitude to account for objects both inside and outside Neptune's orbit. This naturally produces an extra amount of TNO's with semimajor axes between 300 and 2000 AU and perihelion inside Neptune's orbit, like 2006 SQ372 and 2000 OO67. This signature should be found in present observations. To deal with this problem we construct a numerical simulator and apply it to populations of distant TNO's produced by numerical integration of planetesimals and planets according to the Nice model, either including or not a PMSC. With the results from the numerical simulator we compare the model with and without the PMSC with observations. We conclude that a PMSC is compatible with the existence of 2006 SQ372 and 2000 OO67 and, in fact, although not conclusively, we can also claim that the observations of 2006 SQ372 and 2000 OO67, compared to all other scattered objects, would be lucky events if no PMSC exists.

  1. Constellations of Next Generation Gravity Missions: Simulations regarding optimal orbits and mitigation of aliasing errors

    NASA Astrophysics Data System (ADS)

    Hauk, M.; Pail, R.; Gruber, T.; Purkhauser, A.

    2017-12-01

    The CHAMP and GRACE missions have demonstrated the tremendous potential for observing mass changes in the Earth system from space. In order to fulfil future user needs a monitoring of mass distribution and mass transport with higher spatial and temporal resolution is required. This can be achieved by a Bender-type Next Generation Gravity Mission (NGGM) consisting of a constellation of satellite pairs flying in (near-)polar and inclined orbits, respectively. For these satellite pairs the observation concept of the GRACE Follow-on mission with a laser-based low-low satellite-to-satellite tracking (ll-SST) system and more precise accelerometers and state-of-the-art star trackers is adopted. By choosing optimal orbit constellations for these satellite pairs high frequency mass variations will be observable and temporal aliasing errors from under-sampling will not be the limiting factor anymore. As part of the European Space Agency (ESA) study "ADDCON" (ADDitional CONstellation and Scientific Analysis Studies of the Next Generation Gravity Mission) a variety of mission design parameters for such constellations are investigated by full numerical simulations. These simulations aim at investigating the impact of several orbit design choices and at the mitigation of aliasing errors in the gravity field retrieval by co-parametrization for various constellations of Bender-type NGGMs. Choices for orbit design parameters such as altitude profiles during mission lifetime, length of retrieval period, value of sub-cycles and choice of prograde versus retrograde orbits are investigated as well. Results of these simulations are presented and optimal constellations for NGGM's are identified. Finally, a short outlook towards new geophysical applications like a near real time service for hydrology is given.

  2. Operational factors affecting microgravity levels in orbit

    NASA Technical Reports Server (NTRS)

    Olsen, R. E.; Mockovciak, J., Jr.

    1980-01-01

    Microgravity levels desired for proposed materials processing payloads are fundamental considerations in the design of future space platforms. Disturbance sources, such as aerodynamic drag, attitude control torques, crew motion and orbital dynamics, influence the microgravity levels attainable in orbit. The nature of these effects are assessed relative to platform design parameters such as orbital altitude and configuration geometry, and examples are presented for a representative spacecraft configuration. The possible applications of control techniques to provide extremely low acceleration levels are also discussed.

  3. An Orbital Trap Mass Analyzer Using a Hybrid Magnetic-Electric Field: A Simulation Study

    NASA Astrophysics Data System (ADS)

    Xu, Chongsheng; Wu, Fangling; Ding, Li; Ding, Chuan-Fan

    2018-03-01

    An orbital ion trap mass analyzer employing hybrid magnetic-electric field was designed and simulated. The trap has a rotational symmetrical structure and the hybrid trapping field was created in a toroidal space between 12 pairs of sector detection electrodes. Ion injection and ion orbital motion inside the trap were simulated using SIMION 8.1 with a user Lua program, and the required electric and magnetic field were investigated. The image charge signal can be picked up by the 12 pairs of detection electrodes and the mass resolution was evaluated using FFT. The simulated resolving power for the optimized configuration over 79,000 FWHM was obtained at the magnetic induction intensity of 0.5 Tesla in the simulation. [Figure not available: see fulltext.

  4. Periodic orbit-attitude solutions along planar orbits in a perturbed circular restricted three-body problem for the Earth-Moon system

    NASA Astrophysics Data System (ADS)

    Bucci, Lorenzo; Lavagna, Michèle; Guzzetti, Davide; Howell, Kathleen C.

    2018-06-01

    Interest on Large Space Structures (LSS), orbiting in strategic and possibly long-term stable locations, is nowadays increasing in the space community. LSS can serve as strategic outpost to support a variety of manned and unmanned mission, or may carry scientific payloads for astronomical observations. The paper focuses on analysing LSS in the Earth-Moon system, exploring dynamical structures that are available within a multi-body gravitational environment. Coupling between attitude and orbital dynamics is investigated, with particular interest on the gravity gradient torque exerted by the two massive attractors. First, natural periodic orbit-attitude solutions are obtained; a LSS that exploits such solutions would benefit of a naturally periodic body rotation synchronous with the orbital motion, easing the effort of the attitude control system to satisfy pointing requirements. Then, the solar radiation pressure is introduced into the fully coupled dynamical model and its effects investigated, discovering novel periodic attitude solutions. Benefits of periodic behaviours that incorporate solar radiation pressure are discussed, and analysed via the variation of some parameters (e.g reflection/absorption coefficients, position of the centre of pressure). As a final step to refine the current perturbed orbit-attitude model, a structure flexibility is also superimposed to a reference orbit-attitude rigid body motion via a simple, yet effective model. The coupling of structural vibrations and attitude motion is preliminarily explored, and allows identification of possible challenges, that may be faced to position a LSS in a periodic orbit within the Earth-Moon system.

  5. Photon pair source via two coupling single quantum emitters

    NASA Astrophysics Data System (ADS)

    Peng, Yong-Gang; Zheng, Yu-Jun

    2015-10-01

    We study the two coupling two-level single molecules driven by an external field as a photon pair source. The probability of emitting two photons, P2, is employed to describe the photon pair source quality in a short time, and the correlation coefficient RAB is employed to describe the photon pair source quality in a long time limit. The results demonstrate that the coupling single quantum emitters can be considered as a stable photon pair source. Project supported by the National Natural Science Foundation of China (Grand Nos. 91021009, 21073110, and 11374191), the Natural Science Foundation of Shandong Province, China (Grant No. ZR2013AQ020), the Postdoctoral Science Foundation of China (Grant No. 2013M531584), the Doctoral Program of Higher Education of China (Grant Nos. 20130131110005 and 20130131120006), and the Taishan Scholarship Project of Shandong Province, China.

  6. The nature of the lower excited state of the special pair of bacterial photosynthetic reaction center of Rhodobacter Sphaeroides and the dynamics of primary charge separation

    NASA Astrophysics Data System (ADS)

    Ivashin, N. V.; Shchupak, E. E.

    2016-08-01

    Quantum-chemical calculations of the structure in the ground and lower singlet excited states and the vibrations (in the ground state) of special pair P of photosynthetic reaction center of purple bacteria (RCPb) Rhodobacter Sphaeroides, consisting of two bacteriochlorophyll molecules PA and PB, have been carried out. It is shown that excitation of the special pair is followed by fast relaxation dynamics, accompanied by the transformation of the initial P* state into the P A δ+ P B δ- state (δ ~ 0.5) with charge separation. This behavior is due to the presence of several nonplanar vibrations with participation of the acetyl group of macrocycle PB in the nuclear wave packet on the potential surface of the P* state; these vibrations facilitate destabilization of the lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) of the macrocycle PA and formation of the P A δ+ P B δ- state. The structural transformations in the P* state are due to its linking character in the contact region of the acetyl group-containing pyrrole rings of PA and PB. The transition from the P* state to specifically the P A δ+ P B δ- state is related to the fact that the acetyl group PA is involved in the intermolecular hydrogen bond with amino acid residue HisL168; for this reason, this group and the pyrrole ring linked with it can hardly participate in structural transformations. The electronic matrix element H12 of the electron transfer from the special pair in the P A δ+ P B δ- state to a molecule of accessory bacteriochlorophyll BA greatly exceeds that for the transfer to BB. This circumstance and the fact that the P A δ+ P B δ- state is energetically more favorable than the P* state facilitate the preferred directionality of the electron transfer in RCPb Rhodobacter Sphaeroides with participation of the cofactors located in its subunit L.

  7. A preliminary analysis of the orbit of the Mars Trojan asteroid (5261) Eureka

    NASA Technical Reports Server (NTRS)

    Mikkola, Seppo; Innanen, Kimmo; Muinonen, Karri; Bowell, Edward

    1994-01-01

    Observations and results of orbit determination of the first known Mars Trojan asteroid (5261) Eureka are presented. We have numerically calculated the evolution of the orbital elements, and have analyzed the behavior of the motion during the next 2 Myr. Strong perturbations by planets other than Mars seem to stabilize the eccentricity of the asteroid by stirring the high order resonances present in the elliptic restricted problem. As a result, the orbit appears stable at least on megayear timescales. The difference of the mean longitudes of Mars and Eureka and the semimajor axis of the asteroid form a pair of variables that essentially behave in an adiabatic manner, while the evolution of the other orbital elements is largely determined by the pertubations due to other planets.

  8. Metal-mediated DNA base pairing: alternatives to hydrogen-bonded Watson-Crick base pairs.

    PubMed

    Takezawa, Yusuke; Shionoya, Mitsuhiko

    2012-12-18

    With its capacity to store and transfer the genetic information within a sequence of monomers, DNA forms its central role in chemical evolution through replication and amplification. This elegant behavior is largely based on highly specific molecular recognition between nucleobases through the specific hydrogen bonds in the Watson-Crick base pairing system. While the native base pairs have been amazingly sophisticated through the long history of evolution, synthetic chemists have devoted considerable efforts to create alternative base pairing systems in recent decades. Most of these new systems were designed based on the shape complementarity of the pairs or the rearrangement of hydrogen-bonding patterns. We wondered whether metal coordination could serve as an alternative driving force for DNA base pairing and why hydrogen bonding was selected on Earth in the course of molecular evolution. Therefore, we envisioned an alternative design strategy: we replaced hydrogen bonding with another important scheme in biological systems, metal-coordination bonding. In this Account, we provide an overview of the chemistry of metal-mediated base pairing including basic concepts, molecular design, characteristic structures and properties, and possible applications of DNA-based molecular systems. We describe several examples of artificial metal-mediated base pairs, such as Cu(2+)-mediated hydroxypyridone base pair, H-Cu(2+)-H (where H denotes a hydroxypyridone-bearing nucleoside), developed by us and other researchers. To design the metallo-base pairs we carefully chose appropriate combinations of ligand-bearing nucleosides and metal ions. As expected from their stronger bonding through metal coordination, DNA duplexes possessing metallo-base pairs exhibited higher thermal stability than natural hydrogen-bonded DNAs. Furthermore, we could also use metal-mediated base pairs to construct or induce other high-order structures. These features could lead to metal-responsive functional

  9. Natural thermoluminescence of Antarctic meteorites and related studies

    NASA Technical Reports Server (NTRS)

    Benoit, Paul H.; Sears, Derek W. G.

    1998-01-01

    The natural thermoluminescence (TL) laboratory's primary purpose is to provide data on newly recovered Antarctic meteorites that can be included in discovery announcements and to investigate the scientific implications of the data. Natural TL levels of meteorites are indicators of recent thermal history and terrestrial history, and the data can be used to study the orbital/radiation history of groups of meteorites (e.g., H chondrites) or to study the processes leading to the concentration of meteorites at certain sites in Antarctica. An important application of these data is the identification of fragments, or "pairs" of meteorites produced during atmospheric passage or during terrestrial weathering. Thermoluminescence data are particularly useful for pairing within the most common meteorite classes, which typically exhibit very limited petrographic and chemical diversity. Although not originally part of the laboratory's objectives, TL data are also useful in the identification and classification of petrographically or mineralogically unusual meteorites, including unequilibrated ordinary chondrites and some basaltic achondrites. In support of its primary mission, the laboratory also engages in TL studies of modern falls, finds from hot deserts, and terrestrial analogs and conducts detailed studies of the TL properties of certain classes of meteorites. These studies include the measurement of TL profiles in meteorites, the determination of TL levels of finds from the Sahara and the Nullarbor region of Australia, and comparison of TL data to other indicators of irradiation or terrestrial history, such as cosmogenic noble gas and radionuclide abundances. Our current work can be divided into five subcategories, (a) TL survey of Antarctic meteorites, (b) pairing and field relations of Antarctic meteorites, (c) characterization of TL systematics of meteorites, (d) comparison of natural TL and other terrestrial age indicators for Antarctic meteorites, and for meteorites

  10. Gyro-viscosity and linear dispersion relations in pair-ion magnetized plasmas

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kono, M.; Vranjes, J.; Departamento de Astrofisica, Universidad de La Laguna, Tenerife E38205

    2015-11-15

    A fluid theory has been developed by taking account of gyro-viscosity to study wave propagation characteristics in a homogeneous pair-ion magnetized plasma with a cylindrical symmetry. The exact dispersion relations derived by the Hankel-Fourier transformation are shown comparable with those observed in the experiment by Oohara and co-workers. The gyro-viscosity is responsible for the change in propagation characteristics of the ion cyclotron wave from forward to backward by suppressing the effect of the thermal pressure which normally causes the forward nature of dispersion. Although the experiment has been already explained by a kinetic theory by the present authors, the kineticmore » derivations are so involved because of exact particle orbits in phase space, finite Lamor radius effects, and higher order ion cyclotron resonances. The present fluid theory provides a simple and transparent structure to the dispersion relations since the gyro-viscosity is renormalized into the ion cyclotron frequency which itself indicates the backward nature of dispersion. The usual disadvantage of a fluid theory, which treats only fundamental modes of eigen-waves excited in a system and is not able to describe higher harmonics that a kinetic theory does, is compensated by simple derivations and clear picture based on the renormalization of the gyro-viscosity.« less

  11. The Spin-orbit resonance of Mercury: a Hamiltonian approach

    NASA Astrophysics Data System (ADS)

    D'Hoedt, S.; Lemaitre, A.

    2005-04-01

    One of the main characteristics of Mercury is its 3:2 spin-orbit resonance, combined with a 1:1 resonance between the orbital node of its orbit and the angle describing the precession of the rotation axis, both measured on the ecliptic plane. We build an analytical model, using Hamiltonian formalism, that takes into account this phenomenon thanks to the introduction of three resonant variables and conjugated momenta. We calculate the equilibria corresponding to four different configurations, which means four completely different values of the (ecliptic) obliquity; in particular, we focus on the present (stable) situation of Mercury, and thanks to several canonical transformations, we obtain, near the equilibrium, three pairs of angle-action variables, and consequently, three basic frequencies. Let us note that the model is as simple as possible: the gravitational potential is limited to the second degree terms (the only ones for which a value can be presently given), and the orbit of Mercury is Keplerian. The numerical values obtained by our simplified model are validated by the coherence with existing complete numerical models.

  12. A retrograde object near Jupiter's orbit

    NASA Astrophysics Data System (ADS)

    Connors, M.; Wiegert, P.

    2018-02-01

    Asteroid 2007 VW266 is among the rare objects with a heliocentric retrograde orbit, and its semimajor axis is within a Hill sphere radius of that of Jupiter. This raised the interesting possibility that it could be in co-orbital retrograde resonance with Jupiter, a second "counter-orbital" object in addition to recently discovered 2015 BZ509. We find instead that the object is in 13/14 retrograde mean motion resonance (also referred to as 13/-14). The object is shown to have entered its present orbit about 1700 years ago, and it will leave it in about 8000 years, both through close approach to Jupiter. Entry and exit states both avoid 1:1 retrograde resonance, but the retrograde nature is preserved. The temporary stable state is due to an elliptic orbit with high inclination keeping nodal passages far from the associated planet. We discuss the motion of this unusual object based on modeling and theory, and its observational prospects.

  13. Pseudospin-orbit splitting and its consequences for the central depression in nuclear density

    NASA Astrophysics Data System (ADS)

    Li, Jia Jie; Long, Wen Hui; Song, Jun Ling; Zhao, Qiang

    2016-05-01

    The occurrence of the bubble-like structure has been studied, in the light of pseudospin degeneracy, within the relativistic Hartree-Fock-Bogoliubov (RHFB) theory. It is concluded that the charge/neutron bubble-like structure is predicted to occur in the mirror system of {34Si,34Ca } commonly by the selected Lagrangians, due to the persistence of Z (N )=14 subshell gaps above which the π (ν ) 2 s1 /2 states are not occupied. However, for the popular candidate 46Ar, the RHFB Lagrangian PKA1 does not support the occurrence of the bubble-like structure in the charge (proton) density profiles, due to the almost degenerate pseudospin doublet {π 2 s1 /2,π 1 d3 /2} and coherent pairing effects. The formation of a semibubble in heavy nuclei is less possible as a result of small pseudospin-orbit (PSO) splitting, while it tends to appear at Z =120 superheavy systems which coincides with large PSO splitting of the doublet {π 3 p3 /2,π 2 f5 /2} and couples with significant shell effects. Pairing correlations, which can work against bubble formation, significantly affect the PSO splitting. Furthermore, we found that the influence on semibubble formation due to different types of pairing interactions is negligible. The quenching of the spin-orbit splitting in the p orbit has been also stressed, and it may be considered the hallmark for semibubble nuclei.

  14. Orbital Analysis of Two Triple Systems in the Open Cluster NGC 2516

    NASA Astrophysics Data System (ADS)

    Veramendi, M. E.; González, J. F.

    2010-12-01

    We report the discovery of two hierarchical triple systems in the open cluster NGC 2516. Both systems are double-lined spectroscopic binaries whose center-of-mass velocity varies in a time scale of a few years. The system BDA 19 consists of an eccentric spectroscopic binary with a period of 8.7 days and a third body orbiting with a period of about 3300 days. The close pair in the triple BDA 2 has an orbital period of 11.2 days and contains a HgMn star.

  15. PAIRS AND GROUPS OF GENETICALLY RELATED LONG-PERIOD COMETS AND PROPOSED IDENTITY OF THE MYSTERIOUS LICK OBJECT OF 1921

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sekanina, Zdenek; Kracht, Rainer, E-mail: Zdenek.Sekanina@jpl.nasa.gov, E-mail: R.Kracht@t-online.de

    We present the history of investigation of the dynamical properties of pairs and groups of genetically related long-period comets (other than the Kreutz sungrazing system). Members of a comet pair or group move in nearly identical orbits, and their origin as fragments of a common parent comet is unquestionable. The only variable is the time of perihelion passage, which differs considerably from member to member owing primarily to an orbital-momentum increment acquired during breakup. Meter-per-second separation velocities account for gaps of years or tens of years, thanks to the orbital periods of many millennia. The physical properties of individual membersmore » may not at all be alike, as illustrated by the trio of C/1988 A1, C/1996 Q1, and C/2015 F3. We exploit orbital similarity to examine whether the enigmatic and as-yet-unidentified object discovered from the Lick Observatory near the Sun at sunset on 1921 August 7 happened to be a member of such a pair and to track down the long-period comet to which it might be genetically related. Our search shows that the Lick object, which could not be a Kreutz sungrazer, was likely a companion to comet C/1847 C1 (Hind), whose perihelion distance was ∼9 R {sub ⊙} and true orbital period was approximately 8300 yr. The gap of 74.4 yr between their perihelion times is consistent with a separation velocity of ∼1 m s{sup −1} which sets the fragments apart following the parent's breakup in a general proximity of perihelion during the previous return to the Sun in the seventh millennium BCE.« less

  16. ORBITAL AND PHYSICAL PROPERTIES OF THE σ Ori Aa, Ab, B TRIPLE SYSTEM

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Simón-Díaz, S.; Caballero, J. A.; Apellániz, J. Maíz

    2015-02-01

    We provide a complete characterization of the astrophysical properties of the σ Ori Aa, Ab, B hierarchical triple system and an improved set of orbital parameters for the highly eccentric σ Ori Aa, Ab spectroscopic binary. We compiled a spectroscopic data set comprising 90 high-resolution spectra covering a total time span of 1963 days. We applied the Lehman-Filhés method for a detailed orbital analysis of the radial velocity curves and performed a combined quantitative spectroscopic analysis of the σ Ori Aa, Ab, B system by means of the stellar atmosphere code FASTWIND. We used our own plus other available information onmore » photometry and distance to the system for measuring the radii, luminosities, and spectroscopic masses of the three components. We also inferred evolutionary masses and stellar ages using the Bayesian code BONNSAI. The orbital analysis of the new radial velocity curves led to a very accurate orbital solution of the σ Ori Aa, Ab pair. We provided indirect arguments indicating that σ Ori B is a fast-rotating early B dwarf. The FASTWIND+BONNSAI analysis showed that the Aa, Ab pair contains the hottest and most massive components of the triple system while σ Ori B is a bit cooler and less massive. The derived stellar ages of the inner pair are intriguingly younger than the one widely accepted for the σ Orionis cluster, at 3 ± 1 Ma. The outcome of this study will be of key importance for a precise determination of the distance to the σ Orionis cluster, the interpretation of the strong X-ray emission detected for σ Ori Aa, Ab, B, and the investigation of the formation and evolution of multiple massive stellar systems and substellar objects.« less

  17. The Mars Climate Orbiter is lifted up the Pad 17A gantry

    NASA Technical Reports Server (NTRS)

    1998-01-01

    The Mars Climate Orbiter with its upper stage booster, wrapped in a protective covering, is mated to the second stage of a Boeing Delta II (7425) rocket at Launch Complex 17, Pad A, Cape Canaveral Air Station. Targeted for liftoff on Dec. 10, 1998, the orbiter will be the first spacecraft to be launched in the pair of Mars '98 missions. After its arrival at the red planet, the Mars Climate Orbiter will be used primarily to support its companion Mars Polar Lander spacecraft, scheduled for launch on Jan. 3, 1999. The orbiter will then monitor the Martian atmosphere and image the planet's surface on a daily basis for one Martian year, the equivalent of about two Earth years. The spacecraft will observe the appearance and movement of atmospheric dust and water vapor, and characterize seasonal changes on the planet's surface.

  18. Numerical analysis of spin-orbit-coupled one-dimensional Fermi gas in a magnetic field

    NASA Astrophysics Data System (ADS)

    Chan, Y. H.

    2015-06-01

    Based on the density-matrix renormalization group and the infinite time-evolving block decimation methods we study the interacting spin-orbit-coupled 1D Fermi gas in a transverse magnetic field. We find that the system with an attractive interaction can have a polarized insulator phase, a superconducting (SC) phase, a Luther-Emery (LE) phase, and a band insulator phase as we vary the chemical potential and the strength of the magnetic field. Spin-orbit coupling (SOC) enhances the triplet pairing order at zero momentum in both the SC and the LE phase, which leads to an algebraically decaying correlation with the same exponent as that of the singlet pairing one. In contrast to the Fulde-Ferrell-Larkin-Ovchinnikov phase found in the spin imbalanced system without SOC, pairings at finite momentum in these two phases have larger exponents hence do not dictate the long-range behavior. We also test for the presence of Majorana fermions in this system. Unlike results from the mean-field study, we do not find positive evidence of Majorana fermions.

  19. Spin-orbit beams for optical chirality measurement

    NASA Astrophysics Data System (ADS)

    Samlan, C. T.; Suna, Rashmi Ranjan; Naik, Dinesh N.; Viswanathan, Nirmal K.

    2018-01-01

    Accurate measurement of chirality is essential for the advancement of natural and pharmaceutical sciences. We report here a method to measure chirality using non-separable states of light with geometric phase-gradient in the circular polarization basis, which we refer to as spin-orbit beams. A modified polarization Sagnac interferometer is used to generate spin-orbit beams wherein the spin and orbital angular momentum of the input Gaussian beam are coupled. The out-of-phase interference between counter-propagating Gaussian beams with orthogonal spin states and lateral-shear or/and linear-phase difference between them results in spin-orbit beams with linear and azimuthal phase gradient. The spin-orbit beams interact efficiently with the chiral medium, inducing a measurable change in the center-of-mass of the beam, using the polarization rotation angle and hence the chirality of the medium are accurately calculated. Tunable dynamic range of measurement and flexibility to introduce large values of orbital angular momentum for the spin-orbit beam, to improve the measurement sensitivity, highlight the techniques' versatility.

  20. Natural and orbital debris particles on LDEF's trailing and forward-facing surfaces

    NASA Technical Reports Server (NTRS)

    Hoerz, Friedrich; See, Thomas H.; Bernhard, Ronald P.; Brownlee, Donald E.

    1995-01-01

    Approximately 1000 impact craters on the Chemistry of Meteoroid Experiment (CME) have been analyzed by means of Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray Analysis (EDXA) to determine the compositional make-up of projectile residues. This report completes our systematic survey of gold and aluminum surfaces exposed at the trailing-edge (A03) and forward-facing (A11) LDEF sites, respectively. The major categories for the projectile residues were (1) natural, with diverse subgroups such as chondritic, monomineralic silicates, and sulfides, and (2) man made, that were classified into aluminum (metallic or oxide) and miscellaneous materials (such as stainless steel, paint flakes, etc). On CME gold collectors on LDEF's trailing edge approximately 11 percent of all craters greater than 100 micron in diameter were due to man-made debris, the majority (8.6 percent) caused by pure aluminum, approximately 31.4 percent were due to cosmic dust, while the remaining 58 percent were indeterminate via the analytical techniques utilized in this study. The aluminum surfaces located at the A11 forward-facing site did not permit analysis of aluminum impactors, but approximately 9.4 percent of all craters were demonstratably caused by miscellaneous debris materials and approximately 39.2 percent were the result of natural particles, leaving approximately 50 percent which were indeterminate. Model considerations and calculations are presented that focus on the crater-production rates for features greater than 100 micron in diameter, and on assigning the intermediate crater population to man-made or natural particles. An enhancement factor of 6 in the crater-production rate of natural impactors for the 'forward-facing' versus the 'trailing-edge' CME collectors was found to best explain all observations (i.e., total crater number(s), as well as their computational characteristics). Enhancement factors of 10 and 4 are either too high or too low. It is also suggested that

  1. The TWA 3 Young Triple System: Orbits, Disks, Evolution

    NASA Astrophysics Data System (ADS)

    Kellogg, Kendra; Prato, L.; Torres, Guillermo; Schaefer, G. H.; Avilez, I.; Ruíz-Rodríguez, D.; Wasserman, L. H.; Bonanos, Alceste Z.; Guenther, E. W.; Neuhäuser, R.; Levine, S. E.; Bosh, A. S.; Morzinski, Katie M.; Close, Laird; Bailey, Vanessa; Hinz, Phil; Males, Jared R.

    2017-08-01

    We have characterized the spectroscopic orbit of the TWA 3A binary and provide preliminary families of probable solutions for the TWA 3A visual orbit, as well as for the wide TWA 3A-B orbit. TWA 3 is a hierarchical triple located at 34 pc in the ˜10 Myr old TW Hya association. The wide component separation is 1.″55 the close pair was first identified as a possible binary almost 20 years ago. We initially identified the 35-day period orbital solution using high-resolution infrared spectroscopy that angularly resolved the A and B components. We then refined the preliminary orbit by combining the infrared data with a reanalysis of our high-resolution optical spectroscopy. The orbital period from the combined spectroscopic solution is ˜35 days, the eccentricity is ˜0.63, and the mass ratio is ˜0.84 although this high mass ratio would suggest that optical spectroscopy alone should be sufficient to identify the orbital solution, the presence of the tertiary B component likely introduced confusion in the blended optical spectra. Using millimeter imaging from the literature, we also estimate the inclinations of the stellar orbital planes with respect to the TWA 3A circumbinary disk inclination and find that all three planes are likely misaligned by at least ˜30°. The TWA 3A spectroscopic binary components have spectral types of M4.0 and M4.5; TWA 3B is an M3. We speculate that the system formed as a triple, is bound, and that its properties were shaped by dynamical interactions between the inclined orbits and disk.

  2. The TWA 3 Young Triple System: Orbits, Disks, Evolution

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kellogg, Kendra; Prato, L.; Avilez, I.

    2017-08-01

    We have characterized the spectroscopic orbit of the TWA 3A binary and provide preliminary families of probable solutions for the TWA 3A visual orbit, as well as for the wide TWA 3A–B orbit. TWA 3 is a hierarchical triple located at 34 pc in the ∼10 Myr old TW Hya association. The wide component separation is 1.″55; the close pair was first identified as a possible binary almost 20 years ago. We initially identified the 35-day period orbital solution using high-resolution infrared spectroscopy that angularly resolved the A and B components. We then refined the preliminary orbit by combining themore » infrared data with a reanalysis of our high-resolution optical spectroscopy. The orbital period from the combined spectroscopic solution is ∼35 days, the eccentricity is ∼0.63, and the mass ratio is ∼0.84; although this high mass ratio would suggest that optical spectroscopy alone should be sufficient to identify the orbital solution, the presence of the tertiary B component likely introduced confusion in the blended optical spectra. Using millimeter imaging from the literature, we also estimate the inclinations of the stellar orbital planes with respect to the TWA 3A circumbinary disk inclination and find that all three planes are likely misaligned by at least ∼30°. The TWA 3A spectroscopic binary components have spectral types of M4.0 and M4.5; TWA 3B is an M3. We speculate that the system formed as a triple, is bound, and that its properties were shaped by dynamical interactions between the inclined orbits and disk.« less

  3. Understanding Fomalhaut as a Cooper pair

    NASA Astrophysics Data System (ADS)

    Feng, F.; Jones, H. R. A.

    2018-03-01

    Fomalhaut is a nearby stellar system and has been found to be a triple based on astrometric observations. With new radial velocity and astrometric data, we study the association between Fomalhaut A, B, and C in a Bayesian framework, finding that the system is gravitationally bound or at least associated. Based on simulations of the system, we find that Fomalhaut C can be easily destabilized through combined perturbations from the Galactic tide and stellar encounters. Considering that observing the disruption of a triple is probably rare in the solar neighbourhood, we conclude that Fomalhaut C is a so-called `gravitational pair' of Fomalhaut A and B. Like the Cooper pair mechanism in superconductors, this phenomenon only appears once the orbital energy of a component becomes comparable with the energy fluctuations caused by the environment. Based on our simulations, we find (1) an upper limit of 8 km s-1 velocity difference is appropriate when selecting binary candidates, and (2) an empirical formula for the escape radius, which is more appropriate than tidal radius when measuring the stability of wide binaries.

  4. [Malignant Choroidal Melanoma in T4 Orbital Stage; Prosthesis of the Orbit].

    PubMed

    Furdová, A; Ferková, A; Krásnik, V; Krčová, I; Horkovičová, K

    2015-06-01

    Diagnosis and treatment of tumors of the eye is extremely difficul; surgical treatment in advanced stages, when the tumor grows in the orbit, leads to extensive radical surgery of the face. The extent and nature of surgical procedures depends on the nature of the tumor process, in advanced stages is indicated mutilating surgery--exenteration of the orbit. Exenteration of the orbit due to the extrascleral extension of malignant melanoma of the uvea is very rare, unfortunately, even today in certain cases it is necessary to make such a mutilating surgery. Case report--65 year old female patient, sent to our Departement in 2008 with the finding of the pigment deposits on the posterior pole of the left eye. Ultrasound study found elevations of up to 3 mm, she was asked to come for further control in three months interval. She did not coma, furthermore she sporadically attended another eye clinic. In 2011 she was treated for secondary glaucoma--cyclocryopexia. Due to pain another surgery--tarzoraphia was indicated. In 2012 she underwent surgery at St. Elisabeth Cancer Institute in Bratislava--Nefrectomia transperitoneally l. dx., excision hepatis. Histological examination in addition to the primary papillary renal carcinoma--mucinous tubular T1 Nx Mx type, found the metastasis of malignant melanoma to the liver and right kidney. She underwent the diagnostic procedure to find the origo of the melanoma. The patient was subsequently admitted to our clinic with blind painfull eye for enucleation. During the surgery the was found retrobulbar tumor ingrowth. Histopatholigical findings confirmed malignant melanoma. Indicated was exenteration of the orbit due to malignant melanoma T4 N0 M2 stage in June 2012. After healing of the cavity she was recommended to design an individual prosthesis. After completing several courses of palliative chemotherapy during a recent review in January 2015 the patient is without recurrence of the melanoma in the orbit Histological examination

  5. Multi-Body Orbit Architectures for Lunar South Pole Coverage

    NASA Technical Reports Server (NTRS)

    Grebow, D. J.; Ozimek, M. T.; Howell, K. C.; Folta, D. C.

    2006-01-01

    A potential ground station at the lunar south pole has prompted studies of orbit architectures that ensure adequate coverage. Constant communications can be achieved with two spacecraft in different combinations of Earth-Moon libration point orbits. Halo and vertical families, as well as other orbits near L1 and L2 are considered. The investigation includes detailed results using nine different orbits with periods ranging from 7 to 16 days. Natural solutions are generated in a full ephemeris model, including solar perturbations. A preliminary station-keeping analysis is also completed.

  6. Semiclassical relation between open trajectories and periodic orbits for the Wigner time delay.

    PubMed

    Kuipers, Jack; Sieber, Martin

    2008-04-01

    The Wigner time delay of a classically chaotic quantum system can be expressed semiclassically either in terms of pairs of scattering trajectories that enter and leave the system or in terms of the periodic orbits trapped inside the system. We show how these two pictures are related on the semiclassical level. We start from the semiclassical formula with the scattering trajectories and derive from it all terms in the periodic orbit formula for the time delay. The main ingredient in this calculation are correlations between scattering trajectories which are due to trajectories that approach the trapped periodic orbits closely. The equivalence between the two pictures is also demonstrated by considering correlation functions of the time delay. A corresponding calculation for the conductance gives no periodic orbit contributions in leading order.

  7. Creation of Spin-Triplet Cooper Pairs in the Absence of Magnetic Ordering

    NASA Astrophysics Data System (ADS)

    Breunig, Daniel; Burset, Pablo; Trauzettel, Björn

    2018-01-01

    In superconducting spintronics, it is essential to generate spin-triplet Cooper pairs on demand. Up to now, proposals to do so concentrate on hybrid structures in which a superconductor (SC) is combined with a magnetically ordered material (or an external magnetic field). We, instead, identify a novel way to create and isolate spin-triplet Cooper pairs in the absence of any magnetic ordering. This achievement is only possible because we drive a system with strong spin-orbit interaction—the Dirac surface states of a strong topological insulator (TI)-out of equilibrium. In particular, we consider a bipolar TI-SC-TI junction, where the electrochemical potentials in the outer leads differ in their overall sign. As a result, we find that nonlocal singlet pairing across the junction is completely suppressed for any excitation energy. Hence, this junction acts as a perfect spin-triplet filter across the SC, generating equal-spin Cooper pairs via crossed Andreev reflection.

  8. Creation of Spin-Triplet Cooper Pairs in the Absence of Magnetic Ordering.

    PubMed

    Breunig, Daniel; Burset, Pablo; Trauzettel, Björn

    2018-01-19

    In superconducting spintronics, it is essential to generate spin-triplet Cooper pairs on demand. Up to now, proposals to do so concentrate on hybrid structures in which a superconductor (SC) is combined with a magnetically ordered material (or an external magnetic field). We, instead, identify a novel way to create and isolate spin-triplet Cooper pairs in the absence of any magnetic ordering. This achievement is only possible because we drive a system with strong spin-orbit interaction-the Dirac surface states of a strong topological insulator (TI)-out of equilibrium. In particular, we consider a bipolar TI-SC-TI junction, where the electrochemical potentials in the outer leads differ in their overall sign. As a result, we find that nonlocal singlet pairing across the junction is completely suppressed for any excitation energy. Hence, this junction acts as a perfect spin-triplet filter across the SC, generating equal-spin Cooper pairs via crossed Andreev reflection.

  9. Time-reversal-invariant spin-orbit-coupled bilayer Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Maisberger, Matthew; Wang, Lin-Cheng; Sun, Kuei; Xu, Yong; Zhang, Chuanwei

    2018-05-01

    Time-reversal invariance plays a crucial role for many exotic quantum phases, particularly for topologically nontrivial states, in spin-orbit coupled electronic systems. Recently realized spin-orbit coupled cold-atom systems, however, lack the time-reversal symmetry due to the inevitable presence of an effective transverse Zeeman field. We address this issue by analyzing a realistic scheme to preserve time-reversal symmetry in spin-orbit-coupled ultracold atoms, with the use of Hermite-Gaussian-laser-induced Raman transitions that preserve spin-layer time-reversal symmetry. We find that the system's quantum states form Kramers pairs, resulting in symmetry-protected gap closing of the lowest two bands at arbitrarily large Raman coupling. We also show that Bose gases in this setup exhibit interaction-induced layer-stripe and uniform phases as well as intriguing spin-layer symmetry and spin-layer correlation.

  10. Pairing States of Spin-3/2 Fermions: Symmetry-Enforced Topological Gap Functions

    NASA Astrophysics Data System (ADS)

    Venderbos, Jörn W. F.; Savary, Lucile; Ruhman, Jonathan; Lee, Patrick A.; Fu, Liang

    2018-01-01

    We study the topological properties of superconductors with paired j =3/2 quasiparticles. Higher spin Fermi surfaces can arise, for instance, in strongly spin-orbit coupled band-inverted semimetals. Examples include the Bi-based half-Heusler materials, which have recently been established as low-temperature and low-carrier density superconductors. Motivated by this experimental observation, we obtain a comprehensive symmetry-based classification of topological pairing states in systems with higher angular momentum Cooper pairing. Our study consists of two main parts. First, we develop the phenomenological theory of multicomponent (i.e., higher angular momentum) pairing by classifying the stationary points of the free energy within a Ginzburg-Landau framework. Based on the symmetry classification of stationary pairing states, we then derive the symmetry-imposed constraints on their gap structures. We find that, depending on the symmetry quantum numbers of the Cooper pairs, different types of topological pairing states can occur: fully gapped topological superconductors in class DIII, Dirac superconductors, and superconductors hosting Majorana fermions. Notably, we find a series of nematic fully gapped topological superconductors, as well as double- and triple-Dirac superconductors, with quadratic and cubic dispersion, respectively. Our approach, applied here to the case of j =3/2 Cooper pairing, is rooted in the symmetry properties of pairing states, and can therefore also be applied to other systems with higher angular momentum and high-spin pairing. We conclude by relating our results to experimentally accessible signatures in thermodynamic and dynamic probes.

  11. Circular revisit orbits design for responsive mission over a single target

    NASA Astrophysics Data System (ADS)

    Li, Taibo; Xiang, Junhua; Wang, Zhaokui; Zhang, Yulin

    2016-10-01

    The responsive orbits play a key role in addressing the mission of Operationally Responsive Space (ORS) because of their capabilities. These capabilities are usually focused on supporting specific targets as opposed to providing global coverage. One subtype of responsive orbits is repeat coverage orbit which is nearly circular in most remote sensing applications. This paper deals with a special kind of repeating ground track orbit, referred to as circular revisit orbit. Different from traditional repeat coverage orbits, a satellite on circular revisit orbit can visit a target site at both the ascending and descending stages in one revisit cycle. This typology of trajectory allows a halving of the traditional revisit time and does a favor to get useful information for responsive applications. However the previous reported numerical methods in some references often cost lots of computation or fail to obtain such orbits. To overcome this difficulty, an analytical method to determine the existence conditions of the solutions to revisit orbits is presented in this paper. To this end, the mathematical model of circular revisit orbit is established under the central gravity model and the J2 perturbation. A constraint function of the circular revisit orbit is introduced, and the monotonicity of that function has been studied. The existent conditions and the number of such orbits are naturally worked out. Taking the launch cost into consideration, optimal design model of circular revisit orbit is established to achieve a best orbit which visits a target twice a day in the morning and in the afternoon respectively for several days. The result shows that it is effective to apply circular revisit orbits in responsive application such as reconnoiter of natural disaster.

  12. Electron correlation within the relativistic no-pair approximation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Almoukhalalati, Adel; Saue, Trond, E-mail: trond.saue@irsamc.ups-tlse.fr; Knecht, Stefan

    This paper addresses the definition of correlation energy within 4-component relativistic atomic and molecular calculations. In the nonrelativistic domain the correlation energy is defined as the difference between the exact eigenvalue of the electronic Hamiltonian and the Hartree-Fock energy. In practice, what is reported is the basis set correlation energy, where the “exact” value is provided by a full Configuration Interaction (CI) calculation with some specified one-particle basis. The extension of this definition to the relativistic domain is not straightforward since the corresponding electronic Hamiltonian, the Dirac-Coulomb Hamiltonian, has no bound solutions. Present-day relativistic calculations are carried out within themore » no-pair approximation, where the Dirac-Coulomb Hamiltonian is embedded by projectors eliminating the troublesome negative-energy solutions. Hartree-Fock calculations are carried out with the implicit use of such projectors and only positive-energy orbitals are retained at the correlated level, meaning that the Hartree-Fock projectors are frozen at the correlated level. We argue that the projection operators should be optimized also at the correlated level and that this is possible by full Multiconfigurational Self-Consistent Field (MCSCF) calculations, that is, MCSCF calculations using a no-pair full CI expansion, but including orbital relaxation from the negative-energy orbitals. We show by variational perturbation theory that the MCSCF correlation energy is a pure MP2-like correlation expression, whereas the corresponding CI correlation energy contains an additional relaxation term. We explore numerically our theoretical analysis by carrying out variational and perturbative calculations on the two-electron rare gas atoms with specially tailored basis sets. In particular, we show that the correlation energy obtained by the suggested MCSCF procedure is smaller than the no-pair full CI correlation energy, in accordance with

  13. Unexpected climatic impacts of orbital forcing out of the Quaternary

    NASA Astrophysics Data System (ADS)

    Ramstein, G.; Zhang, Z.; Le Hir, G.; Contoux, C.; Donnadieu, Y.; Dumas, C.; Schuster, M.; Li, C.

    2016-12-01

    For Quaternary, the impact of orbital variations on climate is huge and well documented. Especially, during the last million years, drastic climate changes occurred, consisting in transitions from glacial to interglacial periods driven by changes in 65°N summer insolation with 100 kyrs periodicity. Nevertheless, the imprint of so-called Milankovic forcings has also been found for Tertiary and Secondary. For both periods, the climatic imprints of orbital forcings are recorded in a warm world without ice sheet. Here, we show through simulation studies the large impact of orbital forcing in very different geological contexts. The first and most striking result depicts the role of insolation changes during the melting of the Marinoan snowball [635 Ma] (Benn et al, Nature Geoscience 2015). This is one of the oldest imprints of orbital forcing on climate. Our result solved a long lasting controversy concerning the melting of the last snowball episode between a huge deglaciation at very high CO2 level and data showing glacial/interglacial cycles occurring during that melting. Our modelling studies focusing on Svalbard high resolution records demonstrate that the glacial/fluvial oscillation was related to orbital forcing in a context of very high CO2 level. Much more recently, during the Tortonian period [11-7 Ma], the orbital cycles shaped the environment and drove the hominin dispersal in Africa. During Tortonian, the ultimate shrinkage of a huge epicontinental sea, that extended from Eastern Europe to Western Asia, has been shown to produce major changes on Asian monsoon (Ramstein et al, Nature, 1997) and triggered the onset of Sahara desert (Zhang et al, Nature 2014). Moreover, this shrinkage drastically enhanced the climate response to orbital changes at the emergence of early hominins in North Africa. Through these two illustrations,we pointed out very different climatic impacts of orbital forcing out of Quaternary.

  14. History of on-orbit satellite fragmentations

    NASA Technical Reports Server (NTRS)

    Johnson, N. L.; Gabbard, J. R.; Devere, G. T.; Johnson, E. E.

    1984-01-01

    The causes of on-orbit fragmentations are varied and may be intentional or accidental. The cause of many fragmentations remains unknown. While a few cases are currently under investigation as on-orbit collision candidates, man is directly responsible for the vast majority of artificial debris polluting the near-Earth space environment. It should be emphasized that the number of fragments listed with each event in this document represent only those debris officially cataloged by NORAD. Each known on-orbit satellite fragementation is described within this document in module format. Also listed are pertinent characteristics of each fragmentation event. Comments regarding the nature of the satellite and additional details of the events are given.

  15. The GEOS-3 orbit determination investigation

    NASA Technical Reports Server (NTRS)

    Pisacane, V. L.; Eisner, A.; Yionoulis, S. M.; Mcconahy, R. J.; Black, H. D.; Pryor, L. L.

    1978-01-01

    The nature and improvement in satellite orbit determination when precise altimetric height data are used in combination with conventional tracking data was determined. A digital orbit determination program was developed that could singly or jointly use laser ranging, C-band ranging, Doppler range difference, and altimetric height data. Two intervals were selected and used in a preliminary evaluation of the altimeter data. With the data available, it was possible to determine the semimajor axis and eccentricity to within several kilometers, in addition to determining an altimeter height bias. When used jointly with a limited amount of either C-band or laser range data, it was shown that altimeter data can improve the orbit solution.

  16. Three superconducting phases with different categories of pairing in hole- and electron-doped LaFeAs1 -xPxO

    NASA Astrophysics Data System (ADS)

    Miyasaka, S.; Uekubo, M.; Tsuji, H.; Nakajima, M.; Tajima, S.; Shiota, T.; Mukuda, H.; Sagayama, H.; Nakao, H.; Kumai, R.; Murakami, Y.

    2017-06-01

    The phase diagram of the LaFeAs1 -xPxO system has been extensively studied through hole and electron doping as well as As/P substitution. It has been revealed that there are three different superconducting phases with different Fermi surface (FS) topologies and thus with possibly different pairing glues. One of them is well understood as spin fluctuation-mediated superconductivity within a FS nesting scenario. Another one with the FSs in a bad nesting condition must be explained in a different context such as orbital or spin fluctuation in a strongly correlated electronic system. In both phases, T -linear resistivity was commonly observed when the superconducting transition temperature Tc becomes the highest value, indicating that the strength of bosonic fluctuation determines Tc. In the last superconducting phase, the nesting condition of FSs and the related bosonic fluctuation are moderate. Variety of phase diagram characterizes the multiple orbital nature of the iron-based superconductors which are just near the boundary between weak and strong correlation regimes.

  17. ARE THE KEPLER NEAR-RESONANCE PLANET PAIRS DUE TO TIDAL DISSIPATION?

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lee, Man Hoi; Fabrycky, D.; Lin, D. N. C., E-mail: mhlee@hku.hk, E-mail: daniel.fabrycky@gmail.com, E-mail: lin@ucolick.org

    The multiple-planet systems discovered by the Kepler mission show an excess of planet pairs with period ratios just wide of exact commensurability for first-order resonances like 2:1 and 3:2. In principle, these planet pairs could have both resonance angles associated with the resonance librating if the orbital eccentricities are sufficiently small, because the width of first-order resonances diverges in the limit of vanishingly small eccentricity. We consider a widely held scenario in which pairs of planets were captured into first-order resonances by migration due to planet-disk interactions, and subsequently became detached from the resonances, due to tidal dissipation in themore » planets. In the context of this scenario, we find a constraint on the ratio of the planet's tidal dissipation function and Love number that implies that some of the Kepler planets are likely solid. However, tides are not strong enough to move many of the planet pairs to the observed separations, suggesting that additional dissipative processes are at play.« less

  18. Use of the VLBI delay observable for orbit determination of Earth-orbiting VLBI satellites

    NASA Technical Reports Server (NTRS)

    Ulvestad, J. S.

    1992-01-01

    Very long-baseline interferometry (VLBI) observations using a radio telescope in Earth orbit were performed first in the 1980s. Two spacecraft dedicated to VLBI are scheduled for launch in 1995; the primary scientific goals of these missions will be astrophysical in nature. This article addresses the use of space VLBI delay data for the additional purpose of improving the orbit determination of the Earth-orbiting spacecraft. In an idealized case of quasi-simultaneous observations of three radio sources in orthogonal directions, analytical expressions are found for the instantaneous spacecraft position and its error. The typical position error is at least as large as the distance corresponding to the delay measurement accuracy but can be much greater for some geometries. A number of practical considerations, such as system noise and imperfect calibrations, set bounds on the orbit-determination accuracy realistically achievable using space VLBI delay data. These effects limit the spacecraft position accuracy to at least 35 cm (and probably 3 m or more) for the first generation of dedicated space VLBI experiments. Even a 35-cm orbital accuracy would fail to provide global VLBI astrometry as accurate as ground-only VLBI. Recommended charges in future space VLBI missions are unlikely to make space VLBI competitive with ground-only VLBI in global astrometric measurements.

  19. Pyrene Molecular Orbital Shuffle-Controlling Excited State and Redox Properties by Changing the Nature of the Frontier Orbitals.

    PubMed

    Merz, Julia; Fink, Julian; Friedrich, Alexandra; Krummenacher, Ivo; Al Mamari, Hamad H; Lorenzen, Sabine; Haehnel, Martin; Eichhorn, Antonius; Moos, Michael; Holzapfel, Marco; Braunschweig, Holger; Lambert, Christoph; Steffen, Andreas; Ji, Lei; Marder, Todd B

    2017-09-21

    We show that by judicious choice of substituents at the 2- and 7-positions of pyrene, the frontier orbital order of pyrene can be modified, giving enhanced control over the nature and properties of the photoexcited states and the redox potentials. Specifically, we introduced a julolidine-like moiety and Bmes 2 (mes=2,4,6-Me 3 C 6 H 2 ) as very strong donor (D) and acceptor (A), respectively, giving 2,7-D-π-D- and unsymmetric 2,7-D-π-A-pyrene derivatives, in which the donor destabilizes the HOMO-1 and the acceptor stabilizes the LUMO+1 of the pyrene core. Consequently, for 2,7-substituted pyrene derivatives, unusual properties are obtained. For example, very large bathochromic shifts were observed for all of our compounds, and unprecedented green light emission occurs for the D/D system. In addition, very high radiative rate constants in solution and in the solid state were recorded for the D-π-D- and D-π-A-substituted compounds. All compounds show reversible one-electron oxidations, and Jul 2 Pyr exhibits a second oxidation, with the largest potential splitting (ΔE=440 mV) thus far reported for 2,7-substituted pyrenes. Spectroelectrochemical measurements confirm an unexpectedly strong coupling between the 2,7-substituents in our pyrene derivatives. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Resonance of an unshared electron pair between two atoms connected by a single bond

    PubMed Central

    Pauling, Linus

    1983-01-01

    The reported structure of the dimer of a compound of bicovalent tin indicates that the tin-tin bond is of a new type. It can be described as involving resonance between two structures in which there is transfer of an electron pair from one tin atom to the other. The tin atoms are connected by a single covalent bond (each also forms two covalent bonds with carbon atoms), and an unshared electron pair resonates between the fourth sp3 orbitals of the two atoms. Similar structures probably occur in digermene and distannene. PMID:16593329

  1. Destructive quantum interference in electron transport: A reconciliation of the molecular orbital and the atomic orbital perspective

    NASA Astrophysics Data System (ADS)

    Zhao, Xin; Geskin, Victor; Stadler, Robert

    2017-03-01

    Destructive quantum interference (DQI) in single molecule electronics is a purely quantum mechanical effect and is entirely defined by the inherent properties of the molecule in the junction such as its structure and symmetry. This definition of DQI by molecular properties alone suggests its relation to other more general concepts in chemistry as well as the possibility of deriving simple models for its understanding and molecular device design. Recently, two such models have gained a wide spread attention, where one was a graphical scheme based on visually inspecting the connectivity of the carbon sites in conjugated π systems in an atomic orbital (AO) basis and the other one puts the emphasis on the amplitudes and signs of the frontier molecular orbitals (MOs). There have been discussions on the range of applicability for these schemes, but ultimately conclusions from topological molecular Hamiltonians should not depend on whether they are drawn from an AO or a MO representation, as long as all the orbitals are taken into account. In this article, we clarify the relation between both models in terms of the zeroth order Green's function and compare their predictions for a variety of systems. From this comparison, we conclude that for a correct description of DQI from a MO perspective, it is necessary to include the contributions from all MOs rather than just those from the frontier orbitals. The cases where DQI effects can be successfully predicted within a frontier orbital approximation we show them to be limited to alternant even-membered hydrocarbons, as a direct consequence of the Coulson-Rushbrooke pairing theorem in quantum chemistry.

  2. A Semi-Analytical Orbit Propagator Program for Highly Elliptical Orbits

    NASA Astrophysics Data System (ADS)

    Lara, M.; San-Juan, J. F.; Hautesserres, D.

    2016-05-01

    A semi-analytical orbit propagator to study the long-term evolution of spacecraft in Highly Elliptical Orbits is presented. The perturbation model taken into account includes the gravitational effects produced by the first nine zonal harmonics and the main tesseral harmonics affecting to the 2:1 resonance, which has an impact on Molniya orbit-types, of Earth's gravitational potential, the mass-point approximation for third body perturbations, which on ly include the Legendre polynomial of second order for the sun and the polynomials from second order to sixth order for the moon, solar radiation pressure and atmospheric drag. Hamiltonian formalism is used to model the forces of gravitational nature so as to avoid time-dependence issues the problem is formulated in the extended phase space. The solar radiation pressure is modeled as a potential and included in the Hamiltonian, whereas the atmospheric drag is added as a generalized force. The semi-analytical theory is developed using perturbation techniques based on Lie transforms. Deprit's perturbation algorithm is applied up to the second order of the second zonal harmonics, J2, including Kozay-type terms in the mean elements Hamiltonian to get "centered" elements. The transformation is developed in closed-form of the eccentricity except for tesseral resonances and the coupling between J_2 and the moon's disturbing effects are neglected. This paper describes the semi-analytical theory, the semi-analytical orbit propagator program and some of the numerical validations.

  3. Ultracold Atoms in a Square Lattice with Spin-Orbit Coupling: Charge Order, Superfluidity, and Topological Signatures

    NASA Astrophysics Data System (ADS)

    Rosenberg, Peter; Shi, Hao; Zhang, Shiwei

    2017-12-01

    We present an ab initio, numerically exact study of attractive fermions in square lattices with Rashba spin-orbit coupling. The ground state of this system is a supersolid, with coexisting charge and superfluid order. The superfluid is composed of both singlet and triplet pairs induced by spin-orbit coupling. We perform large-scale calculations using the auxiliary-field quantum Monte Carlo method to provide the first full, quantitative description of the charge, spin, and pairing properties of the system. In addition to characterizing the exotic physics, our results will serve as essential high-accuracy benchmarks for the intense theoretical and especially experimental efforts in ultracold atoms to realize and understand an expanding variety of quantum Hall and topological superconductor systems.

  4. The Mars Climate Orbiter is lifted up the Pad 17A gantry

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Wrapped in a protective covering, the Mars Climate Orbiter with its upper stage booster is lifted up at Launch Complex 17, Pad A, Cape Canaveral Air Station, in preparation for mating to the second stage of a Boeing Delta II (7425) rocket. Targeted for liftoff on Dec. 10, 1998, the orbiter will be the first spacecraft to be launched in the pair of Mars '98 missions. After its arrival at the red planet, the Mars Climate Orbiter will be used primarily to support its companion Mars Polar Lander spacecraft, scheduled for launch on Jan. 3, 1999. The orbiter will then monitor the Martian atmosphere and image the planet's surface on a daily basis for one Martian year, the equivalent of about two Earth years. The spacecraft will observe the appearance and movement of atmospheric dust and water vapor, and characterize seasonal changes on the planet's surface.

  5. The Mars Climate Orbiter is lifted up the Pad 17A gantry

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Wrapped in a protective covering, the Mars Climate Orbiter with its upper stage booster is lowered in preparation for mating to the second stage of a Boeing Delta II (7425) rocket at Launch Complex 17, Pad A, Cape Canaveral Air Station. Targeted for liftoff on Dec. 10, 1998, the orbiter will be the first spacecraft to be launched in the pair of Mars '98 missions. After its arrival at the red planet, the Mars Climate Orbiter will be used primarily to support its companion Mars Polar Lander spacecraft, scheduled for launch on Jan. 3, 1999. The orbiter will then monitor the Martian atmosphere and image the planet's surface on a daily basis for one Martian year, the equivalent of about two Earth years. The spacecraft will observe the appearance and movement of atmospheric dust and water vapor, and characterize seasonal changes on the planet's surface.

  6. VLBA Reveals Closest Pair of Supermassive Black Holes

    NASA Astrophysics Data System (ADS)

    2006-05-01

    Astronomers using the National Science Foundation's Very Long Baseline Array (VLBA) radio telescope have found the closest pair of supermassive black holes ever discovered in the Universe -- a duo of monsters that together are more than 150 million times more massive than the Sun and closer together than the Earth and the bright star Vega. The VLBA The VLBA CREDIT: NRAO/AUI/NSF "These two giant black holes are only about 24 light-years apart, and that's more than 100 times closer than any pair found before," said Cristina Rodriguez, of the University of New Mexico (UNM) and Simon Bolivar University in Venezuela. Black holes are concentrations of mass with gravity so strong that not even light can escape them. The black hole pair is in the center of a galaxy called 0402+379, some 750 million light-years from Earth. Astronomers presume that each of the supermassive black holes was once at the core of a separate galaxy, then the two galaxies collided, leaving the black holes orbiting each other. The black holes orbit each other about once every 150,000 years, the scientists say. "If two black holes like these were to collide, that event would create the type of strong gravitational waves that physicists hope to detect with instruments now under construction," said Gregory Taylor, of UNM. The physicists will need to wait, though: the astronomers calculate that the black holes in 0402+379 won't collide for about a billion billion years. "There are some things that might speed that up a little bit," Taylor remarked. An earlier VLBA study of 0402+379, an elliptical galaxy, showed the pair of radio-wave-emitting objects near its core. Further studies using the VLBA and the Hobby-Eberly Telescope in Texas, revealed that the pair of objects is indeed a pair of supermassive black holes. "We needed the ultra-sharp radio 'vision' of the VLBA, particularly at the high radio frequencies of 22 and 43 GigaHertz, to get the detail needed to show that those objects are a pair of

  7. Lone pair-π interactions in biological systems: occurrence, function, and physical origin.

    PubMed

    Kozelka, Jiří

    2017-12-01

    Lone pair-π interactions are now recognized as a supramolecular bond whose existence in biological systems is documented by a growing number of examples. They are commonly attributed to electrostatic forces. This review attempts to highlight some recent discoveries evidencing the important role which lone pair-π interactions, and anion-π interactions in particular, play in stabilizing the structure and affecting the function of biomolecules. Special attention is paid to studies exploring the physical origin of these at first glance counterintuitive interactions between a lone pair of electrons of one residue and the π-cloud of another. Recent theoretical work went beyond the popular electrostatic model and inquired the extent to which orbital interactions have to be taken into account. In at least one biologically relevant case-that of anion-flavin interactions-a substantial charge-transfer component has been shown to operate.

  8. ORBITS OF FOUR YOUNG TRIPLE-LINED MULTIPLE SYSTEMS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tokovinin, Andrei, E-mail: atokovinin@ctio.noao.edu

    2016-07-01

    Each of the nearby triple systems HIP 7601, 13498, 23824, and 113597 (HD 10800, 18198, 35877, 217379) consist of solar-type dwarfs with comparable masses, where all three components are resolved spectrally, while the outer pairs are resolved both visually and spectrally. These stars are relatively young (between 100 and 600 Myr) and chromospherically active (X-ray sources), although they rotate slowly. I determine the spectroscopic orbits of the inner subsystems (periods 19.4, 14.1, 5.6, 20.3 days) and the orbits of the outer systems (periods 1.75, 51, 27, 500 years, respectively). For HIP 7601 and 13498, the combined spectro-interferometric outer orbits producemore » direct measurement of the masses of all of the components, allowing for a comparison with stellar models. The 6708 Å lithium line is present and its strength is measured in each component individually by subtracting the contributions of the other components. The inner and outer orbits of HIP 7601 are nearly circular, likely co-planar, and have a modest period ratio of 1:33. This study contributes to the characterization of hierarchical multiplicity in the solar neighborhood and provides data for testing stellar evolutionary models and chronology.« less

  9. Asteroid clusters similar to asteroid pairs

    NASA Astrophysics Data System (ADS)

    Pravec, P.; Fatka, P.; Vokrouhlický, D.; Scheeres, D. J.; Kušnirák, P.; Hornoch, K.; Galád, A.; Vraštil, J.; Pray, D. P.; Krugly, Yu. N.; Gaftonyuk, N. M.; Inasaridze, R. Ya.; Ayvazian, V. R.; Kvaratskhelia, O. I.; Zhuzhunadze, V. T.; Husárik, M.; Cooney, W. R.; Gross, J.; Terrell, D.; Világi, J.; Kornoš, L.; Gajdoš, Š.; Burkhonov, O.; Ehgamberdiev, Sh. A.; Donchev, Z.; Borisov, G.; Bonev, T.; Rumyantsev, V. V.; Molotov, I. E.

    2018-04-01

    We studied the membership, size ratio and rotational properties of 13 asteroid clusters consisting of between 3 and 19 known members that are on similar heliocentric orbits. By backward integrations of their orbits, we confirmed their cluster membership and estimated times elapsed since separation of the secondaries (the smaller cluster members) from the primary (i.e., cluster age) that are between 105 and a few 106 years. We ran photometric observations for all the cluster primaries and a sample of secondaries and we derived their accurate absolute magnitudes and rotation periods. We found that 11 of the 13 clusters follow the same trend of primary rotation period vs mass ratio as asteroid pairs that was revealed by Pravec et al. (2010). We generalized the model of the post-fission system for asteroid pairs by Pravec et al. (2010) to a system of N components formed by rotational fission and we found excellent agreement between the data for the 11 asteroid clusters and the prediction from the theory of their formation by rotational fission. The two exceptions are the high-mass ratio (q > 0.7) clusters of (18777) Hobson and (22280) Mandragora for which a different formation mechanism is needed. Two candidate mechanisms for formation of more than one secondary by rotational fission were published: the secondary fission process proposed by Jacobson and Scheeres (2011) and a cratering collision event onto a nearly critically rotating primary proposed by Vokrouhlický et al. (2017). It will have to be revealed from future studies which of the clusters were formed by one or the other process. To that point, we found certain further interesting properties and features of the asteroid clusters that place constraints on the theories of their formation, among them the most intriguing being the possibility of a cascade disruption for some of the clusters.

  10. Orbital symmetry fingerprints for magnetic adatoms in graphene

    NASA Astrophysics Data System (ADS)

    Uchoa, Bruno; Yang, Ling; Tsai, S.-W.; Peres, N. M. R.; Castro Neto, A. H.

    2014-01-01

    In this paper, we describe the formation of local resonances in graphene in the presence of magnetic adatoms containing localized orbitals of arbitrary symmetry, corresponding to any given angular momentum state. We show that quantum interference effects which are naturally inbuilt in the honeycomb lattice in combination with the specific orbital symmetry of the localized state lead to the formation of fingerprints in differential conductance curves. In the presence of Jahn-Teller distortion effects, which lift the orbital degeneracy of the adatoms, the orbital symmetries can lead to distinctive signatures in the local density of states. We show that those effects allow scanning tunneling probes to characterize adatoms and defects in graphene.

  11. Orbital decomposition of CALIFA spiral galaxies

    NASA Astrophysics Data System (ADS)

    Zhu, Ling; van den Bosch, Remco; van de Ven, Glenn; Lyubenova, Mariya; Falcón-Barroso, Jesús; Meidt, Sharon E.; Martig, Marie; Shen, Juntai; Li, Zhao-Yu; Yildirim, Akin; Walcher, C. Jakob; Sanchez, Sebastian F.

    2018-01-01

    Schwarzschild orbit-based dynamical models are widely used to uncover the internal dynamics of early-type galaxies and globular clusters. Here we present for the first time the Schwarzschild models of late-type galaxies: an SBb galaxy NGC 4210 and an S0 galaxy NGC 6278 from the Calar Alto Legacy Integral Field Area (CALIFA) survey. The mass profiles within 2Re are constrained well with 1σ statistical error of ∼ 10 per cent. The luminous and dark mass can be disentangled with uncertainties of ∼20 and ∼ 50 per cent, respectively. From Re to 2Re, the dark matter fraction increases from 14 ± 10 to 18 ± 10 per cent for NGC 4210 and from 15 ± 10 to 30 ± 20 per cent for NGC 6278. The velocity anisotropy profiles of both σr/σt and σz/σR are well constrained. The inferred internal orbital distributions reveal clear substructures. The orbits are naturally separated into three components: a cold component with near circular orbits; a hot component with near radial orbits and a warm component in between. The photometrically identified exponential discs are predominantly made up of cold orbits only beyond ∼1Re, while they are constructed mainly with the warm orbits inside. Our dynamical hot components are concentrated in the inner regions, similar to the photometrically identified bulges. The reliability of the results, especially the orbit distribution, is verified by applying the model to mock data.

  12. Connecting orbits and invariant manifolds in the spatial restricted three-body problem

    NASA Astrophysics Data System (ADS)

    Gómez, G.; Koon, W. S.; Lo, M. W.; Marsden, J. E.; Masdemont, J.; Ross, S. D.

    2004-09-01

    The invariant manifold structures of the collinear libration points for the restricted three-body problem provide the framework for understanding transport phenomena from a geometrical point of view. In particular, the stable and unstable invariant manifold tubes associated with libration point orbits are the phase space conduits transporting material between primary bodies for separate three-body systems. These tubes can be used to construct new spacecraft trajectories, such as a 'Petit Grand Tour' of the moons of Jupiter. Previous work focused on the planar circular restricted three-body problem. This work extends the results to the three-dimensional case. Besides providing a full description of different kinds of libration motions in a large vicinity of these points, this paper numerically demonstrates the existence of heteroclinic connections between pairs of libration orbits, one around the libration point L1 and the other around L2. Since these connections are asymptotic orbits, no manoeuvre is needed to perform the transfer from one libration point orbit to the other. A knowledge of these orbits can be very useful in the design of missions such as the Genesis Discovery Mission, and may provide the backbone for other interesting orbits in the future.

  13. International Space Station: Meteoroid/Orbital Debris Survivability and Vulnerability

    NASA Technical Reports Server (NTRS)

    Graves, Russell

    2000-01-01

    This slide presentation reviews the surviability and vulnerability of the International Space Station (ISS) from the threat posed by meteoroid and orbital debris. The topics include: (1) Space station natural and induced environments (2) Meteoroid and orbital debris threat definition (3) Requirement definition (4) Assessment methods (5) Shield development and (6) Component vulnerability

  14. Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: A density functional theory

    NASA Astrophysics Data System (ADS)

    Govindasamy, P.; Gunasekaran, S.; Ramkumaar, G. R.

    2014-09-01

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of N-(4-hydroxy phenyl) acetamide (N4HPA) of painkiller agent were recorded in the region 4000-450 cm-1 and 4000-50 cm-1 respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameter, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p), 6-31++G(d,p), 6-311G(d,p) and 6-311++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes calculated using Vibrational energy distribution analysis (VEDA 4) program. The oscillator’s strength calculated by TD-DFT and N4HPA is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The molecular electrostatic potential (MESP) and electron density surfaces of the molecule were constructed. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like entropy, heat capacity and zero vibrational energy have been calculated.

  15. A close-pair binary in a distant triple supermassive black hole system.

    PubMed

    Deane, R P; Paragi, Z; Jarvis, M J; Coriat, M; Bernardi, G; Fender, R P; Frey, S; Heywood, I; Klöckner, H-R; Grainge, K; Rumsey, C

    2014-07-03

    Galaxies are believed to evolve through merging, which should lead to some hosting multiple supermassive black holes. There are four known triple black hole systems, with the closest black hole pair being 2.4 kiloparsecs apart (the third component in this system is at 3 kiloparsecs), which is far from the gravitational sphere of influence (about 100 parsecs for a black hole with mass one billion times that of the Sun). Previous searches for compact black hole systems concluded that they were rare, with the tightest binary system having a separation of 7 parsecs (ref. 10). Here we report observations of a triple black hole system at redshift z = 0.39, with the closest pair separated by about 140 parsecs and significantly more distant from Earth than any other known binary of comparable orbital separation. The effect of the tight pair is to introduce a rotationally symmetric helical modulation on the structure of the large-scale radio jets, which provides a useful way to search for other tight pairs without needing extremely high resolution observations. As we found this tight pair after searching only six galaxies, we conclude that tight pairs are more common than hitherto believed, which is an important observational constraint for low-frequency gravitational wave experiments.

  16. ORBITAL SOLUTIONS FOR TWO YOUNG, LOW-MASS SPECTROSCOPIC BINARIES IN OPHIUCHUS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rosero, V.; Prato, L.; Wasserman, L. H.

    2011-01-15

    We report the orbital parameters for ROXR1 14 and RX J1622.7-2325Nw, two young, low-mass, and double-lined spectroscopic binaries recently discovered in the Ophiuchus star-forming region. Accurate orbital solutions were determined from over a dozen high-resolution spectra taken with the Keck II and Gemini South telescopes. These objects are T Tauri stars with mass ratios close to unity and periods of {approx}5 and {approx}3 days, respectively. In particular, RX J1622.7-2325Nw shows a non-circularized orbit with an eccentricity of 0.30, higher than any other short-period pre-main-sequence (PMS) spectroscopic binary known to date. We speculate that the orbit of RX J1622.7-2325Nw has notmore » yet circularized because of the perturbing action of a {approx}1'' companion, itself a close visual pair. A comparison of known young spectroscopic binaries (SBs) and main-sequence (MS) SBs in the eccentricity-period plane shows an indistinguishable distribution of the two populations, implying that orbital circularization occurs in the first 1 Myr of a star's lifetime. With the results presented in this paper we increase by {approx}4% the small sample of PMS spectroscopic binary stars with known orbital elements.« less

  17. To pair or not to pair: chromosome pairing and evolution.

    PubMed

    Moore, G

    1998-04-01

    Chromosome pairing in wild-type wheat closely resembles the process in both yeast and Drosophila. The recent characterisation of a mutant Ph1 wheat and the observation that chromosome pairing in the absence of Ph1 more closely resembles that of mammals and maize has shed light on the evolution of chromosome pairing in the cereals.

  18. Generating a Double-Scroll Attractor by Connecting a Pair of Mutual Mirror-Image Attractors via Planar Switching Control

    NASA Astrophysics Data System (ADS)

    Sun, Changchun; Chen, Zhongtang; Xu, Qicheng

    2017-12-01

    An original three-dimensional (3D) smooth continuous chaotic system and its mirror-image system with eight common parameters are constructed and a pair of symmetric chaotic attractors can be generated simultaneously. Basic dynamical behaviors of two 3D chaotic systems are investigated respectively. A double-scroll chaotic attractor by connecting the pair of mutual mirror-image attractors is generated via a novel planar switching control approach. Chaos can also be controlled to a fixed point, a periodic orbit and a divergent orbit respectively by switching between two chaotic systems. Finally, an equivalent 3D chaotic system by combining two 3D chaotic systems with a switching law is designed by utilizing a sign function. Two circuit diagrams for realizing the double-scroll attractor are depicted by employing an improved module-based design approach.

  19. Spin-correlated doublet pairs as intermediate states in charge separation processes

    NASA Astrophysics Data System (ADS)

    Kraffert, Felix; Behrends, Jan

    2017-10-01

    Spin-correlated charge-carrier pairs play a crucial role as intermediate states in charge separation both in natural photosynthesis as well as in solar cells. Using transient electron paramagnetic resonance (trEPR) spectroscopy in combination with spectral simulations, we study spin-correlated polaron pairs in polymer:fullerene blends as organic solar cells materials. The semi-analytical simulations presented here are based on the well-established theoretical description of spin-correlated radical pairs in biological systems, however, explicitly considering the disordered nature of polymer:fullerene blends. The large degree of disorder leads to the fact that many different relative orientations between both polarons forming the spin-correlated pairs have to be taken into account. This has important implications for the spectra, which differ significantly from those of spin-correlated radical pairs with a fixed relative orientation. We systematically study the influence of exchange and dipolar couplings on the trEPR spectra and compare the simulation results to measured X- and Q-band trEPR spectra. Our results demonstrate that assuming dipolar couplings alone does not allow us to reproduce the experimental spectra. Due to the rather delocalised nature of polarons in conjugated organic semiconductors, a significant isotropic exchange coupling needs to be included to achieve good agreement between experiments and simulations.

  20. Interacting preformed Cooper pairs in resonant Fermi gases

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gubbels, K. B.; Radboud University Nijmegen, Institute for Molecules and Materials, Heyendaalseweg 135, NL-6525 AJ Nijmegen; Institute for Theoretical Physics, Utrecht University, Leuvenlaan 4, NL-3584 CE Utrecht

    2011-07-15

    We consider the normal phase of a strongly interacting Fermi gas, which can have either an equal or an unequal number of atoms in its two accessible spin states. Due to the unitarity-limited attractive interaction between particles with different spin, noncondensed Cooper pairs are formed. The starting point in treating preformed pairs is the Nozieres-Schmitt-Rink (NSR) theory, which approximates the pairs as being noninteracting. Here, we consider the effects of the interactions between the Cooper pairs in a Wilsonian renormalization-group scheme. Starting from the exact bosonic action for the pairs, we calculate the Cooper-pair self-energy by combining the NSR formalismmore » with the Wilsonian approach. We compare our findings with the recent experiments by Harikoshi et al. [Science 327, 442 (2010)] and Nascimbene et al. [Nature (London) 463, 1057 (2010)], and find very good agreement. We also make predictions for the population-imbalanced case, which can be tested in experiments.« less

  1. Pre-flight and On-orbit Geometric Calibration of the Lunar Reconnaissance Orbiter Camera

    NASA Astrophysics Data System (ADS)

    Speyerer, E. J.; Wagner, R. V.; Robinson, M. S.; Licht, A.; Thomas, P. C.; Becker, K.; Anderson, J.; Brylow, S. M.; Humm, D. C.; Tschimmel, M.

    2016-04-01

    The Lunar Reconnaissance Orbiter Camera (LROC) consists of two imaging systems that provide multispectral and high resolution imaging of the lunar surface. The Wide Angle Camera (WAC) is a seven color push-frame imager with a 90∘ field of view in monochrome mode and 60∘ field of view in color mode. From the nominal 50 km polar orbit, the WAC acquires images with a nadir ground sampling distance of 75 m for each of the five visible bands and 384 m for the two ultraviolet bands. The Narrow Angle Camera (NAC) consists of two identical cameras capable of acquiring images with a ground sampling distance of 0.5 m from an altitude of 50 km. The LROC team geometrically calibrated each camera before launch at Malin Space Science Systems in San Diego, California and the resulting measurements enabled the generation of a detailed camera model for all three cameras. The cameras were mounted and subsequently launched on the Lunar Reconnaissance Orbiter (LRO) on 18 June 2009. Using a subset of the over 793000 NAC and 207000 WAC images of illuminated terrain collected between 30 June 2009 and 15 December 2013, we improved the interior and exterior orientation parameters for each camera, including the addition of a wavelength dependent radial distortion model for the multispectral WAC. These geometric refinements, along with refined ephemeris, enable seamless projections of NAC image pairs with a geodetic accuracy better than 20 meters and sub-pixel precision and accuracy when orthorectifying WAC images.

  2. Orbital liquid in three-dimensional mott insulator: LaTiO3

    PubMed

    Khaliullin; Maekawa

    2000-10-30

    We present a theory of spin and orbital states in Mott insulator LaTiO3. The spin-orbital superexchange interaction between d(1)(t(2g)) ions in cubic crystal suffers from a pathological degeneracy of orbital states at the classical level. Quantum effects remove this degeneracy and result in the formation of the coherent ground state, in which the orbital moment of t(2g) level is fully quenched. We find a finite gap for orbital excitations. Such a disordered state of local degrees of freedom on unfrustrated, simple cubic lattice is highly unusual. Orbital liquid state naturally explains observed anomalies of LaTiO3.

  3. Orbital-selective Mott phases of a one-dimensional three-orbital Hubbard model studied using computational techniques

    DOE PAGES

    Liu, Guangkun; Kaushal, Nitin; Liu, Shaozhi; ...

    2016-06-24

    A recently introduced one-dimensional three-orbital Hubbard model displays orbital-selective Mott phases with exotic spin arrangements such as spin block states [J. Rincón et al., Phys. Rev. Lett. 112, 106405 (2014)]. In this paper we show that the constrained-path quantum Monte Carlo (CPQMC) technique can accurately reproduce the phase diagram of this multiorbital one-dimensional model, paving the way to future CPQMC studies in systems with more challenging geometries, such as ladders and planes. The success of this approach relies on using the Hartree-Fock technique to prepare the trial states needed in CPQMC. In addition, we study a simplified version of themore » model where the pair-hopping term is neglected and the Hund coupling is restricted to its Ising component. The corresponding phase diagrams are shown to be only mildly affected by the absence of these technically difficult-to-implement terms. This is confirmed by additional density matrix renormalization group and determinant quantum Monte Carlo calculations carried out for the same simplified model, with the latter displaying only mild fermion sign problems. Lastly, we conclude that these methods are able to capture quantitatively the rich physics of the several orbital-selective Mott phases (OSMP) displayed by this model, thus enabling computational studies of the OSMP regime in higher dimensions, beyond static or dynamic mean-field approximations.« less

  4. Identification and Characterization of Molecular Bonding Structures by ab initio Quasi-Atomic Orbital Analyses.

    PubMed

    West, Aaron C; Duchimaza-Heredia, Juan J; Gordon, Mark S; Ruedenberg, Klaus

    2017-11-22

    The quasi-atomic analysis of ab initio electronic wave functions in full valence spaces, which was developed in preceding papers, yields oriented quasi-atomic orbitals in terms of which the ab initio molecular wave function and energy can be expressed. These oriented quasi-atomic orbitals are the rigorous ab initio counterparts to the conceptual bond forming atomic hybrid orbitals of qualitative chemical reasoning. In the present work, the quasi-atomic orbitals are identified as bonding orbitals, lone pair orbitals, radical orbitals, vacant orbitals and orbitals with intermediate character. A program determines the bonding characteristics of all quasi-atomic orbitals in a molecule on the basis of their occupations, bond orders, kinetic bond orders, hybridizations and local symmetries. These data are collected in a record and provide the information for a comprehensive understanding of the synergism that generates the bonding structure that holds the molecule together. Applications to a series of molecules exhibit the complete bonding structures that are embedded in their ab initio wave functions. For the strong bonds in a molecule, the quasi-atomic orbitals provide quantitative ab initio amplifications of the Lewis dot symbols. Beyond characterizing strong bonds, the quasi-atomic analysis also yields an understanding of the weak interactions, such as vicinal, hyperconjugative and radical stabilizations, which can make substantial contributions to the molecular bonding structure.

  5. A probabilistic analysis of the implications of instrument failures on ESA's Swarm mission for its individual satellite orbit deployments

    NASA Astrophysics Data System (ADS)

    Jackson, Andrew

    2015-07-01

    On launch, one of Swarm's absolute scalar magnetometers (ASMs) failed to function, leaving an asymmetrical arrangement of redundant spares on different spacecrafts. A decision was required concerning the deployment of individual satellites into the low-orbit pair or the higher "lonely" orbit. I analyse the probabilities for successful operation of two of the science components of the Swarm mission in terms of a classical probabilistic failure analysis, with a view to concluding a favourable assignment for the satellite with the single working ASM. I concentrate on the following two science aspects: the east-west gradiometer aspect of the lower pair of satellites and the constellation aspect, which requires a working ASM in each of the two orbital planes. I use the so-called "expert solicitation" probabilities for instrument failure solicited from Mission Advisory Group (MAG) members. My conclusion from the analysis is that it is better to have redundancy of ASMs in the lonely satellite orbit. Although the opposite scenario, having redundancy (and thus four ASMs) in the lower orbit, increases the chance of a working gradiometer late in the mission; it does so at the expense of a likely constellation. Although the results are presented based on actual MAG members' probabilities, the results are rather generic, excepting the case when the probability of individual ASM failure is very small; in this case, any arrangement will ensure a successful mission since there is essentially no failure expected at all. Since the very design of the lower pair is to enable common mode rejection of external signals, it is likely that its work can be successfully achieved during the first 5 years of the mission.

  6. Multiconfigurational nature of 5f orbitals in uranium and plutonium intermetallics

    PubMed Central

    Booth, C.H.; Jiang, Yu; Wang, D.L.; Mitchell, J.N.; Tobash, P.H.; Bauer, E.D.; Wall, M.A.; Allen, P.G.; Sokaras, D.; Nordlund, D.; Weng, T.-C.; Torrez, M.A.; Sarrao, J.L.

    2012-01-01

    Uranium and plutonium’s 5f electrons are tenuously poised between strongly bonding with ligand spd-states and residing close to the nucleus. The unusual properties of these elements and their compounds (e.g., the six different allotropes of elemental plutonium) are widely believed to depend on the related attributes of f-orbital occupancy and delocalization for which a quantitative measure is lacking. By employing resonant X-ray emission spectroscopy (RXES) and X-ray absorption near-edge structure (XANES) spectroscopy and making comparisons to specific heat measurements, we demonstrate the presence of multiconfigurational f-orbital states in the actinide elements U and Pu and in a wide range of uranium and plutonium intermetallic compounds. These results provide a robust experimental basis for a new framework toward understanding the strongly-correlated behavior of actinide materials. PMID:22706643

  7. Orbital frustration induced unusual ordering in semiconductor alloys

    NASA Astrophysics Data System (ADS)

    Liu, Kai; Yin, Wanjian; Chen, Shiyou; Gong, Xingao; Wei, Suhuai; Xiang, Hongjun

    It is well known that ternary zinc-blende semiconductors are always more stable in the chalcopyrite (CH) structure than the Cu-Au (CA) structure because CH structure has large Coulomb interaction and reduced strain energy. Surprisingly, an experimental study showed that ZnFeSe2 alloy takes the CA order as the ground state structure, which is consistent with our density function theory (DFT) calculations showing that the CA order has lower energy than the CH order for ZnFeSe2. We reveal that the orbital degree of freedom of high-spin Fe2+ ion (d6) in the tetrahedral crystal field plays a key role in stabilizing the CA order. First, the spin-minority d electron of the Fe2+ ion tends to occupy the dx2-y 2 -like orbital instead of the d3z2 -r2 -like orbital because of its large negative Coulomb energy. Second, for a nearest-neighboring Fe2+ pair, two spin-minority d electrons with occupied dx2-y 2 -like orbitals in the plane containing the Fe-Fe bond has lower electronic kinetic energy. Both conditions can be satisfied in the CA ordered ZnFeSe2 alloy, while there is an orbital frustration in the CH structure. Our results suggest that orbital degree of freedom provides a new way to manipulate the structure and properties of alloys. Work at Fudan was supported by NSFC (11374056), the Special Funds for Major State Basic Research (2012CB921400, 2015CB921700), Program for Professor of Special Appointment (Eastern Scholar), and Fok Ying Tung Education Foundation.

  8. Triplet p + ip pairing correlations in the doped Kane-Mele-Hubbard model: A quantum Monte Carlo study

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ma, Tianxing; Lin, Hai-Qing; Gubernatis, James E.

    2015-09-01

    By using the constrained-phase quantum Monte Carlo method, we performed a systematic study of the pairing correlations in the ground state of the doped Kane-Mele-Hubbard model on a honeycomb lattice. We find that pairing correlations with d + id symmetry dominate close to half filling, but pairing correlations with p+ip symmetry dominate as hole doping moves the system below three-quarters filling. We correlate these behaviors of the pairing correlations with the topology of the Fermi surfaces of the non-interacting problem. We also find that the effective pairing correlation is enhanced greatly as the interaction increases, and these superconducting correlations aremore » robust against varying the spin-orbit coupling strength. Finally, our numerical results suggest a possible way to realize spin triplet superconductivity in doped honeycomb-like materials or ultracold atoms in optical traps.« less

  9. First Visual Orbit for the Prototypical Colliding-wind Binary WR 140

    NASA Astrophysics Data System (ADS)

    Monnier, John D.; Zhao, M.; Pedretti, E.; Millan-Gabet, R.; Berger, J.; Schloerb, F.; Traub, W.; ten Brummelaar, T.; McAlister, H.; Ridgway, S.; Turner, N.; Sturmann, L.; Sturmann, J.; Baron, F.; Tannirkulam, A.; Kraus, S.; Williams, P.

    2012-01-01

    Wolf-Rayet stars represent one of the final stages of massive stellar evolution. Relatively little is known about this short-lived phase and we currently lack reliable mass, distance, and binarity determinations for a representative sample. Here we report the first visual orbit for WR 140 (=HD193793), a WC7+O5 binary system known for its periodic dust production episodes triggered by intense colliding winds near periastron passage. The IOTA and CHARA interferometers resolved the pair of stars in each year from 2003--2009, covering most of the highly-eccentric, 7.9 year orbit. Combining our results with the recent improved double-line spectroscopic orbit of Fahed et al. (2011), we can estimate the distance to WR 140 with about 2% error and estimate component masses with about 4% error. Our precision orbit yields key parameters with uncertainties about 6 times smaller than previous work and paves the way for detailed modeling of the system. Our newly measured flux ratios at the near-infrared H and Ks bands allow an SED decomposition and analysis of the component evolutionary states.

  10. Long-Term Evolution of Orbits About a Precessing Oblate Planet: 3. A Semianalytical and a Purely Numerical Approach

    DTIC Science & Technology

    2007-11-01

    Keywords Orbital elements · Osculating elements · Mars · Natural satellites · Natural satellites’ orbits · Deimos · Equinoctial precession · The...theory of orbits about a precessing and nutating oblate planet, in terms of osculating elements defined in a frame associated with the equator of...solar-gravity-perturbed satellite orbiting an oblate planet subject to nonuniform equinoctial precession. This nonuniformity of precession is caused by

  11. Evidence for Orbital Decay of RX J1914.4+2456: Gravitational Radiation and the Nature of the X-Ray Emission

    NASA Technical Reports Server (NTRS)

    Strohmayer, Tod E.; White, Nicholas E. (Technical Monitor)

    2002-01-01

    RX J1914.4+2456 is a candidate double-degenerate binary (AM CVn) with a putative 569 s orbital period. If this identification is correct, then it has one of the shortest binary orbital periods known, and gravitational radiation should drive the orbital evolution and mass transfer if the binary is semi-detached. Here we report the results of a coherent timing study of the archival ROSAT data for RX J1914.4+2456. We performed a phase coherent timing analysis using all five ROSAT observations spanning a four-year period. We demonstrate that all the data can be phase connected, and we show that the 1.756 mHz orbital frequency is increasing at a rate of 1.5 +/- 0.4 x 10(exp -17) Hz/s consistent with the expected loss of angular momentum from the binary system via gravitational radiation. In addition to providing evidence for the emission of gravitational waves, our measurement of the orbital v(dot) constrains models for the X-ray emission and the nature of the secondary. If stable mass accretion drives the X-ray flux, then a positive v(dot) is inconsistent with a degenerate donor. A helium burning dwarf is compatible if indeed such systems can have periods as short as that of RX J1914.4+2456, an open theoretical question. Our measurement of a positive v(dot) is consistent with the unipolar induction model of Wu et al. which does not require accretion to drive the X-ray flux. We discuss how future timing measurements of RX J1914.4+2456 (and systems like it) with for example, Chandra and XMM-Newton, can provide a unique probe of the interaction between mass loss and gravitational radiation. We also discuss the importance of such measurements in the context of gravitational wave detection from space, such as is expected in the future with the LISA mission.

  12. The Nature of the Interactions in Triethanolammonium-Based Ionic Liquids. A Quantum Chemical Study.

    PubMed

    Fedorova, Irina V; Safonova, Lyubov P

    2018-05-10

    Structural features and interionic interactions play a crucial role in determining the overall stability of ionic liquids and their physicochemical properties. Therefore, we performed high-level quantum-chemical study of different cation-anion pairs representing the building units of protic ionic liquids based on triethanolammonium cation and anions of sulfuric, nitric, phosphoric, and phosphorus acids to provide essential insight into these phenomena at the molecular level. It was shown that every structure is stabilized through multiple H bonds between the protons in the N-H and O-H groups of the cation and different oxygen atoms of the anion acid. Using atoms in molecules topological parameters and natural bond orbital analysis, we determined the nature and strength of these interactions. Our calculations suggest that the N-H group of the cation has more proton donor-like character than the O-H group that makes the N-H···O hydrogen bonds stronger. A close relation between the binding energies of these ion pairs and experimental melting points was established: the smaller the absolute value of the binding energy between ions, the lower is the melting point.

  13. Regulatory versus coding signatures of natural selection in a candidate gene involved in the adaptive divergence of whitefish species pairs (Coregonus spp.)

    PubMed Central

    Jeukens, Julie; Bernatchez, Louis

    2012-01-01

    While gene expression divergence is known to be involved in adaptive phenotypic divergence and speciation, the relative importance of regulatory and structural evolution of genes is poorly understood. A recent next-generation sequencing experiment allowed identifying candidate genes potentially involved in the ongoing speciation of sympatric dwarf and normal lake whitefish (Coregonus clupeaformis), such as cytosolic malate dehydrogenase (MDH1), which showed both significant expression and sequence divergence. The main goal of this study was to investigate into more details the signatures of natural selection in the regulatory and coding sequences of MDH1 in lake whitefish and test for parallelism of these signatures with other coregonine species. Sequencing of the two regions in 118 fish from four sympatric pairs of whitefish and two cisco species revealed a total of 35 single nucleotide polymorphisms (SNPs), with more genetic diversity in European compared to North American coregonine species. While the coding region was found to be under purifying selection, an SNP in the proximal promoter exhibited significant allele frequency divergence in a parallel manner among independent sympatric pairs of North American lake whitefish and European whitefish (C. lavaretus). According to transcription factor binding simulation for 22 regulatory haplotypes of MDH1, putative binding profiles were fairly conserved among species, except for the region around this SNP. Moreover, we found evidence for the role of this SNP in the regulation of MDH1 expression level. Overall, these results provide further evidence for the role of natural selection in gene regulation evolution among whitefish species pairs and suggest its possible link with patterns of phenotypic diversity observed in coregonine species. PMID:22408741

  14. Regulatory versus coding signatures of natural selection in a candidate gene involved in the adaptive divergence of whitefish species pairs (Coregonus spp.).

    PubMed

    Jeukens, Julie; Bernatchez, Louis

    2012-01-01

    While gene expression divergence is known to be involved in adaptive phenotypic divergence and speciation, the relative importance of regulatory and structural evolution of genes is poorly understood. A recent next-generation sequencing experiment allowed identifying candidate genes potentially involved in the ongoing speciation of sympatric dwarf and normal lake whitefish (Coregonus clupeaformis), such as cytosolic malate dehydrogenase (MDH1), which showed both significant expression and sequence divergence. The main goal of this study was to investigate into more details the signatures of natural selection in the regulatory and coding sequences of MDH1 in lake whitefish and test for parallelism of these signatures with other coregonine species. Sequencing of the two regions in 118 fish from four sympatric pairs of whitefish and two cisco species revealed a total of 35 single nucleotide polymorphisms (SNPs), with more genetic diversity in European compared to North American coregonine species. While the coding region was found to be under purifying selection, an SNP in the proximal promoter exhibited significant allele frequency divergence in a parallel manner among independent sympatric pairs of North American lake whitefish and European whitefish (C. lavaretus). According to transcription factor binding simulation for 22 regulatory haplotypes of MDH1, putative binding profiles were fairly conserved among species, except for the region around this SNP. Moreover, we found evidence for the role of this SNP in the regulation of MDH1 expression level. Overall, these results provide further evidence for the role of natural selection in gene regulation evolution among whitefish species pairs and suggest its possible link with patterns of phenotypic diversity observed in coregonine species.

  15. Navigation of the GRAIL Spacecraft Pair Through the Extended Mission at the Moon

    NASA Technical Reports Server (NTRS)

    Goodson, Troy D.; Antreasian, Peter G.; Bhat, Ram S.; Chung, Min-Kun; Criddle, Kevin E.; Hatch, Sara J.; Jefferson, David C.; Lau, Eunice L.; Roncoli, Ralph B.; Ryne, Mark S.; hide

    2013-01-01

    The GRAIL extended mission (XM) dramatically expands the scope of GRAIL's gravity science investigation by flying the pair of spacecraft at the lowest orbit the flight team can safely support. From the perspective of the Navigation team, the low orbit altitude introduces new challenges. At this lower altitude, navigation is more sensitive to higher-order terms of the gravity field so that orbit determination solutions are more difficult and there is less certainty of achieving maneuver targets. This paper reports on the strategy and performance of the Navigation system for GRAIL's XM. On a weekly basis, the Navigation team provided reference trajectory updates, designed three maneuvers, and reconstructed the execution of those maneuvers. In all, the XM involved 55 planned maneuvers; five were canceled. The results of the Navigation team's efforts, in terms of maintaining the reference-trajectory targets, satisfying requirements, and achieving desired separation distances, are assessed.

  16. Thermodynamics of pairing in mesoscopic systems

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sumaryada, Tony; Volya, Alexander

    Using numerical and analytical methods implemented for different models, we conduct a systematic study of the thermodynamic properties of pairing correlations in mesoscopic nuclear systems. Various quantities are calculated and analyzed using the exact solution of pairing. An in-depth comparison of canonical, grand canonical, and microcanonical ensembles is conducted. The nature of the pairing phase transition in a small system is of a particular interest. We discuss the onset of discontinuity in the thermodynamic variables, fluctuations, and evolution of zeros of the canonical and grand canonical partition functions in the complex plane. The behavior of the invariant correlational entropy ismore » also studied in the transitional region of interest. The change in the character of the phase transition due to the presence of a magnetic field is discussed along with studies of superconducting thermodynamics.« less

  17. Shake for Sigma, Pray for Pi: Classroom Orbital Overlap Analogies

    ERIC Educational Resources Information Center

    Dicks, Andrew P.

    2011-01-01

    An introductory organic classroom demonstration is discussed where analogies are made between common societal hand contact and covalent bond formation. A handshake signifies creation of a [sigma] bond ("head-on" orbital overlap), whereas the action of praying illustrates "sideways" overlap and generation of a [pi] bond. The nature of orbital and…

  18. Physics of higher orbital bands in optical lattices: a review.

    PubMed

    Li, Xiaopeng; Liu, W Vincent

    2016-11-01

    The orbital degree of freedom plays a fundamental role in understanding the unconventional properties in solid state materials. Experimental progress in quantum atomic gases has demonstrated that high orbitals in optical lattices can be used to construct quantum emulators of exotic models beyond natural crystals, where novel many-body states such as complex Bose-Einstein condensates and topological semimetals emerge. A brief introduction of orbital degrees of freedom in optical lattices is given and a summary of exotic orbital models and resulting many-body phases is provided. Experimental consequences of the novel phases are also discussed.

  19. Linear separability in superordinate natural language concepts.

    PubMed

    Ruts, Wim; Storms, Gert; Hampton, James

    2004-01-01

    Two experiments are reported in which linear separability was investigated in superordinate natural language concept pairs (e.g., toiletry-sewing gear). Representations of the exemplars of semantically related concept pairs were derived in two to five dimensions using multidimensional scaling (MDS) of similarities based on possession of the concept features. Next, category membership, obtained from an exemplar generation study (in Experiment 1) and from a forced-choice classification task (in Experiment 2) was predicted from the coordinates of the MDS representation using log linear analysis. The results showed that all natural kind concept pairs were perfectly linearly separable, whereas artifact concept pairs showed several violations. Clear linear separability of natural language concept pairs is in line with independent cue models. The violations in the artifact pairs, however, yield clear evidence against the independent cue models.

  20. Surveillance of medium and high Earth orbits using large baseline stereovision

    NASA Astrophysics Data System (ADS)

    Danescu, Radu; Ciurte, Anca; Oniga, Florin; Cristea, Octavian; Dolea, Paul; Dascal, Vlad; Turcu, Vlad; Mircea, Liviu; Moldovan, Dan

    2014-11-01

    The Earth is surrounded by a swarm of satellites and associated debris known as Resident Space Objects (RSOs). All RSOs will orbit the Earth until they reentry into Earth's atmosphere. There are three main RSO categories: Low Earth Orbit (LEO), when the satellite orbits at an altitude below 1 500 km; a Medium Earth Orbit (MEO) for Global Navigation Satellite Systems (GNSS) at an altitude of around 20 000 km, and a Geostationary Earth Orbit (GEO) (also sometimes called the Clarke orbit), for geostationary satellites, at an altitude of 36 000 km. The Geostationary Earth Orbits and the orbits of higher altitude are also known as High Earth Orbits (HEO). Crucial for keeping an eye on RSOs, the Surveillance of Space (SofS) comprises detection, tracking, propagation of orbital parameters, cataloguing and analysis of these objects. This paper presents a large baseline stereovision based approach for detection and ranging of RSO orbiting at medium to high altitudes. Two identical observation systems, consisting of camera, telescope, control computer and GPS receiver are located 37 km apart, and set to observe the same region of the sky. The telescopes are placed on equatorial mounts able to compensate for the Earth's rotation, so that the stars appear stationary in the acquired images, and the satellites will appear as linear streaks. The two cameras are triggered simultaneously. The satellite streaks are detected in each image of the stereo pair using its streak-like appearance against point-like stars, the motion of the streaks between successive frames, and the stereo disparity. The detected satellite pixels are then put into correspondence using the epipolar geometry, and the 3D position of the satellite in the Earth Center, Earth Fixed (ECEF) reference frame is computed using stereo triangulation. Preliminary tests have been performed, for both MEO and HEO orbits. The preliminary results indicate a very high detection rate for MEO orbits, and good detection rate for

  1. Fundamentals of the orbit and response for TianQin

    NASA Astrophysics Data System (ADS)

    Hu, Xin-Chun; Li, Xiao-Hong; Wang, Yan; Feng, Wen-Fan; Zhou, Ming-Yue; Hu, Yi-Ming; Hu, Shou-Cun; Mei, Jian-Wei; Shao, Cheng-Gang

    2018-05-01

    TianQin is a space-based laser interferometric gravitational wave detector aimed at detecting gravitational waves at low frequencies (0.1 mHz–1 Hz). It is formed by three identical drag-free spacecrafts in an equilateral triangular constellation orbiting around the Earth. The distance between each pair of spacecrafts is approximately 1.7 × 105 ~km . The spacecrafts are interconnected by infrared laser beams forming up to three Michelson-type interferometers. The detailed mission design and the study of science objectives for the TianQin project depend crucially on the orbit and the response of the detector. In this paper, we provide the analytic expressions for the coordinates of the orbit for each spacecraft in the heliocentric-ecliptic coordinate system to the leading orders. This enables a sufficiently accurate study of science objectives and data analysis, and serves as a first step to further orbit design and optimization. We calculate the response of a single Michelson detector to plane gravitational waves in arbitrary waveform which is valid in the full range of the sensitive frequencies. It is then used to generate the more realistic sensitivity curve of TianQin. We apply this model on a reference white-dwarf binary as a proof of principle.

  2. Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: a density functional theory.

    PubMed

    Govindasamy, P; Gunasekaran, S; Ramkumaar, G R

    2014-09-15

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of N-(4-hydroxy phenyl) acetamide (N4HPA) of painkiller agent were recorded in the region 4000-450 cm(-1) and 4000-50 cm(-1) respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameter, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p), 6-31++G(d,p), 6-311G(d,p) and 6-311++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes calculated using Vibrational energy distribution analysis (VEDA 4) program. The oscillator's strength calculated by TD-DFT and N4HPA is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The molecular electrostatic potential (MESP) and electron density surfaces of the molecule were constructed. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like entropy, heat capacity and zero vibrational energy have been calculated. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Low-energy transfers to cislunar periodic orbits visiting triangular libration points

    NASA Astrophysics Data System (ADS)

    Lei, Hanlun; Xu, Bo

    2018-01-01

    This paper investigates the cislunar periodic orbits that pass through triangular libration points of the Earth-Moon system and studies the techniques on design low-energy transfer trajectories. In order to compute periodic orbits, families of impulsive transfers between triangular libration points are taken to generate the initial guesses of periodic orbits, and multiple shooting techniques are applied to solving the problem. Then, varieties of periodic orbits in cislunar space are obtained, and stability analysis shows that the majority of them are unstable. Among these periodic orbits, an unstable periodic orbit in near 3:2 resonance with the Moon is taken as the nominal orbit of an assumed mission. As the stable manifolds of the target orbit could approach the Moon, low-energy transfer trajectories can be designed by combining lunar gravity assist with the invariant manifold structure of the target orbit. In practice, both the natural and perturbed invariant manifolds are considered to obtain the low-energy transfers, which are further refined to the Sun-perturbed Earth-Moon system. Results indicate that (a) compared to the case of natural invariant manifolds, the optimal transfers using perturbed invariant manifolds could reduce flight time at least 50 days, (b) compared to the cheapest direct transfer, the optimal low-energy transfer obtained by combining lunar gravity assist and invariant manifolds could save on-board fuel consumption more than 200 m/s, and (c) by taking advantage of the gravitational perturbation of the Sun, the low-energy transfers could save more fuel consumption than the corresponding ones obtained in the Earth-Moon system.

  4. Isoscalar neutron-proton pairing and SU(4)-symmetry breaking in Gamow-Teller transitions

    NASA Astrophysics Data System (ADS)

    Kaneko, K.; Sun, Y.; Mizusaki, T.

    2018-05-01

    The isoscalar neutron-proton pairing is thought to be important for nuclei with equal number of protons and neutrons but its manifestation in structure properties remains to be understood. We investigate the Gamow-Teller (GT) transitions for the f7 /2-shell nuclei in large-scale shell-model calculations with the realistic Hamiltonian. We show that the isoscalar T =0 ,Jπ=1+ neutron-proton pairing interaction plays a decisive role for the concentration of GT strengths at the first-excited 11+ state in 42Sc, and that the suppression of these strengths in 46V, 50Mn, and 54Co is mainly caused by the spin-orbit force supplemented by the quadrupole-quadrupole interaction. Based on the good reproduction of the charge-exchange reaction data, we further analyze the interplay between the isoscalar and isovector pairing correlations. We conclude that even for the most promising A =42 nuclei where the SU(4) isoscalar-isovector-pairing symmetry is less broken, the probability of forming an isoscalar neutron-proton pairing condensation is less than 60% as compared to the expectation at the SU(4)-symmetry limit.

  5. Topological phase transition in the quench dynamics of a one-dimensional Fermi gas with spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Wang, Pei; Yi, Wei; Xianlong, Gao

    2015-01-01

    We study the quench dynamics of a one-dimensional ultracold Fermi gas with synthetic spin-orbit coupling. At equilibrium, the ground state of the system can undergo a topological phase transition and become a topological superfluid with Majorana edge states. As the interaction is quenched near the topological phase boundary, we identify an interesting dynamical phase transition of the quenched state in the long-time limit, characterized by an abrupt change of the pairing gap at a critical quenched interaction strength. We further demonstrate the topological nature of this dynamical phase transition from edge-state analysis of the quenched states. Our findings provide interesting clues for the understanding of topological phase transitions in dynamical processes, and can be useful for the dynamical detection of Majorana edge states in corresponding systems.

  6. Orbit correction in a linear nonscaling fixed field alternating gradient accelerator

    DOE PAGES

    Kelliher, D. J.; Machida, S.; Edmonds, C. S.; ...

    2014-11-20

    In a linear non-scaling FFAG the large natural chromaticity of the machine results in a betatron tune that varies by several integers over the momentum range. In addition, orbit correction is complicated by the consequent variation of the phase advance between lattice elements. Here we investigate how the correction of multiple closed orbit harmonics allows correction of both the COD and the accelerated orbit distortion over the momentum range.

  7. Investigating the Merits of Pair Work on a Text Editing Task in ESL Classes

    ERIC Educational Resources Information Center

    Storch, Neomy

    2007-01-01

    Although the literature on language pedagogy encourages the use of pair work in the second language classroom, students sometimes seem reluctant to work in pairs, particularly on grammar-focused tasks. This study investigated the merits of pair work by comparing pair and individual work on an editing task and by analysing the nature of pair…

  8. Constraining the Orbits of the Supermassive Binary Blackhole Pair 0402+379

    NASA Astrophysics Data System (ADS)

    Holland, Ben; Peck, Alison B.; Taylor, Gregory B.; Zavala, Robert T.; Romani, Roger W.

    2015-01-01

    Galaxy mergers are a relatively common occurrence in the Universe. Given that most large galaxies harbor supermassive black holes in their centers, it should follow that two supermassive black holes could be found in the centers of galaxies that have recently undergone a merger event. Supermassive black hole binaries (SMBHB) with small separation (referred to as "tight binaries"), however, are quite rare, implying that the mergers happen less often than we think, or that the binary black hole merger happens much more quickly than expected from simulations. We present observations of one of the best candidates for a tight SMBHB, 0402+379, made in 2003, 2005, and 2009 using the VLBA at 3 frequencies, and report on their apparent relative component motions over this time frame. Additionally, these results are compared to earlier observations of 0402+379 which can help establish a long time baseline. This information, although still preliminary, can be used to provide constraints on the orbits of this binary system which in turn may yield insight as to why these binary systems are not significantly more commonly detected in, for example, ULIRGs in the late stages of merger.

  9. On the origin of dual Lax pairs and their r-matrix structure

    NASA Astrophysics Data System (ADS)

    Avan, Jean; Caudrelier, Vincent

    2017-10-01

    We establish the algebraic origin of the following observations made previously by the authors and coworkers: (i) A given integrable PDE in 1 + 1 dimensions within the Zakharov-Shabat scheme related to a Lax pair can be cast in two distinct, dual Hamiltonian formulations; (ii) Associated to each formulation is a Poisson bracket and a phase space (which are not compatible in the sense of Magri); (iii) Each matrix in the Lax pair satisfies a linear Poisson algebra a la Sklyanin characterized by the same classical r matrix. We develop the general concept of dual Lax pairs and dual Hamiltonian formulation of an integrable field theory. We elucidate the origin of the common r-matrix structure by tracing it back to a single Lie-Poisson bracket on a suitable coadjoint orbit of the loop algebra sl(2 , C) ⊗ C(λ ,λ-1) . The results are illustrated with the examples of the nonlinear Schrödinger and Gerdjikov-Ivanov hierarchies.

  10. A simple molecular orbital treatment of current distributions in quantum transport through molecular junctions

    NASA Astrophysics Data System (ADS)

    Jhan, Sin-Mu; Jin, Bih-Yaw

    2017-11-01

    A simple molecular orbital treatment of local current distributions inside single molecular junctions is developed in this paper. Using the first-order perturbation theory and nonequilibrium Green's function techniques in the framework of Hückel theory, we show that the leading contributions to local current distributions are directly proportional to the off-diagonal elements of transition density matrices. Under the orbital approximation, the major contributions to local currents come from a few dominant molecular orbital pairs which are mixed by the interactions between the molecule and electrodes. A few simple molecular junctions consisting of single- and multi-ring conjugated systems are used to demonstrate that local current distributions inside molecular junctions can be decomposed by partial sums of a few leading contributing transition density matrices.

  11. Using GEO Optical Observations to Infer Orbit Populations

    NASA Technical Reports Server (NTRS)

    Matney, Mark; Africano, John

    2002-01-01

    NASA's Orbital Debris measurements program has a goal to characterize the small debris environment in the geosynchronous Earth-orbit (GEO) region using optical telescopes ("small" refers to objects too small to catalog and track with current systems). Traditionally, observations of GEO and near-GEO objects involve following the object with the telescope long enough to obtain an orbit. When observing very dim objects with small field-of-view telescopes, though, the observations are generally too short to obtain accurate orbital elements. However, it is possible to use such observations to statistically characterize the small object environment. A telescope pointed at a particular spot could potentially see objects in a number of different orbits. Inevitably, when looking at one region for certain types of orbits, there are objects in other types of orbits that cannot be seen. Observation campaigns are designed with these limitations in mind and are set up to span a number of regions of the sky, making it possible to sample all potential orbits under consideration. Each orbit is not seen with the same probability, however, so there are observation biases intrinsic to any observation campaign. Fortunately, it is possible to remove such biases and reconstruct a meaningful estimate of the statistical orbit populations of small objects in GEO. This information, in turn, can be used to investigate the nature of debris sources and to characterize the risk to GEO spacecraft. This paper describes these statistical tools and presents estimates of small object GEO populations.

  12. Structural landscape of base pairs containing post-transcriptional modifications in RNA

    PubMed Central

    Seelam, Preethi P.; Sharma, Purshotam

    2017-01-01

    Base pairs involving post-transcriptionally modified nucleobases are believed to play important roles in a wide variety of functional RNAs. Here we present our attempts toward understanding the structural and functional role of naturally occurring modified base pairs using a combination of X-ray crystal structure database analysis, sequence analysis, and advanced quantum chemical methods. Our bioinformatics analysis reveals that despite their presence in all major secondary structural elements, modified base pairs are most prevalent in tRNA crystal structures and most commonly involve guanine or uridine modifications. Further, analysis of tRNA sequences reveals additional examples of modified base pairs at structurally conserved tRNA regions and highlights the conservation patterns of these base pairs in three domains of life. Comparison of structures and binding energies of modified base pairs with their unmodified counterparts, using quantum chemical methods, allowed us to classify the base modifications in terms of the nature of their electronic structure effects on base-pairing. Analysis of specific structural contexts of modified base pairs in RNA crystal structures revealed several interesting scenarios, including those at the tRNA:rRNA interface, antibiotic-binding sites on the ribosome, and the three-way junctions within tRNA. These scenarios, when analyzed in the context of available experimental data, allowed us to correlate the occurrence and strength of modified base pairs with their specific functional roles. Overall, our study highlights the structural importance of modified base pairs in RNA and points toward the need for greater appreciation of the role of modified bases and their interactions, in the context of many biological processes involving RNA. PMID:28341704

  13. Spin-orbital quantum liquid on the honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Corboz, Philippe

    2013-03-01

    The symmetric Kugel-Khomskii can be seen as a minimal model describing the interactions between spin and orbital degrees of freedom in transition-metal oxides with orbital degeneracy, and it is equivalent to the SU(4) Heisenberg model of four-color fermionic atoms. We present simulation results for this model on various two-dimensional lattices obtained with infinite projected-entangled pair states (iPEPS), an efficient variational tensor-network ansatz for two dimensional wave functions in the thermodynamic limit. This approach can be seen as a two-dimensional generalization of matrix product states - the underlying ansatz of the density matrix renormalization group method. We find a rich variety of exotic phases: while on the square and checkerboard lattices the ground state exhibits dimer-Néel order and plaquette order, respectively, quantum fluctuations on the honeycomb lattice destroy any order, giving rise to a spin-orbital liquid. Our results are supported from flavor-wave theory and exact diagonalization. Furthermore, the properties of the spin-orbital liquid state on the honeycomb lattice are accurately accounted for by a projected variational wave-function based on the pi-flux state of fermions on the honeycomb lattice at 1/4-filling. In that state, correlations are algebraic because of the presence of a Dirac point at the Fermi level, suggesting that the ground state is an algebraic spin-orbital liquid. This model provides a good starting point to understand the recently discovered spin-orbital liquid behavior of Ba3CuSb2O9. The present results also suggest to choose optical lattices with honeycomb geometry in the search for quantum liquids in ultra-cold four-color fermionic atoms. We acknowledge the financial support from the Swiss National Science Foundation.

  14. Dynamical Evolution and Spin-Orbit Resonances of Potentially Habitable Exoplanets. The Case of GJ 667C

    DTIC Science & Technology

    2014-01-10

    observed trend is consistent with a gravitational acceleration exerted by the inner pair of stars (A and B) in this multiple star system. Our planet...the other hand, the observed trend in the RV of the C component can be caused by its orbital acceleration around the AB pair. 3. LONG-TERM EVOLUTION...polar torque acting on a rotating planet is the sum of the gravitational torque, caused by the triaxial permanent shape and the corresponding quadrupole

  15. Utilizing Solar Power Technologies for On-Orbit Propellant Production

    NASA Technical Reports Server (NTRS)

    Fikes, John C.; Howell, Joe T.; Henley, Mark W.

    2006-01-01

    The cost of access to space beyond low Earth orbit may be reduced if vehicles can refuel in orbit. The cost of access to low Earth orbit may also be reduced by launching oxygen and hydrogen propellants in the form of water. To achieve this reduction in costs of access to low Earth orbit and beyond, a propellant depot is considered that electrolyzes water in orbit, then condenses and stores cryogenic oxygen and hydrogen. Power requirements for such a depot require Solar Power Satellite technologies. A propellant depot utilizing solar power technologies is discussed in this paper. The depot will be deployed in a 400 km circular equatorial orbit. It receives tanks of water launched into a lower orbit from Earth, converts the water to liquid hydrogen and oxygen, and stores up to 500 metric tons of cryogenic propellants. This requires a power system that is comparable to a large Solar Power Satellite capable of several 100 kW of energy. Power is supplied by a pair of solar arrays mounted perpendicular to the orbital plane, which rotates once per orbit to track the Sun. The majority of the power is used to run the electrolysis system. Thermal control is maintained by body-mounted radiators; these also provide some shielding against orbital debris. The propellant stored in the depot can support transportation from low Earth orbit to geostationary Earth orbit, the Moon, LaGrange points, Mars, etc. Emphasis is placed on the Water-Ice to Cryogen propellant production facility. A very high power system is required for cracking (electrolyzing) the water and condensing and refrigerating the resulting oxygen and hydrogen. For a propellant production rate of 500 metric tons (1,100,000 pounds) per year, an average electrical power supply of 100 s of kW is required. To make the most efficient use of space solar power, electrolysis is performed only during the portion of the orbit that the Depot is in sunlight, so roughly twice this power level is needed for operations in sunlight

  16. orbit-estimation: Fast orbital parameters estimator

    NASA Astrophysics Data System (ADS)

    Mackereth, J. Ted; Bovy, Jo

    2018-04-01

    orbit-estimation tests and evaluates the Stäckel approximation method for estimating orbit parameters in galactic potentials. It relies on the approximation of the Galactic potential as a Stäckel potential, in a prolate confocal coordinate system, under which the vertical and horizontal motions decouple. By solving the Hamilton Jacobi equations at the turning points of the horizontal and vertical motions, it is possible to determine the spatial boundary of the orbit, and hence calculate the desired orbit parameters.

  17. The orbital period of the dwarf nova AF Camelopardalis

    NASA Astrophysics Data System (ADS)

    Szkody, Paula; Howell, Steve B.

    1989-04-01

    Time-resolved optical spectroscopy of the dwarf nova AF Cam for 4.5 hr during a decline from outburst reveals that the orbital period is relatively long (5-6 hr). CCD photometry at quiescence also supports this finding. This rules out the previously observed 67-76 min modulations (evident in IR photometric measurements at quiescence and optical photometry at outburst) as orbital in nature.

  18. The Hot Orbit: Orbital Cellulitis

    PubMed Central

    Chaudhry, Imtiaz A.; Al-Rashed, Waleed; Arat, Yonca O.

    2012-01-01

    Orbital cellulitis is an uncommon condition previously associated with severe complications. If untreated, orbital cellulitis can be potentially sight and life threatening. It can affect both adults and children but has a greater tendency to occur in the pediatric age group. The infection most commonly originates from sinuses, eyelids or face, retained foreign bodies, or distant soources by hematogenous spread. It is characterized by eyelid edema, erythema, chemosis, proptosis, blurred vision, fever, headache, and double vision. A history of upper respiratory tract infection prior to the onset is very common especially in children. In the era prior to antibiotics, vision loss from orbital cellulitis was a dreaded complication. Currently, imaging studies for detection of orbital abcess, the use of antibiotics and early drainage have mitigated visual morbidity significantly. The purpose of this review is to describe current investigative strategies and management options in the treatment of orbital cellulitis, establish their effectiveness and possible complications due to late intervention. PMID:22346113

  19. A simultaneous estimation of the mass of Mars and its natural satellites, Phobos and Deimos, from the orbital perturbations on the Mariner 9, Viking 1, and Viking 2 orbiters

    NASA Technical Reports Server (NTRS)

    Lemoine, F. G.; Smith, D. E.; Fricke, S. K.; Mccarthy, J. J.

    1993-01-01

    The natural satellites of Mars, Phobos and Deimos, caused perturbations on the orbits of the Mariner 9, and the Viking spacecraft that were used to estimate the satellite masses. The Viking spacecraft were specifically targeted to make close flybys (within a few hundred kilometers) of Phobos in February 1977 and of Deimos in October 1977. These close encounters were used to estimate the moon's gravitational constant, GM (the universal constant of gravitation multiplied by the satellite mass). However, the Viking and Mariner 9 spacecraft made numerous flybys of Phobos and Deimos at distances of a few thousand kilometers. The tracking data from these more 'distant' encounters were processed to estimate the masses of Mars, Phobos, and Deimos.

  20. Partially chaotic orbits in a perturbed cubic force model

    NASA Astrophysics Data System (ADS)

    Muzzio, J. C.

    2017-11-01

    Three types of orbits are theoretically possible in autonomous Hamiltonian systems with 3 degrees of freedom: fully chaotic (they only obey the energy integral), partially chaotic (they obey an additional isolating integral besides energy) and regular (they obey two isolating integrals besides energy). The existence of partially chaotic orbits has been denied by several authors, however, arguing either that there is a sudden transition from regularity to full chaoticity or that a long enough follow-up of a supposedly partially chaotic orbit would reveal a fully chaotic nature. This situation needs clarification, because partially chaotic orbits might play a significant role in the process of chaotic diffusion. Here we use numerically computed Lyapunov exponents to explore the phase space of a perturbed three-dimensional cubic force toy model, and a generalization of the Poincaré maps to show that partially chaotic orbits are actually present in that model. They turn out to be double orbits joined by a bifurcation zone, which is the most likely source of their chaos, and they are encapsulated in regions of phase space bounded by regular orbits similar to each one of the components of the double orbit.

  1. Double cyclic variations in orbital period of the eclipsing cataclysmic variable EX Dra

    NASA Astrophysics Data System (ADS)

    Han, Zhong-tao; Qian, Sheng-bang; Voloshina, Irina; Zhu, Li-Ying

    2017-06-01

    EX Dra is a long-period eclipsing dwarf nova with ˜2-3 mag amplitude outbursts. This star has been monitored photometrically from November, 2009 to March, 2016 and 29 new mid-eclipse times were obtained. By using new data together with the published data, the best fit to the O-C curve indicate that the orbital period of EX Dra have an upward parabolic change while undergoing double-cyclic variations with the periods of 21.4 and 3.99 years, respectively. The upward parabolic change reveals a long-term increase at a rate of \\dot{P}= {+7.46}×10^{-11} s s^{-1}. The evolutionary theory of cataclysmic variables (CVs) predicts that, as a CV evolves, the orbital period should be decreasing rather than increasing. Secular increase can be explained as the mass transfer between the secondary and primary or may be just an observed part of a longer cyclic change. Most plausible explanation for the double-cyclic variations is a pair of light travel-time effect via the presence of two companions. Their masses are determined to be MAsin i'A=29.3(±0.6) M_{Jup} and MBsin i'B=50.8(±0.2) M_{Jup}. When the two companions are coplanar to the orbital plane of the central eclipsing pair, their masses would match to brown dwarfs.

  2. Lunar Reconnaissance Orbiter Orbit Determination Accuracy Analysis

    NASA Technical Reports Server (NTRS)

    Slojkowski, Steven E.

    2014-01-01

    Results from operational OD produced by the NASA Goddard Flight Dynamics Facility for the LRO nominal and extended mission are presented. During the LRO nominal mission, when LRO flew in a low circular orbit, orbit determination requirements were met nearly 100% of the time. When the extended mission began, LRO returned to a more elliptical frozen orbit where gravity and other modeling errors caused numerous violations of mission accuracy requirements. Prediction accuracy is particularly challenged during periods when LRO is in full-Sun. A series of improvements to LRO orbit determination are presented, including implementation of new lunar gravity models, improved spacecraft solar radiation pressure modeling using a dynamic multi-plate area model, a shorter orbit determination arc length, and a constrained plane method for estimation. The analysis presented in this paper shows that updated lunar gravity models improved accuracy in the frozen orbit, and a multiplate dynamic area model improves prediction accuracy during full-Sun orbit periods. Implementation of a 36-hour tracking data arc and plane constraints during edge-on orbit geometry also provide benefits. A comparison of the operational solutions to precision orbit determination solutions shows agreement on a 100- to 250-meter level in definitive accuracy.

  3. Topological superfluids with finite-momentum pairing and Majorana fermions.

    PubMed

    Qu, Chunlei; Zheng, Zhen; Gong, Ming; Xu, Yong; Mao, Li; Zou, Xubo; Guo, Guangcan; Zhang, Chuanwei

    2013-01-01

    Majorana fermions (MFs), quantum particles that are their own antiparticles, are not only of fundamental importance in elementary particle physics and dark matter, but also building blocks for fault-tolerant quantum computation. Recently MFs have been intensively studied in solid state and cold atomic systems. These studies are generally based on superconducting pairing with zero total momentum. On the other hand, finite total momentum Cooper pairings, known as Fulde-Ferrell (FF) Larkin-Ovchinnikov (LO) states, were widely studied in many branches of physics. However, whether FF and LO superconductors can support MFs has not been explored. Here we show that MFs can exist in certain types of gapped FF states, yielding a new quantum matter: topological FF superfluids/superconductors. We demonstrate the existence of such topological FF superfluids and the associated MFs using spin-orbit-coupled degenerate Fermi gases and derive their parameter regions. The implementation of topological FF superconductors in semiconductor/superconductor heterostructures is also discussed.

  4. Orbital cellulitis: a rare complication after orbital blowout fracture.

    PubMed

    Ben Simon, Guy J; Bush, Steven; Selva, Dinesh; McNab, Alan A

    2005-11-01

    To report the incidence of orbital cellulitis after orbital blowout fracture. Retrospective, noncomparative, interventional case series. All patients with orbital cellulitis and a history of recent orbital fracture. A medical record review of clinical history, imaging studies, and surgical and treatment outcome was performed. Resolution of orbital cellulitis and surgical and imaging findings. Four patients (3 male; mean age, 30 years [range, 4.5-58]) were treated for orbital cellulitis complicating orbital fracture. All patients had evidence of paranasal sinusitis before or after the orbital injury, and 2 also reported forceful nose blowing after sustaining orbital trauma. Although 3 patients received prophylactic oral antibiotics after the fracture, this failed to prevent infection. Sinusitis commenced 1 to 2 weeks before and as late as 5 weeks after orbital injury. All patients were treated with IV antibiotics. Two developed an orbital abscess that required surgical drainage; 1 patient improved after an endonasal maxillary antrostomy. One patient improved on IV antibiotics alone and underwent fracture repair at a later stage. These 4 patients represent 0.8% of all cases of orbital fractures treated in the study period. Orbital cellulitis is a rare complication of orbital fracture, and seems to be more common when paranasal sinus infection preexists or occurs within several weeks of the injury. Oral antibiotics given after the orbital injury may not prevent orbital cellulitis or abscess formation. Surgery may be required to drain orbital abscess or in nonresolving cellulitis to drain the paranasal sinuses. Fracture repair, if indicated, should be delayed, particularly if an alloplastic implant is used.

  5. Natural Thermoluminescence and the Terrestrial and Orbital Histories of Ordinary Chondrites

    NASA Astrophysics Data System (ADS)

    Akridge, Jannette Marie Cunningham

    The amount of stored thermoluminescence in a meteorite is a direct result of storage temperature and duration of radiation exposure. I have used these relationships to study the terrestrial and orbital histories of meteorites. The orbital history of a meteorite is investigated using the high temperature portion of the glow curve while the study of terrestrial histories requires the use of the low temperature region. The build-up and decay parameters for the high temperature region of the thermoluminescence glow-curve for Paragould, Lost City, Tilden, Chicora, Innisfree and Pribram have been determined. All of the samples reach saturation at 360 +/- 10 krad and have a RO value (the dose necessary to fill 63.2% of the total available traps) of 80 krad. There are four trap populations with average temperatures of 321 +/- 7.3°C, 367 +/- 5.8°C, 406 +/- 4.8°C, and 462 +/- 5.8°C and average E values of 1.27 +/- 0.02 eV, 1.38 +/- 0.04 eV, 1.45 +/- 0.01 eV, and 1.51 +/- 0.01 eV; and averages s values of 7.87 +/- 1.85 x 109 sec-1 , 9.89 +/- 7.30 x 109 sec-1, 5.95 +/- 1.66 x 109 sec-1, and 2.01 +/- 0.50 x 109 sec-1, respectively. Based on calculations using the above TL parameters, I argue that Pribram was exposed to a higher average dose rate in space than Lost City and Innisfree. It is also possible that Paragould and Tilden have perihelia similar to that of Pribram. If the albedo of the two meteorites is assumed to be similar to Pribram then the aphelion must have been less than 3.5 AU, but if their albedos were lower than Pribram's their aphelia could have been as much as 4.0 AU. Chicora probably had a perihelion similar to that of Lost City and Innisfree but its aphelion was probably less than that of Lost City. I have measured the natural TL in the ``drained zone'' of 15 meteorites. The data indicate that this technique could be used with greater accuracy than 36Cl to determine terrestrial ages of meteorites with ages <200 ka, after which TL equilibrium is reached

  6. Analysis of orbital perturbations acting on objects in orbits near geosynchronous earth orbit

    NASA Technical Reports Server (NTRS)

    Friesen, Larry J.; Jackson, Albert A., IV; Zook, Herbert A.; Kessler, Donald J.

    1992-01-01

    The paper presents a numerical investigation of orbital evolution for objects started in GEO or in orbits near GEO in order to study potential orbital debris problems in this region. Perturbations simulated include nonspherical terms in the earth's geopotential field, lunar and solar gravity, and solar radiation pressure. Objects simulated include large satellites, for which solar radiation pressure is insignificant, and small particles, for which solar radiation pressure is an important force. Results for large satellites are largely in agreement with previous GEO studies that used classical perturbation techniques. The orbit plane of GEO satellites placed in a stable plane orbit inclined approximately 7.3 deg to the equator experience very little precession, remaining always within 1.2 percent of their initial orientation. Solar radiation pressure generates two major effects on small particles: an orbital eccentricity oscillation anticipated from previous research, and an oscillation in orbital inclination.

  7. Mechanical systems with closed orbits on manifolds of revolution

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kudryavtseva, E A; Fedoseev, D A

    We study natural mechanical systems describing the motion of a particle on a two-dimensional Riemannian manifold of revolution in the field of a central smooth potential. We obtain a classification of Riemannian manifolds of revolution and central potentials on them that have the strong Bertrand property: any nonsingular (that is, not contained in a meridian) orbit is closed. We also obtain a classification of manifolds of revolution and central potentials on them that have the 'stable' Bertrand property: every parallel is an 'almost stable' circular orbit, and any nonsingular bounded orbit is closed. Bibliography: 14 titles.

  8. Orbit Tomography: A Method for Determining the Population of Individual Fast-ion Orbits from Experimental Measurements

    NASA Astrophysics Data System (ADS)

    Stagner, L.; Heidbrink, W. W.

    2017-10-01

    Due to the complicated nature of the fast-ion distribution function, diagnostic velocity-space weight functions are used to analyze experimental data. In a technique known as Velocity-space Tomography (VST), velocity-space weight functions are combined with experimental measurements to create a system of linear equations that can be solved. However, VST (which by definition ignores spatial dependencies) is restricted, both by the accuracy of its forward model and also by the availability of spatially overlapping diagnostics. In this work we extend velocity-space weight functions to a full 6D generalized coordinate system and then show how to reduce them to a 3D orbit-space without loss of generality using an action-angle formulation. Furthermore, we show how diagnostic orbit-weight functions can be used to infer the full fast-ion distribution function, i.e. Orbit Tomography. Examples of orbit weights functions for different diagnostics and reconstructions of fast-ion distributions are shown for DIII-D experiments. This work was supported by the U.S. Department of Energy under DE-AC02-09CH11466 and DE-FC02-04ER54698.

  9. THREE PLANETS ORBITING WOLF 1061

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wright, D. J.; Wittenmyer, R. A.; Tinney, C. G.

    We use archival HARPS spectra to detect three planets orbiting the M3 dwarf Wolf 1061 (GJ 628). We detect a 1.36 M{sub ⊕} minimum-mass planet with an orbital period P = 4.888 days (Wolf 1061b), a 4.25 M{sub ⊕} minimum-mass planet with orbital period P = 17.867 days (Wolf 1061c), and a likely 5.21 M{sub ⊕} minimum-mass planet with orbital period P = 67.274 days (Wolf 1061d). All of the planets are of sufficiently low mass that they may be rocky in nature. The 17.867 day planet falls within the habitable zone for Wolf 1061 and the 67.274 day planetmore » falls just outside the outer boundary of the habitable zone. There are no signs of activity observed in the bisector spans, cross-correlation FWHMs, calcium H and K indices, NaD indices, or Hα indices near the planetary periods. We use custom methods to generate a cross-correlation template tailored to the star. The resulting velocities do not suffer the strong annual variation observed in the HARPS DRS velocities. This differential technique should deliver better exploitation of the archival HARPS data for the detection of planets at extremely low amplitudes.« less

  10. Effect of ion pairing on the fluorescence of berberine, a natural isoquinoline alkaloid

    NASA Astrophysics Data System (ADS)

    Megyesi, Mónika; Biczók, László

    2007-10-01

    Effect of association with chloride or perchlorate anions on the fluorescence properties of berberine, a cationic isoquinoline alkaloid, has been studied. Interaction with Cl - caused more efficient fluorescence quenching; it significantly accelerated the radiationless deactivation and slowed down the radiative transition. Combined analysis of spectrophotometric, steady-state and time-resolved fluorescence results provided 1.5 × 10 5 M -1 for the equilibrium constant of ion pairing with Cl - in CH 2Cl 2. Both ion pairing and enrichment of the microenvironment of berberine in ions led to excited state quenching in solvents of medium polarity, but only the latter effect was observed in the presence of perchlorates in butyronitrile.

  11. Linear-response time-dependent density-functional theory with pairing fields.

    PubMed

    Peng, Degao; van Aggelen, Helen; Yang, Yang; Yang, Weitao

    2014-05-14

    Recent development in particle-particle random phase approximation (pp-RPA) broadens the perspective on ground state correlation energies [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013), Y. Yang, H. van Aggelen, S. N. Steinmann, D. Peng, and W. Yang, J. Chem. Phys. 139, 174110 (2013); D. Peng, S. N. Steinmann, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 104112 (2013)] and N ± 2 excitation energies [Y. Yang, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 224105 (2013)]. So far Hartree-Fock and approximated density-functional orbitals have been utilized to evaluate the pp-RPA equation. In this paper, to further explore the fundamentals and the potential use of pairing matrix dependent functionals, we present the linear-response time-dependent density-functional theory with pairing fields with both adiabatic and frequency-dependent kernels. This theory is related to the density-functional theory and time-dependent density-functional theory for superconductors, but is applied to normal non-superconducting systems for our purpose. Due to the lack of the proof of the one-to-one mapping between the pairing matrix and the pairing field for time-dependent systems, the linear-response theory is established based on the representability assumption of the pairing matrix. The linear response theory justifies the use of approximated density-functionals in the pp-RPA equation. This work sets the fundamentals for future density-functional development to enhance the description of ground state correlation energies and N ± 2 excitation energies.

  12. Shuttle on-orbit rendezvous targeting: Circular orbits

    NASA Technical Reports Server (NTRS)

    Bentley, E. L.

    1972-01-01

    The strategy and logic used in a space shuttle on-orbit rendezvous targeting program are described. The program generates ascent targeting conditions for boost to insertion into an intermediate parking orbit, and generates on-orbit targeting and timeline bases for each maneuver to effect rendezvous with a space station. Time of launch is determined so as to eliminate any plane change, and all work was performed for a near-circular space station orbit.

  13. Evaluation of the pair-culture effect in Ophryotrocha puerilis (Polychaeta: Dorvilleidae). I. Pair-culture effect and sex ratio

    NASA Astrophysics Data System (ADS)

    Kegel, B.; Pfannenstiel, H.-D.

    1983-06-01

    Pairs and larger groups of female Ophryotrocha puerilis puerilis were formed from formerly isolated specimens. Neither the diameter of the oocytes present in the coelomic fluid nor the number of setigerous segments (ss) of the partners of a newly formed pair allow us to predict which one of the two animals will exhibit sex reversal. Amputation of the palps showed that these ventrolateral appendages of the prostomium are not responsible for the transmission of the mutual influence which is exerted during the pair-culture effect. Isolated females do not produce egg masses but keep their oocytes in the body cavity until they are eventually resorbed. The shedding of oocytes in one of the females of a newly formed pair was formerly considered to be the first step in the pair-culture effect. The present results demonstrate that egg laying in these cases is unspecific and due rather to the end of isolation than to specific interactions with the partner. In groups consisting of up to 50 animals the sex ratio oscillates around 1:1. The presence of primary males does not influence the sex ratio of adult specimens, although these males are capable of fertilizing egg masses produced by adult females. As a result, a high percentage of both young and old males are found in densely populated bowls. The significance of the pair-culture effect in natural populations is discussed in the light of these findings.

  14. Formation Flying in Earth, Libration, and Distant Retrograde Orbits

    NASA Technical Reports Server (NTRS)

    Folta, David C.

    2004-01-01

    This slide presentation examines the current and future state of formation flying, LEO formations, control strategies for flight in the vicinity of the libration points, and distant retrograde orbit formations. This discussion of LEO formations includes background on perturbation theory/accelerations and LEO formation flying. The discussion of strategies for formation flight in the vicinity of the libration points includes libration missions and natural and controlled libration orbit formations. A reference list is included.

  15. Driving magnetization dynamics with interfacial spin-orbit torques (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Hoffmann, Axel F.; Zhang, Wei; Sklenar, Joseph; Jungfleisch, Matthias Benjamin; Jiang, Wanjun; Hsu, Bo; Xiao, Jiao; Pearson, John E.; Fradin, Frank Y.; Liu, Yaohua; Ketterson, John B.; Yang, Zheng

    2016-10-01

    Bulk spin Hall effects are well know to provide spin orbit torques, which can be used to drive magnetization dynamics [1]. But one of the reoccurring questions is to what extend spin orbit torques may also originate at the interface between materials with strong spin orbit coupling and the ferromagnets. Using spin torque driven ferromagnetic resonance we show for two systems, where interfacial torques dominate, that they can be large enough to be practically useful. First, we show spin transfer torque driven magnetization dynamics based on Rashba-Edelstein effects at the Bi/Ag interface [2]. Second, we will show that combining permalloy with monolayer MoS2 gives rise to sizable spin-orbit torques. Given the monolayer nature of MoS2 it is clear that bilk spin Hall effects are negligible and therefore the spin transfer torques are completely interfacial in nature. Interestingly the spin orbit torques with MoS2 show a distinct dependence on the orientation of the magnetization in the permalloy, and become strongly enhanced, when the magnetization is pointing perpendicular to the interfacial plane. This work was supported by the U.S. Department of Energy, Office of Science, Materials Science and Engineering Division. [1] A. Hoffmann, IEEE Trans. Mag. 49, 5172 (2013). [2] W. Zhang et al., J. Appl. Phys. 117, 17C727 (2015). [3] M. B. Jungfleisch et al., arXiv:1508.01410.

  16. [Surgical treatment of diffuse adult orbital lymphangioma: two case studies].

    PubMed

    Berthout, A; Jacomet, P V; Putterman, M; Galatoire, O; Morax, S

    2008-12-01

    Orbital lymphangioma is a rare vascular malformation; it is a benign but severe anomaly because of its infiltrative, diffuse, and hemorrhagic nature, and its high morbidity rate. Surgical resection is a real challenge on account of the intricate architecture of the lesion. The authors report their surgical experience concerning two cases of diffuse orbital lymphangioma whose diagnosis was established in adulthood and whose surgical treatment was successful. Two patients presented with adult orbital lymphangioma. Progression was slow during the first decade and then was quickly followed by complications: major exorbitism, compressive optic neuropathy, and corneal exposure. Neuroimaging showed a diffuse and cystic orbital malformation. Surgical resection was performed as completely as possible, in one case with a Krönlein orbitotomy and in the other case only via a conjunctive route. An aspirate drain was put in the orbit for 48 h so as to prevent dead spaces forming after resection, an essential risk factor of hemorrhagic or cystic recurrence. Systemic corticotherapy was administered for the 5 days following surgery. The resection was total in one case and subtotal in the other. The surgical follow-up was uneventful with an excellent aesthetic result and an improvement in visual acuity. After 12 months, no tumoral or hemorrhagic recurrence was noted. The surgical treatment of orbital lymphangiomas is challenging because of their infiltrative nature. In diffuse forms, a complete resection is rarely possible because of the risk of sacrificing visual function. In the two cases reported herein, the resection of the extraconal portion was complete, but the intraconal portion was completely removed only in one case. Using the aspirate drain, negative pressure was maintained in the orbital cavity, preventing the formation of chocolate cysts induced by surgery. Although the clinical result was very satisfying, long-term follow-up is necessary to evaluate recurrence

  17. Magnetic Field Dependence of Excitations Near Spin-Orbital Quantum Criticality

    NASA Astrophysics Data System (ADS)

    Biffin, A.; Rüegg, Ch.; Embs, J.; Guidi, T.; Cheptiakov, D.; Loidl, A.; Tsurkan, V.; Coldea, R.

    2017-02-01

    The spinel FeSc2 S4 has been proposed to realize a near-critical spin-orbital singlet (SOS) state, where entangled spin and orbital moments fluctuate in a global singlet state on the verge of spin and orbital order. Here we report powder inelastic neutron scattering measurements that observe the full bandwidth of magnetic excitations and we find that spin-orbital triplon excitations of an SOS state can capture well key aspects of the spectrum in both zero and applied magnetic fields up to 8.5 T. The observed shift of low-energy spectral weight to higher energies upon increasing applied field is naturally explained by the entangled spin-orbital character of the magnetic states, a behavior that is in strong contrast to spin-only singlet ground state systems, where the spin gap decreases upon increasing applied field.

  18. 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…

  19. Fronto-orbital feminization technique. A surgical strategy using fronto-orbital burring with or without eggshell technique to optimize the risk/benefit ratio.

    PubMed

    Villepelet, A; Jafari, A; Baujat, B

    2018-05-04

    The demand for facial feminization is increasing in transsexual patients. Masculine foreheads present extensive supraorbital bossing with a more acute glabellar angle, whereas female foreheads show softer features. The aim of this article is to describe our surgical technique for fronto-orbital feminization. The mask-lift technique is an upper face-lift. It provides rejuvenation by correcting collapsed features, and fronto-orbital feminization through burring of orbital rims and lateral canthopexies. Depending on the size of the frontal sinus and the thickness of its anterior wall, frontal remodeling is achieved using simple burring or by means of the eggshell technique. Orbital remodeling comprises a superolateral orbital opening, a reduction of ridges and a trough at the lateral orbital rim to support the lateral canthopexy. Frontal, corrugator and procerus myectomies, plus minimal scalp excision, complete the surgery. Our technique results in significant, natural-looking feminization. No complications were observed in our series of patients. The eggshell technique is an alternative to bone flap on over-pneumatized sinus. Fronto-orbital feminization fits into a wider surgical strategy. It can be associated to rhinoplasty, genioplasty, mandibular angle remodeling, face lift and laryngoplasty. Achieving facial feminization in 2 or 3 stages improves psychological and physiological tolerance. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

  20. Search for natural supersymmetry in events with top quark pairs and photons in pp collisions at √{s}=8 TeV

    NASA Astrophysics Data System (ADS)

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A.; Mahrous, A.; Kadastik, M.; Perrini, L.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Pekkanen, J.; Voutilainen, M.; Härkönen, J.; Järvinen, T.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Favaro, C.; Ferri, F.; Ganjour, S.; Ghosh, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Kucher, I.; Locci, E.; Machet, M.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Abdulsalam, A.; Antropov, I.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Chapon, E.; Charlot, C.; Davignon, O.; Granier de Cassagnac, R.; Jo, M.; Lisniak, S.; Lobanov, A.; Miné, P.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Pigard, P.; Regnard, S.; Salerno, R.; Sirois, Y.; Stahl Leiton, A. G.; Strebler, T.; Yilmaz, Y.; Zabi, A.; Zghiche, A.; Agram, J.-L.; Andrea, J.; Bloch, D.; Brom, J.-M.; Buttignol, M.; Chabert, E. C.; Chanon, N.; Collard, C.; Conte, E.; Coubez, X.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Le Bihan, A.-C.; Van Hove, P.; Gadrat, S.; Beauceron, S.; Bernet, C.; Boudoul, G.; Carrillo Montoya, C. A.; Chierici, R.; Contardo, D.; Courbon, B.; Depasse, P.; El Mamouni, H.; Fay, J.; Finco, L.; Gascon, S.; Gouzevitch, M.; Grenier, G.; Ille, B.; Lagarde, F.; Laktineh, I. B.; Lethuillier, M.; Mirabito, L.; Pequegnot, A. L.; Perries, S.; Popov, A.; Sordini, V.; Vander Donckt, M.; Verdier, P.; Viret, S.; Khvedelidze, A.; Tsamalaidze, Z.; Autermann, C.; Beranek, S.; Feld, L.; Kiesel, M. K.; Klein, K.; Lipinski, M.; Preuten, M.; Schomakers, C.; Schulz, J.; Verlage, T.; Albert, A.; Brodski, M.; Dietz-Laursonn, E.; Duchardt, D.; Endres, M.; Erdmann, M.; Erdweg, S.; Esch, T.; Fischer, R.; Güth, A.; Hamer, M.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Knutzen, S.; Merschmeyer, M.; Meyer, A.; Millet, P.; Mukherjee, S.; Olschewski, M.; Padeken, K.; Pook, T.; Radziej, M.; Reithler, H.; Rieger, M.; Scheuch, F.; Sonnenschein, L.; Teyssier, D.; Thüer, S.; Cherepanov, V.; Flügge, G.; Kargoll, B.; Kress, T.; Künsken, A.; Lingemann, J.; Müller, T.; Nehrkorn, A.; Nowack, A.; Pistone, C.; Pooth, O.; Stahl, A.; Aldaya Martin, M.; Arndt, T.; Asawatangtrakuldee, C.; Beernaert, K.; Behnke, O.; Behrens, U.; Bin Anuar, A. A.; Borras, K.; Campbell, A.; Connor, P.; Contreras-Campana, C.; Costanza, F.; Diez Pardos, C.; Dolinska, G.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Eren, E.; Gallo, E.; Garay Garcia, J.; Geiser, A.; Gizhko, A.; Grados Luyando, J. M.; Grohsjean, A.; Gunnellini, P.; Harb, A.; Hauk, J.; Hempel, M.; Jung, H.; Kalogeropoulos, A.; Karacheban, O.; Kasemann, M.; Keaveney, J.; Kleinwort, C.; Korol, I.; Krücker, D.; Lange, W.; Lelek, A.; Lenz, T.; Leonard, J.; Lipka, K.; Lohmann, W.; Mankel, R.; Melzer-Pellmann, I.-A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Ntomari, E.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Roland, B.; Sahin, M. Ö.; Saxena, P.; Schoerner-Sadenius, T.; Spannagel, S.; Stefaniuk, N.; Van Onsem, G. P.; Walsh, R.; Wissing, C.; Blobel, V.; Centis Vignali, M.; Draeger, A. R.; Dreyer, T.; Garutti, E.; Gonzalez, D.; Haller, J.; Hoffmann, M.; Junkes, A.; Klanner, R.; Kogler, R.; Kovalchuk, N.; Kurz, S.; Lapsien, T.; Marchesini, I.; Marconi, D.; Meyer, M.; Niedziela, M.; Nowatschin, D.; Pantaleo, F.; Peiffer, T.; Perieanu, A.; Scharf, C.; Schleper, P.; Schmidt, A.; Schumann, S.; Schwandt, J.; Sonneveld, J.; Stadie, H.; Steinbrück, G.; Stober, F. 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A.; Filipovic, N.; Pasztor, G.; Bencze, G.; Hajdu, C.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.; Beni, N.; Czellar, S.; Karancsi, J.; Makovec, A.; Molnar, J.; Szillasi, Z.; Bartók, M.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Choudhury, S.; Komaragiri, J. R.; Bahinipati, S.; Bhowmik, S.; Mal, P.; Mandal, K.; Nayak, A.; Sahoo, D. K.; Sahoo, N.; Swain, S. K.; Bansal, S.; Beri, S. B.; Bhatnagar, V.; Bhawandeep, U.; Chawla, R.; Kalsi, A. K.; Kaur, A.; Kaur, M.; Kumar, R.; Kumari, P.; Mehta, A.; Mittal, M.; Singh, J. B.; Walia, G.; Kumar, Ashok; Bhardwaj, A.; Choudhary, B. C.; Garg, R. B.; Keshri, S.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Sharma, R.; Sharma, V.; Bhattacharya, R.; Bhattacharya, S.; Chatterjee, K.; Dey, S.; Dutt, S.; Dutta, S.; Ghosh, S.; Majumdar, N.; Modak, A.; Mondal, K.; Mukhopadhyay, S.; Nandan, S.; Purohit, A.; Roy, A.; Roy, D.; Roy Chowdhury, S.; Sarkar, S.; Sharan, M.; Thakur, S.; Behera, P. 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    2018-03-01

    Results are presented from a search for natural gauge-mediated supersymmetry (SUSY) in a scenario in which the top squark is the lightest squark, the next-to-lightest SUSY particle is a bino-like neutralino, and the lightest SUSY particle is the gravitino. The strong production of top squark pairs can produce events with pairs of top quarks and neutralinos, with each bino-like neutralino decaying to a photon and a gravitino. The search is performed using a sample of pp collision data accumulated by the CMS experiment at √{s}=8 TeV, corresponding to an integrated luminosity of 19.7 fb-1. The final state consists of a lepton (electron or muon), jets, and one or two photons. The imbalance in transverse momentum in the events is compared with the expected spectrum from standard model processes. No excess event yield is observed beyond the expected background, and the result is interpreted in the context of a general model of gauge-mediated SUSY breaking that leads to exclusion of top squark masses below 650-730 GeV. [Figure not available: see fulltext.

  1. [Orbital inflammation].

    PubMed

    Mouriaux, F; Coffin-Pichonnet, S; Robert, P-Y; Abad, S; Martin-Silva, N

    2014-12-01

    Orbital inflammation is a generic term encompassing inflammatory pathologies affecting all structures within the orbit : anterior (involvement up to the posterior aspect of the globe), diffuse (involvement of intra- and/or extraconal fat), apical (involvement of the posterior orbit), myositis (involvement of only the extraocular muscles), dacryoadenitis (involvement of the lacrimal gland). We distinguish between specific inflammation and non-specific inflammation, commonly referred to as idiopathic inflammation. Specific orbital inflammation corresponds to a secondary localization of a "generalized" disease (systemic or auto-immune). Idiopathic orbital inflammation corresponds to uniquely orbital inflammation without generalized disease, and thus an unknown etiology. At the top of the differential diagnosis for specific or idiopathic orbital inflammation are malignant tumors, represented most commonly in the adult by lympho-proliferative syndromes and metastases. Treatment of specific orbital inflammation begins with treatment of the underlying disease. For idiopathic orbital inflammation, treatment (most often corticosteroids) is indicated above all in cases of visual loss due to optic neuropathy, in the presence of pain or oculomotor palsy. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  2. PyORBIT: A Python Shell For ORBIT

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jean-Francois Ostiguy; Jeffrey Holmes

    2003-07-01

    ORBIT is code developed at SNS to simulate beam dynamics in accumulation rings and synchrotrons. The code is structured as a collection of external C++ modules for SuperCode, a high level interpreter shell developed at LLNL in the early 1990s. SuperCode is no longer actively supported and there has for some time been interest in replacing it by a modern scripting language, while preserving the feel of the original ORBIT program. In this paper, we describe a new version of ORBIT where the role of SuperCode is assumed by Python, a free, well-documented and widely supported object-oriented scripting language. Wemore » also compare PyORBIT to ORBIT from the standpoint of features, performance and future expandability.« less

  3. Effects of experimental light at night on extra-pair paternity in a songbird.

    PubMed

    de Jong, Maaike; Lamers, Koosje P; Eugster, Mark; Ouyang, Jenny Q; Da Silva, Arnaud; Mateman, A Christa; van Grunsven, Roy H A; Visser, Marcel E; Spoelstra, Kamiel

    2018-06-27

    Light pollution is increasing worldwide and significantly affects animal behavior. In birds, these effects include advancement of morning activity and onset of dawn song, which may affect extra-pair paternity. Advanced dawn song of males may stimulate females to engage in extra-pair copulations, and the earlier activity onset may affect the males' mate guarding behavior. Earlier work showed an effect of light at night on extra-pair behavior, but this was in an area with other anthropogenic disturbances. Here, we present a two-year experimental study on effects of light at night on extra-pair paternity of great tits (Parus major). Previously dark natural areas were illuminated with white, red, and green LED lamps and compared to a dark control. In 2014, the proportion of extra-pair young in broods increased with distance to the red and white lamps (i.e., at lower light intensities), but decreased with distance to the poles in the dark control. In 2013, we found no effects on the proportion of extra-pair young. The total number of offspring sired by a male was unaffected by artificial light at night in both years, suggesting that potential changes in female fidelity in pairs breeding close to white and red light did not translate into fitness benefits for the males of these pairs. Artificial light at night might disrupt the natural patterns of extra-pair paternity, possibly negates potential benefits of extra-pair copulations and thus could alter sexual selection processes in wild birds. © 2018 Wiley Periodicals, Inc.

  4. Dictionary Pair Learning on Grassmann Manifolds for Image Denoising.

    PubMed

    Zeng, Xianhua; Bian, Wei; Liu, Wei; Shen, Jialie; Tao, Dacheng

    2015-11-01

    Image denoising is a fundamental problem in computer vision and image processing that holds considerable practical importance for real-world applications. The traditional patch-based and sparse coding-driven image denoising methods convert 2D image patches into 1D vectors for further processing. Thus, these methods inevitably break down the inherent 2D geometric structure of natural images. To overcome this limitation pertaining to the previous image denoising methods, we propose a 2D image denoising model, namely, the dictionary pair learning (DPL) model, and we design a corresponding algorithm called the DPL on the Grassmann-manifold (DPLG) algorithm. The DPLG algorithm first learns an initial dictionary pair (i.e., the left and right dictionaries) by employing a subspace partition technique on the Grassmann manifold, wherein the refined dictionary pair is obtained through a sub-dictionary pair merging. The DPLG obtains a sparse representation by encoding each image patch only with the selected sub-dictionary pair. The non-zero elements of the sparse representation are further smoothed by the graph Laplacian operator to remove the noise. Consequently, the DPLG algorithm not only preserves the inherent 2D geometric structure of natural images but also performs manifold smoothing in the 2D sparse coding space. We demonstrate that the DPLG algorithm also improves the structural SIMilarity values of the perceptual visual quality for denoised images using the experimental evaluations on the benchmark images and Berkeley segmentation data sets. Moreover, the DPLG also produces the competitive peak signal-to-noise ratio values from popular image denoising algorithms.

  5. Orbital period changes in Centaurus X-3

    NASA Technical Reports Server (NTRS)

    Kelley, R. L.; Rappaport, S.; Clark, G. W.; Petro, L. D.

    1983-01-01

    Two new times of mid-X-ray eclipse for Cen X-3 are presented on the basis of pulse arrival time analyses of pointed observations with SAS 3. When combined with all other published eclipse times based on Doppler delay measurements, the results show that the 2.1d binary period is decreasing at an average rate of 1.8 x 10 to the -6th/yr. The decrease, however, is seen as having significant fluctuations about a smooth, linear decrease. The changes observed in the orbital period can be accounted for by mass loss from the system through the L2 point, although the rates required are implausibly high. It is also shown that the long-term overall orbital decay can readily be interpreted as the result of torques exerted by the tidally distorted companion star (Krzeminski's star) on the orbiting neutron star. It is noted that the inferred asynchronism between the orbital frequency and the rotation frequency of the companion star may be maintained by mass and angular momentum loss in a stellar wind or by a tidal instability related to the Darwin effect. However, this would not provide a natural explanation for any short-term deviations from a constant rate of orbital decay.

  6. Rehabilitation of orbital cavity after orbital exenteration using polymethyl methacrylate orbital prosthesis.

    PubMed

    Jain, Sumeet; Jain, Parul

    2016-01-01

    Squamous cell carcinoma of the eyelid is the second most common malignant neoplasm of the eye with the incidence of 0.09 and 2.42 cases/100 000 people. Orbital invasion is a rare complication but, if recognized early, can be treated effectively with exenteration. Although with advancements in technology such as computer-aided design and computer-aided manufacturing, material science, and retentive methods like implants, orbital prosthesis with stock ocular prosthesis made of methyl methacrylate retained by anatomic undercuts is quiet effective and should not be overlooked and forgotten. This clinical report describes prosthetic rehabilitation of two male patients with polymethyl methacrylate resin orbital prosthesis after orbital exenteration, for squamous cell carcinoma of the upper eyelid. The orbital prosthesis was sufficiently retained by hard and soft tissue undercuts without any complications. The patients using the prosthesis are quite satisfied with the cosmetic results and felt comfortable attending the social events.

  7. Characterizing Longitude-Dependent Orbital Debris Congestion in the Geosynchronous Orbit Regime

    NASA Astrophysics Data System (ADS)

    Anderson, Paul V.

    The geosynchronous orbit (GEO) is a unique commodity of the satellite industry that is becoming increasingly contaminated with orbital debris, but is heavily populated with high-value assets from the civil, commercial, and defense sectors. The GEO arena is home to hundreds of communications, data transmission, and intelligence satellites collectively insured for an estimated 18.3 billion USD. As the lack of natural cleansing mechanisms at the GEO altitude renders the lifetimes of GEO debris essentially infinite, conjunction and risk assessment must be performed to safeguard operational assets from debris collisions. In this thesis, longitude-dependent debris congestion is characterized by predicting the number of near-miss events per day for every longitude slot at GEO, using custom debris propagation tools and a torus intersection metric. Near-miss events with the present-day debris population are assigned risk levels based on GEO-relative position and speed, and this risk information is used to prioritize the population for debris removal target selection. Long-term projections of debris growth under nominal launch traffic, mitigation practices, and fragmentation events are also discussed, and latitudinal synchronization of the GEO debris population is explained via node variations arising from luni-solar gravity. In addition to characterizing localized debris congestion in the GEO ring, this thesis further investigates the conjunction risk to operational satellites or debris removal systems applying low-thrust propulsion to raise orbit altitude at end-of-life to a super-synchronous disposal orbit. Conjunction risks as a function of thrust level, miss distance, longitude, and semi-major axis are evaluated, and a guidance method for evading conjuncting debris with continuous thrust by means of a thrust heading change via single-shooting is developed.

  8. Tuning Ising superconductivity with layer and spin-orbit coupling in two-dimensional transition-metal dichalcogenides.

    PubMed

    de la Barrera, Sergio C; Sinko, Michael R; Gopalan, Devashish P; Sivadas, Nikhil; Seyler, Kyle L; Watanabe, Kenji; Taniguchi, Takashi; Tsen, Adam W; Xu, Xiaodong; Xiao, Di; Hunt, Benjamin M

    2018-04-12

    Systems simultaneously exhibiting superconductivity and spin-orbit coupling are predicted to provide a route toward topological superconductivity and unconventional electron pairing, driving significant contemporary interest in these materials. Monolayer transition-metal dichalcogenide (TMD) superconductors in particular lack inversion symmetry, yielding an antisymmetric form of spin-orbit coupling that admits both spin-singlet and spin-triplet components of the superconducting wavefunction. Here, we present an experimental and theoretical study of two intrinsic TMD superconductors with large spin-orbit coupling in the atomic layer limit, metallic 2H-TaS 2 and 2H-NbSe 2 . We investigate the superconducting properties as the material is reduced to monolayer thickness and show that high-field measurements point to the largest upper critical field thus reported for an intrinsic TMD superconductor. In few-layer samples, we find the enhancement of the upper critical field is sustained by the dominance of spin-orbit coupling over weak interlayer coupling, providing additional candidate systems for supporting unconventional superconducting states in two dimensions.

  9. Surface Andreev Bound States and Odd-Frequency Pairing in Topological Superconductor Junctions

    NASA Astrophysics Data System (ADS)

    Tanaka, Yukio; Tamura, Shun

    2018-04-01

    In this review, we summarize the achievement of the physics of surface Andreev bound states (SABS) up to now. The route of this activity has started from the physics of SABS of unconventional superconductors where the pair potential has a sign change on the Fermi surface. It has been established that SABS can be regarded as a topological edge state with topological invariant defined in the bulk Hamiltonian. On the other hand, SABS accompanies odd-frequency pairing like spin-triplet s-wave or spin-singlet p-wave. In a spin-triplet superconductor junction, induced odd-frequency pairing can penetrate into a diffusive normal metal (DN) attached to the superconductor. It causes so called anomalous proximity effect where the local density of states of quasiparticle in DN has a zero energy peak. When bulk pairing symmetry is spin-triplet px-wave, the anomalous proximity effect becomes prominent and the zero bias voltage conductance is always quantized independent of the resistance in DN and interface. Finally, we show that the present anomalous proximity effect is realized in an artificial topological superconducting system, where a nanowire with spin-orbit coupling and Zeeman field is put on the conventional spin-singlet s-wave superconductor.

  10. Synthesis, base pairing and structure studies of geranylated RNA

    PubMed Central

    Wang, Rui; Vangaveti, Sweta; Ranganathan, Srivathsan V.; Basanta-Sanchez, Maria; Haruehanroengra, Phensinee; Chen, Alan; Sheng, Jia

    2016-01-01

    Natural RNAs utilize extensive chemical modifications to diversify their structures and functions. 2-Thiouridine geranylation is a special hydrophobic tRNA modification that has been discovered very recently in several bacteria, such as Escherichia coli, Enterobacter aerogenes, Pseudomonas aeruginosa and Salmonella Typhimurium. The geranylated residues are located in the first anticodon position of tRNAs specific for lysine, glutamine and glutamic acid. This big hydrophobic terpene functional group affects the codon recognition patterns and reduces frameshifting errors during translation. We aimed to systematically study the structure, function and biosynthesis mechanism of this geranylation pathway, as well as answer the question of why nature uses such a hydrophobic modification in hydrophilic RNA systems. Recently, we have synthesized the deoxy-analog of S-geranyluridine and showed the geranylated T-G pair is much stronger than the geranylated T-A pair and other mismatched pairs in the B-form DNA duplex context, which is consistent with the observation that the geranylated tRNAGluUUC recognizes GAG more efficiently than GAA. In this manuscript we report the synthesis and base pairing specificity studies of geranylated RNA oligos. We also report extensive molecular simulation studies to explore the structural features of the geranyl group in the context of A-form RNA and its effect on codon–anticodon interaction during ribosome binding. PMID:27307604

  11. Centromere pairing precedes meiotic chromosome pairing in plants.

    PubMed

    Zhang, Jing; Han, Fangpu

    2017-11-01

    Meiosis is a specialized eukaryotic cell division, in which diploid cells undergo a single round of DNA replication and two rounds of nuclear division to produce haploid gametes. In most eukaryotes, the core events of meiotic prophase I are chromosomal pairing, synapsis and recombination. To ensure accurate chromosomal segregation, homologs have to identify and align along each other at the onset of meiosis. Although much progress has been made in elucidating meiotic processes, information on the mechanisms underlying chromosome pairing is limited in contrast to the meiotic recombination and synapsis events. Recent research in many organisms indicated that centromere interactions during early meiotic prophase facilitate homologous chromosome pairing, and functional centromere is a prerequisite for centromere pairing such as in maize. Here, we summarize the recent achievements of chromosome pairing research on plants and other organisms, and outline centromere interactions, nuclear chromosome orientation, and meiotic cohesin, as main determinants of chromosome pairing in early meiotic prophase.

  12. The Mars Climate Orbiter awaits launch from Pad 17A, CCAS

    NASA Technical Reports Server (NTRS)

    1998-01-01

    After launch tower retraction, the Boeing Delta II rocket carrying NASA's Mars Climate Orbiter undergoes final preparations for liftoff on Dec. 11, 1998, at Launch Complex 17A, Cape Canaveral Air Station. The launch was delayed one day when personnel detected a battery-related software problem in the spacecraft. The problem was corrected and the launch was rescheduled for the next day. The first of a pair of spacecraft in the Mars Surveyor '98 Project, the orbiter is heading for Mars where it will first provide support to its companion Mars Polar Lander spacecraft, which is planned for launch on Jan. 3, 1999. The orbiter's instruments will then monitor the Martian atmosphere and image the planet's surface on a daily basis for one Martian year (1.8 Earth years). It will observe the appearance and movement of atmospheric dust and water vapor, as well as characterize seasonal changes on the surface. The detailed images of the surface features will provide important clues to the planet's early climate history and give scientists more information about possible liquid water reserves beneath the surface.

  13. Seniority and orbital symmetry as tools for establishing a full configuration interaction hierarchy.

    PubMed

    Bytautas, Laimutis; Henderson, Thomas M; Jiménez-Hoyos, Carlos A; Ellis, Jason K; Scuseria, Gustavo E

    2011-07-28

    We explore the concept of seniority number (defined as the number of unpaired electrons in a determinant) when applied to the problem of electron correlation in atomic and molecular systems. Although seniority is a good quantum number only for certain model Hamiltonians (such as the pairing Hamiltonian), we show that it provides a useful partitioning of the electronic full configuration interaction (FCI) wave function into rapidly convergent Hilbert subspaces whose weight diminishes as its seniority number increases. The primary focus of this study is the adequate description of static correlation effects. The examples considered are the ground states of the helium, beryllium, and neon atoms, the symmetric dissociation of the N(2) and CO(2) molecules, as well as the symmetric dissociation of an H(8) hydrogen chain. It is found that the symmetry constraints that are normally placed on the spatial orbitals greatly affect the convergence rate of the FCI expansion. The energy relevance of the seniority zero sector (determinants with all paired electrons) increases dramatically if orbitals of broken spatial symmetry (as those commonly used for Hubbard Hamiltonian studies) are allowed in the wave function construction. © 2011 American Institute of Physics

  14. Natural environment design requirements for the space tug

    NASA Technical Reports Server (NTRS)

    West, G. S., Jr.

    1973-01-01

    The natural environment design requirements for the space tug are presented. Since the Space Tug is carried as cargo to orbital altitudes in the space shuttle bay, orbital environmental impacts and short-period atmospheric density variations are the main concerns. The subjects discussed are: (1) natural environment, (2) neutral environment, (3) charged particles, (4) radiation, and (5) meteoroid hazards.

  15. Hanbury Brown and Twiss correlations of Cooper pairs in helical liquids

    NASA Astrophysics Data System (ADS)

    Choi, Mahn-Soo

    2014-01-01

    We propose a Hanbury Brown and Twiss (HBT) experiment of Cooper pairs on the edge channels of quantum spin Hall insulators. The helical edge channels provide a well-defined beam of Cooper pairs and perfect Andreev reflections from superconductors. This allows our setup to be identical in spirit to the original HBT experiment. Interestingly, the cross correlation is always negative and provides no hint of the bosonic nature of Cooper pairs. This counterintuitive result is attributed to the perfect Andreev reflection and the true beam splitter in the setup.

  16. Physiological implications of pair-bond status in greylag geese.

    PubMed

    Wascher, Claudia A F; Weiß, Brigitte M; Arnold, Walter; Kotrschal, Kurt

    2012-06-23

    In group-living vertebrates, reliable social allies play a decisive role in dealing with stressors. For example, support by social allies is known to dampen glucocorticoid responses. It remains unknown, however, how social embedding affects the sympatho-adrenergic axis as indicated by heart rate (HR) in non-human animals. We studied the relationships between HR, pair-bond status and distance from the pair-partner in twenty-five free-ranging greylag geese (Anser anser) in a natural social environment. In three individuals, we investigated HR responses following partner loss. Overall, we found a context- and sex-dependent difference in HR between paired and unpaired individuals, paired males having a lower HR during agonistic encounters, and unpaired females having a lower HR during resting. Also, in paired females HR increased with increasing distance from the partner. Our data suggest that HR is modulated by pair-bond status in greylag geese in a context- and sex-dependent manner, which may be representative for social vertebrates in general. Despite the low sample size, the present study indicates that proper social embedding may optimize an individual's physiological investment in the social domain. This reduces individual energy expenditure and may benefit health and reproductive success.

  17. Natural bond orbital approach to the transmission of substituent effect through the fulvene and benzene ring systems.

    PubMed

    Oziminski, Wojciech P; Krygowski, Tadeusz M

    2011-03-01

    Electronic structure of 22 monosubstituted derivatives of benzene and exocyclically substituted fulvene with substituents: B(OH)(2), BH(2), CCH, CF(3), CH(3), CHCH(2), CHO, Cl, CMe(3), CN, COCH(3), CONH(2), COOH, F, NH(2), NMe(2), NO, NO(2), OCH(3), OH, SiH(3), SiMe(3) were studied theoretically by means of Natural Bond Orbital analysis. It is shown, that sum of π-electron population of carbon atoms of the fulvene and benzene rings, pEDA(F) and pEDA(B), respectively correlate well with Hammett substituent constants [Formula in text] and aromaticity index NICS. The substituent effect acting on pi-electron occupation at carbon atoms of the fulvene ring is significantly stronger than in the case of benzene. Electron occupations of ring carbon atoms (except C1) in fulvene plotted against each other give linear regressions with high correlation coefficients. The same is true for ortho- and para-carbon atoms in benzene. Positive slopes of the regressions indicate similar for fulvene and benzene kind of substituent effect - mostly resonance in nature. Only the regressions of occupation at the carbon atom in meta- position of benzene against ortho- and para-positions gives negative slopes and low correlation coefficients.

  18. The Orbital Evolution of Near-Earth Asteroid 3753

    NASA Astrophysics Data System (ADS)

    Wiegert, Paul A.; Innanen, Kimmo A.; Mikkola, Seppo

    1998-06-01

    Asteroid 3753 (1986 TO) is in a 1:1 mean motion resonance with Earth, on a complex horseshoe-type orbit. Numerical experiments are performed to determine its medium-term stability and the means by which it may have entered its current orbit. Though 3753 moves primarily under the influence of the Sun and Earth, the giant planets (and Jupiter especially) play an important role by influencing, through torque-induced precession, the position of the asteroid's nodes. Variations in the nodal distance strongly affect the interaction of 3753 with Earth and may change or destroy the horseshoe-like behavior currently seen. This precession of the nodes provides a mechanism for placing minor planets into, or removing them from, a variety of horseshoe-type orbits. The chaotic nature of this asteroid's orbit makes predictions difficult on timescales longer than its Lyapunov time (~150 yr); therefore, ensembles of particles on orbits near that of 3753 are considered. The asteroid has a high probability of passing close to Venus and/or Mars on 10^4 yr timescales, pointing to a dynamical age much shorter than that of the solar system.

  19. On initial orbit determination

    NASA Technical Reports Server (NTRS)

    Taff, L. G.

    1984-01-01

    The classical methods of initial orbit determination are brought together within a larger viewpoint. This new synthesis stresses that all such techniques follow one of three approaches. Either they seek to compute the orbital element set, or its equivalent, by attacking the differential equations of motion (Laplace), the first integrals of the equations of motion (Taff), or the solution itself (Gauss). The particular technique pursued within a given type of approach should depend upon the nature of the observational data, the amount of a priori information one is willing to presume, and the object of the exercise. This might be a binary star system, a moon, a minor planet, or an artificial satellite. The efficacy of some algorithms for each approach is discussed briefly. Unfortunately, none of them work very well. Extensions of these techniques to radars or laser radars are trivial and have provided no new insights into the overall problem.

  20. Earth orbiting Sisyphus system study

    NASA Technical Reports Server (NTRS)

    Jurkevich, I.; Krause, K. W.; Neste, S. L.; Soberman, R. K.

    1971-01-01

    The feasibility of employing an optical meteoroid detecting system, known as Sisyphus, to measure the near-earth particulates from an earth orbiting vehicle, is considered. A Sisyphus system can discriminate between natural and man-made particles since the system measures orbital characteristics of particles. A Sisyphus system constructed for the Pioneer F/G missions to Jupiter is used as the baseline, and is described. The amount of observing time which can be obtained by a Sisyphus instrument launched into various orbits is determined. Observation time is lost when, (1) the Sun is in or near the field of view, (2) the lighted Earth is in or near the field of view, (3) the instrument is eclipsed by the Earth, and (4) the phase angle measured at the particle between the forward scattering direction and the instrument is less than a certain critical value. The selection of the launch system and the instrument platform with a dedicated, attitude controlled payload package is discussed. Examples of such systems are SATS and SOLRAD 10(C) vehicles, and other possibilities are AVCO Corp. S4 system, the OWL system, and the Delta Payload Experiment Package.

  1. Magnetic properties and pairing tendencies of the iron-based superconducting ladder BaFe 2 S 3 : Combined ab initio and density matrix renormalization group study

    DOE PAGES

    Patel, Niravkumar D.; Nocera, Alberto; Alvarez, Gonzalo; ...

    2016-08-10

    The recent discovery of superconductivity under high pressure in the two-leg ladder compound BaFe 2S 3 [H. Takahashi et al., Nat. Mater. 14, 1008 (2015)] opens a broad avenue of research, because it represents the first report of pairing tendencies in a quasi-one-dimensional iron-based high-critical-temperature superconductor. Similarly, as in the case of the cuprates, ladders and chains can be far more accurately studied using many-body techniques and model Hamiltonians than their layered counterparts, particularly if several orbitals are active. In this publication, we derive a two-orbital Hubbard model from first principles that describes individual ladders of BaFe 2S 3. Themore » model is studied with the density matrix renormalization group. These first reported results are exciting for two reasons: (i) at half-filling, ferromagnetic order emerges as the dominant magnetic pattern along the rungs of the ladder, and antiferromagnetic order along the legs, in excellent agreement with neutron experiments; and (ii) with hole doping, pairs form in the strong coupling regime, as found by studying the binding energy of two holes doped on the half-filled system. In addition, orbital selective Mott phase characteristics develop with doping, with only oneWannier orbital receiving the hole carriers while the other remains half-filled. Lastly, these results suggest that the analysis of models for iron-based two-leg ladders could clarify the origin of pairing tendencies and other exotic properties of iron-based high-critical-temperature superconductors in general.« less

  2. The Mars Climate Orbiter launches from Pad 17A, CCAS

    NASA Technical Reports Server (NTRS)

    1998-01-01

    A Boeing Delta II expendable launch vehicle lifts off with NASA's Mars Climate Orbiter at 1:45:51 p.m. EST, on Dec. 11, 1998, from Launch Complex 17A, Cape Canaveral Air Station. The launch was delayed one day when personnel detected a battery-related software problem in the spacecraft. The problem was corrected and the launch was rescheduled for the next day. The first of a pair of spacecraft to be launched in the Mars Surveyor '98 Project, the orbiter is heading for Mars where it will first provide support to its companion Mars Polar Lander spacecraft, which is planned for launch on Jan. 3, 1999. The orbiter's instruments will then monitor the Martian atmosphere and image the planet's surface on a daily basis for one Martian year (1.8 Earth years). It will observe the appearance and movement of atmospheric dust and water vapor, as well as characterize seasonal changes on the surface. The detailed images of the surface features will provide important clues to the planet's early climate history and give scientists more information about possible liquid water reserves beneath the surface.

  3. Investigation of electrodynamic stabilization and control of long orbiting tethers

    NASA Technical Reports Server (NTRS)

    Colombo, G.; Arnold, D.

    1984-01-01

    The state-of-the-art in tether modelling among participants in the Tethered Satellite System (TSS) Program, the slack tether and its behavior, and certain advanced applications of the tether to problems in orbital mechanics are identified. The features and applications of the TSS software set are reviewed. Modelling the slack tether analytically with as many as 50 mass points and the application of this new model to a study of the behavior of a broken tether near the Shuttle are described. A reel control algorithm developed by SAO and examples of its use are described, including an example which also demonstrates the use of the tether in transferring a heavy payload from a low-orbiting Shuttle to a high circular orbit. Capture of a low-orbiting payload by a Space Station in high circular orbit is described. Energy transfer within a dumbbell-type spacecraft by cyclical reeling operations or gravitational effects on the natural elasticity of the connecting tether, it is shown, can circularize the orbit of the spacecraft.

  4. Coexistence of Multiple Attractors in an Active Diode Pair Based Chua’s Circuit

    NASA Astrophysics Data System (ADS)

    Bao, Bocheng; Wu, Huagan; Xu, Li; Chen, Mo; Hu, Wen

    This paper focuses on the coexistence of multiple attractors in an active diode pair based Chua’s circuit with smooth nonlinearity. With dimensionless equations, dynamical properties, including boundness of system orbits and stability distributions of two nonzero equilibrium points, are investigated, and complex coexisting behaviors of multiple kinds of disconnected attractors of stable point attractors, limit cycles and chaotic attractors are numerically revealed. The results show that unlike the classical Chua’s circuit, the proposed circuit has two stable nonzero node-foci for the specified circuit parameters, thereby resulting in the emergence of multistability phenomenon. Based on two general impedance converters, the active diode pair based Chua’s circuit with an adjustable inductor and an adjustable capacitor is made in hardware, from which coexisting multiple attractors are conveniently captured.

  5. Role of the orbital degree of freedom in iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Yi, Ming; Zhang, Yan; Shen, Zhi-Xun; Lu, Donghui

    2017-10-01

    Almost a decade has passed since the serendipitous discovery of the iron-based high temperature superconductors (FeSCs) in 2008. The fact that, as in the copper oxide high temperature superconductors, long-range antiferromagnetism in the FeSCs arises in proximity to superconductivity immediately raised the question of the degree of similarity between the two. Despite the great resemblance in their phase diagrams, there exist important differences between the FeSCs and the cuprates that need to be considered in order to paint a full picture of these two families of high temperature superconductors. One of the key differences is the multi-orbital multi-band nature of the FeSCs, which contrasts with the effective single-band nature of the cuprates. Systematic studies of orbital related phenomena in FeSCs have been largely lacking. In this review, we summarize angle-resolved photoemission spectroscopy (ARPES) measurements across various FeSC families that have been reported in literature, focusing on the systematic trends of orbital dependent electron correlations and the role of different Fe 3d orbitals in driving the nematic transition, the spin-density-wave transition, and superconductivity.

  6. The Actual Mass of the Object Orbiting Epsilon Eridani

    NASA Astrophysics Data System (ADS)

    Gatewood, G.

    2000-10-01

    We have tested our 112 Multichannel Astrometric Photometer (MAP) (Gatewood 1987, AJ 94, 213) observations (beginning in 1988) of Epsilon Eridani against the orbital elements provided to us by W. Cochran (private communication). The reduction algorithm is detailed most recently by Gatewood, Han, and Black (2000 ApJ Letters, in press). The seven year period is clearly shown in a variance vs trial periods plot. Although it is near the limit of the current instrument, the astrometric orbital motion is apparent in the residuals to a standard derivation of the star's proper motion and parallax. The astrometric orbital parameters derived by forcing the spectroscopic elements are: semimajor axis = 1.51 +/- 0.44 mas, node of the orbit on the sky = 120 +/- 28 deg, inclination out of the plane of the sky = 46 +/- 17 deg, actual mass = 1.2 +/- 0.33 times that of Jupiter. Our study confirms this object (this is not a minimum mass) as the nearest extrasolar Jupiter mass companion to our solar system. In view of its large orbital eccentricity, however, its exact nature remains unclear.

  7. Structure and electronic properties of ion pairs accompanying cyclic morpholinium cation and alkylphosphite anion based ionic liquids

    NASA Astrophysics Data System (ADS)

    Verma, Prakash L.; Singh, Priti; Gejji, Shridhar P.

    2017-07-01

    Molecular insights for the formation of ion pairs accompanying the cyclic ammonium cation based room temperature ionic liquids (RTILs) composed of alkyl substituted N-methylmorpholinium (RMMor) and alkylphosphite [(Rsbnd O)2PHdbnd O] (Rdbnd ethyl, butyl, hexyl, octyl) anion have been derived from the M06-2x level of theory. Electronic structures, binding energies, and spectral characteristics of the ion pairs underlying these RTILs have been characterized. The ion pair formation is largely governed by Csbnd H⋯O and other intermolecular interactions. Calculated binding energies increase with the increasing alkyl chain on either cation or alkylphosphite anion. The cation-anion binding reveals signature in the frequency down-(red) shift of the characteristic anionic Pdbnd O stretching whereas the Psbnd H stretching exhibits a shift in the opposite direction in vibrational spectra which has further been rationalized through molecular electron density topography. Correlations of measured electrochemical stability with the separation of frontier orbital energies and binding energies in the ion pairs have further been established.

  8. Searching for co-orbital planets by combining transit and radial-velocity measurements

    NASA Astrophysics Data System (ADS)

    Robutel, p.; Leleu, A.; Correia, A.; Lillo-Box, J.

    2017-09-01

    Co-orbital planetary systems consist of two planets orbiting with the same period a central star. If co-orbital bodies are common in the solar system and are also a natural output of planetary formation models, so far none have been found in extrasolar systems. This lack may be due to observational biases, since the main detection methods are unable to spot co-orbital companions when they are small or near the Lagrangian equilibrium points. We propose a simple method, based on an idea from Ford & Gaudi (2006), that allows the detection of co-orbital companions, and relies on a single parameter proportional to the mass ratio of the two planets. This method is applied to archival radial velocity data of 46 close-in transiting planets among which a few are strong candidates to harbor a co-orbital companion.

  9. The evolution of orbit orientation and encephalization in the Carnivora (Mammalia)

    PubMed Central

    Finarelli, John A; Goswami, Anjali

    2009-01-01

    Evolutionary change in encephalization within and across mammalian clades is well-studied, yet relatively few comparative analyses attempt to quantify the impact of evolutionary change in relative brain size on cranial morphology. Because of the proximity of the braincase to the orbits, and the inter-relationships among ecology, sensory systems and neuroanatomy, a relationship has been hypothesized between orbit orientation and encephalization for mammals. Here, we tested this hypothesis in 68 fossil and living species of the mammalian order Carnivora, comparing orbit orientation angles (convergence and frontation) to skull length and encephalization. No significant correlations were observed between skull length and orbit orientation when all taxa were analysed. Significant correlations were observed between encephalization and orbit orientation; however, these were restricted to the families Felidae and Canidae. Encephalization is positively correlated with frontation in both families and negatively correlated with convergence in canids. These results indicate that no universal relationship exists between encephalization and orbit orientation for Carnivora. Braincase expansion impacts orbit orientation in specific carnivoran clades, the nature of which is idiosyncratic to the clade itself. PMID:19438762

  10. Collisional cascading - The limits of population growth in low earth orbit

    NASA Technical Reports Server (NTRS)

    Kessler, Donald J.

    1991-01-01

    Random collisions between made-made objects in earth orbit will lead to a significant source of orbital debris, but there are a number of uncertainties in these models, and additional analysis and data are required to fully characterize the future environment. However, the nature of these uncertainties are such that while the future environment is uncertain, the fact that collisions will control the future environment is less uncertain. The data that already exist is sufficient to show that cascading collisions will control the future debris environment with no, or very minor increases in the current low-earth-orbit population. Two populations control this process: explosion fragments and expended rocket bodies and payloads. Practices are already changing to limit explosions in low earth orbit; it is necessary to begin limiting the number of expended rocket bodies and payloads in orbit.

  11. Orbital eccentricity of Mercury and the origin of the moon.

    NASA Technical Reports Server (NTRS)

    Cameron, A. G. W.

    1972-01-01

    The results of some recent work conducted by Anderson (1972) are considered. If Anderson is correct in his conclusion that the bulk composition of the moon resembles that of the Allende inclusions, then the natural place for the formation of the moon in the solar system is inside the orbit of Mercury, through planetary accumulation from the condensed material to be found there. This explains the anomalous large eccentricity of the orbit of Mercury.

  12. REPORT ON AN ORBITAL MAPPING SYSTEM.

    USGS Publications Warehouse

    Colvocoresses, Alden P.; ,

    1984-01-01

    During June 1984, the International Society for Photogrammetry and Remote Sensing accepted a committee report that defines an Orbital Mapping System (OMS) to follow Landsat and other Earth-sensing systems. The OMS involves the same orbital parameters of Landsats 1, 2, and 3, three wave bands (two in the visible and one in the near infrared) and continuous stereoscopic capability. The sensors involve solid-state linear arrays and data acquisition (including stereo) designed for one-dimensional data processing. It has a resolution capability of 10-m pixels and is capable of producing 1:50,000-scale image maps with 20-m contours. In addition to mapping, the system is designed to monitor the works of man as well as nature and in a cost-effective manner.

  13. The entangled triplet pair state in acene and heteroacene materials

    NASA Astrophysics Data System (ADS)

    Yong, Chaw Keong; Musser, Andrew J.; Bayliss, Sam L.; Lukman, Steven; Tamura, Hiroyuki; Bubnova, Olga; Hallani, Rawad K.; Meneau, Aurélie; Resel, Roland; Maruyama, Munetaka; Hotta, Shu; Herz, Laura M.; Beljonne, David; Anthony, John E.; Clark, Jenny; Sirringhaus, Henning

    2017-07-01

    Entanglement of states is one of the most surprising and counter-intuitive consequences of quantum mechanics, with potent applications in cryptography and computing. In organic materials, one particularly significant manifestation is the spin-entangled triplet-pair state, which mediates the spin-conserving fission of one spin-0 singlet exciton into two spin-1 triplet excitons. Despite long theoretical and experimental exploration, the nature of the triplet-pair state and inter-triplet interactions have proved elusive. Here we use a range of organic semiconductors that undergo singlet exciton fission to reveal the photophysical properties of entangled triplet-pair states. We find that the triplet pair is bound with respect to free triplets with an energy that is largely material independent (~30 meV). During its lifetime, the component triplets behave cooperatively as a singlet and emit light through a Herzberg-Teller-type mechanism, resulting in vibronically structured photoluminescence. In photovoltaic blends, charge transfer can occur from the bound triplet pairs with >100% photon-to-charge conversion efficiency.

  14. KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.

    PubMed

    Betz, Karin; Malyshev, Denis A; Lavergne, Thomas; Welte, Wolfram; Diederichs, Kay; Dwyer, Tammy J; Ordoukhanian, Phillip; Romesberg, Floyd E; Marx, Andreas

    2012-07-01

    Many candidate unnatural DNA base pairs have been developed, but some of the best-replicated pairs adopt intercalated structures in free DNA that are difficult to reconcile with known mechanisms of polymerase recognition. Here we present crystal structures of KlenTaq DNA polymerase at different stages of replication for one such pair, dNaM-d5SICS, and show that efficient replication results from the polymerase itself, inducing the required natural-like structure.

  15. Hidden Pair of Supermassive Black Holes

    NASA Astrophysics Data System (ADS)

    Kohler, Susanna

    2015-08-01

    Could a pair of supermassive black holes (SMBHs) be lurking at the center of the galaxy Mrk 231? A recent study finds that this may be the case and the unique spectrum of this galaxy could be the key to discovering more hidden binary SMBH systems.Where Are the Binary Supermassive Black Holes?Its believed that most, if not all, galaxies have an SMBH at their centers. As two galaxies merge, the two SMBHs should evolve into a closely-bound binary system before they eventually merge. Given the abundance of galaxy mergers, we would expect to see the kinematic and visual signatures of these binary SMBHs among observed active galactic nuclei yet such evidence for sub-parsec binary SMBH systems remains scarce and ambiguous. This has led researchers to wonder: is there another way that we might detect these elusive systems?A collaboration led by Chang-Shuo Yan (National Astronomical Observatories, Chinese Academy of Sciences) thinks that there is. The group suggests that these systems might have distinct signatures in their optical-to-UV spectra, and they identify a system that might be just such a candidate: Mrk 231.A Binary CandidateProposed model of Mrk 231. Two supermassive black holes, each with their own mini-disk, orbit each other in the center of a circumbinary disk. The secondary black hole has cleared gap in the circumbinary disk as a result of its orbit around the primary black hole. [Yan et al. 2015]Mrk 231 is a galaxy with a disturbed morphology and tidal tails strong clues that it might be in the final stages of a galactic merger. In addition to these signs, Mrk 231 also has an unusual spectrum for a quasar: its continuum emission displays an unexpected drop in the near-UV band.Yan and her collaborators propose that the odd behavior of Mrk 231s spectrum can be explained if the center of the galaxy houses a pair of SMBHs each with its own mini accretion disk surrounded by a circumbinary accretion disk. As the secondary SMBH orbits the primary SMBH (with a

  16. Synthesis, base pairing and structure studies of geranylated RNA.

    PubMed

    Wang, Rui; Vangaveti, Sweta; Ranganathan, Srivathsan V; Basanta-Sanchez, Maria; Haruehanroengra, Phensinee; Chen, Alan; Sheng, Jia

    2016-07-27

    Natural RNAs utilize extensive chemical modifications to diversify their structures and functions. 2-Thiouridine geranylation is a special hydrophobic tRNA modification that has been discovered very recently in several bacteria, such as Escherichia coli, Enterobacter aerogenes, Pseudomonas aeruginosa and Salmonella Typhimurium The geranylated residues are located in the first anticodon position of tRNAs specific for lysine, glutamine and glutamic acid. This big hydrophobic terpene functional group affects the codon recognition patterns and reduces frameshifting errors during translation. We aimed to systematically study the structure, function and biosynthesis mechanism of this geranylation pathway, as well as answer the question of why nature uses such a hydrophobic modification in hydrophilic RNA systems. Recently, we have synthesized the deoxy-analog of S-geranyluridine and showed the geranylated T-G pair is much stronger than the geranylated T-A pair and other mismatched pairs in the B-form DNA duplex context, which is consistent with the observation that the geranylated tRNA(Glu) UUC recognizes GAG more efficiently than GAA. In this manuscript we report the synthesis and base pairing specificity studies of geranylated RNA oligos. We also report extensive molecular simulation studies to explore the structural features of the geranyl group in the context of A-form RNA and its effect on codon-anticodon interaction during ribosome binding. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

  17. Search for natural supersymmetry in events with top quark pairs and photons in pp collisions at $$ \\sqrt{s}=8 $$ TeV

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sirunyan, A. M.; Tumasyan, A.; Adam, W.

    Here, results are presented from a search for natural gauge-mediated supersymmetry (SUSY) in a scenario in which the top squark is the lightest squark, the next-to-lightest SUSY particle is a bino-like neutralino, and the lightest SUSY particle is the gravitino. The strong production of top squark pairs can produce events with pairs of top quarks and neutralinos, with each bino-like neutralino decaying to a photon and a gravitino. The search is performed using a sample of pp collision data accumulated by the CMS experiment atmore » $$\\sqrt{s} = $$8 TeV, corresponding to an integrated luminosity of 19.7 fb$$^{-1}$$. The final state consists of a lepton (electron or muon), jets, and one or two photons. The imbalance in transverse momentum in the events is compared with the expected spectrum from standard model processes. No excess event yield is observed beyond the expected background, and the result is interpreted in the context of a general model of gauge-mediated SUSY breaking that leads to exclusion of top squark masses below 650-730 GeV.« less

  18. Search for natural supersymmetry in events with top quark pairs and photons in pp collisions at $$ \\sqrt{s}=8 $$ TeV

    DOE PAGES

    Sirunyan, A. M.; Tumasyan, A.; Adam, W.; ...

    2018-03-27

    Here, results are presented from a search for natural gauge-mediated supersymmetry (SUSY) in a scenario in which the top squark is the lightest squark, the next-to-lightest SUSY particle is a bino-like neutralino, and the lightest SUSY particle is the gravitino. The strong production of top squark pairs can produce events with pairs of top quarks and neutralinos, with each bino-like neutralino decaying to a photon and a gravitino. The search is performed using a sample of pp collision data accumulated by the CMS experiment atmore » $$\\sqrt{s} = $$8 TeV, corresponding to an integrated luminosity of 19.7 fb$$^{-1}$$. The final state consists of a lepton (electron or muon), jets, and one or two photons. The imbalance in transverse momentum in the events is compared with the expected spectrum from standard model processes. No excess event yield is observed beyond the expected background, and the result is interpreted in the context of a general model of gauge-mediated SUSY breaking that leads to exclusion of top squark masses below 650-730 GeV.« less

  19. Spin flip in single quantum ring with Rashba spin–orbit interation

    NASA Astrophysics Data System (ADS)

    Liu, Duan-Yang; Xia, Jian-Bai

    2018-03-01

    We theoretically investigate spin transport in the elliptical ring and the circular ring with Rashba spin–orbit interaction. It is shown that when Rashba spin–orbit interaction is relatively weak, a single circular ring can not realize spin flip, however an elliptical ring may work as a spin-inverter at this time, and the influence of the defect of the geometry is not obvious. Howerver if a giant Rashba spin–orbit interaction strength has been obtained, a circular ring can work as a spin-inverter with a high stability. Project supported by the National Natural Science Foundation of China (Grant No. 11504016).

  20. Measuring multi-configurational character by orbital entanglement

    NASA Astrophysics Data System (ADS)

    Stein, Christopher J.; Reiher, Markus

    2017-09-01

    One of the most critical tasks at the very beginning of a quantum chemical investigation is the choice of either a multi- or single-configurational method. Naturally, many proposals exist to define a suitable diagnostic of the multi-configurational character for various types of wave functions in order to assist this crucial decision. Here, we present a new orbital-entanglement-based multi-configurational diagnostic termed Zs(1). The correspondence of orbital entanglement and static (or non-dynamic) electron correlation permits the definition of such a diagnostic. We chose our diagnostic to meet important requirements such as well-defined limits for pure single-configurational and multi-configurational wave functions. The Zs(1) diagnostic can be evaluated from a partially converged, but qualitatively correct, and therefore inexpensive density matrix renormalisation group wave function as in our recently presented automated active orbital selection protocol. Its robustness and the fact that it can be evaluated at low cost make this diagnostic a practical tool for routine applications.

  1. The orbit properties of colliding co-orbiting bodies

    NASA Technical Reports Server (NTRS)

    Freeman, John W.

    1987-01-01

    It is generally assumed that an ensemble of small bodies located in similar Keplarian orbits will, because of collisions, tend to disperse into more and more dissimilar orbits. This theory was challenged. Alfven maintains that for the case where the time between collisions is longer than the orbit period and the collisions are essentially inelastic the orbits and velocities will become more similar. This gives rise to the concepts of negative diffusion and jet streams. It is proposed that this question might be investigated experimentally using the space station. The proposed experiment is briefly described.

  2. Orbits: Computer simulation

    NASA Technical Reports Server (NTRS)

    Muszynska, A.

    1985-01-01

    In rotating machinery dynamics an orbit (Lissajous curve) represents the dynamic path of the shaft centerline motion during shaft rotation and resulting precession. The orbit can be observed with an oscilloscope connected to XY promixity probes. The orbits can also be simulated by a computer. The software for HP computer simulates orbits for two cases: (1) Symmetric orbit with four frequency components with different radial amplitudes and relative phase angles; and (2) Nonsymmetric orbit with two frequency components with two different vertical/horizontal amplitudes and two different relative phase angles. Each orbit carries a Keyphasor mark (one-per-turn reference). The frequencies, amplitudes, and phase angles, as well as number of time steps for orbit computation, have to be chosen and introduced to the computer by the user. The orbit graphs can be observed on the computer screen.

  3. Equine orbital neoplasia: a review of 10 cases (1983-1998).

    PubMed Central

    Baptiste, K E; Grahn, B H

    2000-01-01

    The clinical manifestations, laboratory findings, and survival times of 10 horses with orbital neoplasms are reported. In all cases, orbital neoplasms were malignant and locally invasive with no defined surgical circumscribed edges. It was often difficult to identify the primary cell type of the neoplasia in histologic specimens due to the poorly differentiated, anaplastic nature of the majority of cases. All except one horse were eventually euthanized 2 mo to 5 y after diagnosis due to poor response to treatment, metastasis, or unrelenting orbital neoplasia. Mean survival time increased with surgical treatment, but no significant difference was found among no treatment, chemotherapy, surgical mass removal, or exenteration/enucleation. Equine practitioners should be aware of the marked difference in prognosis of orbital neoplasms compared with ocular or localized eyelid neoplasia. Images Figure 1. Figure 2. Figure 3. PMID:10769765

  4. Comparison of Low Earth Orbit and Geosynchronous Earth Orbits

    NASA Technical Reports Server (NTRS)

    Drummond, J. E.

    1980-01-01

    The technological, environmental, social, and political ramifications of low Earth orbits as compared to geosynchronous Earth orbits for the solar power satellite (SPS) are assessed. The capital cost of the transmitting facilities is dependent on the areas of the antenna and rectenna relative to the requirement of high efficiency power transmission. The salient features of a low orbit Earth orbits are discussed in terms of cost reduction efforts.

  5. High-Resolution Crystal Structure of a Silver(I)-RNA Hybrid Duplex Containing Watson-Crick-like C-Silver(I)-C Metallo-Base Pairs.

    PubMed

    Kondo, Jiro; Tada, Yoshinari; Dairaku, Takenori; Saneyoshi, Hisao; Okamoto, Itaru; Tanaka, Yoshiyuki; Ono, Akira

    2015-11-02

    Metallo-base pairs have been extensively studied for applications in nucleic acid-based nanodevices and genetic code expansion. Metallo-base pairs composed of natural nucleobases are attractive because nanodevices containing natural metallo-base pairs can be easily prepared from commercially available sources. Previously, we have reported a crystal structure of a DNA duplex containing T-Hg(II)-T base pairs. Herein, we have determined a high-resolution crystal structure of the second natural metallo-base pair between pyrimidine bases C-Ag(I)-C formed in an RNA duplex. One Ag(I) occupies the center between two cytosines and forms a C-Ag(I)-C base pair through N3-Ag(I)-N3 linear coordination. The C-Ag(I)-C base pair formation does not disturb the standard A-form conformation of RNA. Since the C-Ag(I)-C base pair is structurally similar to the canonical Watson-Crick base pairs, it can be a useful building block for structure-based design and fabrication of nucleic acid-based nanodevices. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Measurements of the STS orbiter's angular stability during in-orbit operations

    NASA Technical Reports Server (NTRS)

    Neupert, Werner M.; Epstein, Gabriel L.; Houston, James; Zarechnak, Andrew

    1995-01-01

    We report on measurements of the angular stability, commonly called 'jitter', of the STS Orbiter during normal operations in space. Measurements were carried out by measuring optically the Orbiter's roll and pitch orientation relative to the solar vector as the orbiter was held in a -Z(sub 0) solar inertial orientation (orbiter bay oriented toward the Sun). We also report observations of an interesting perturbation to the orbiter's orientation noted by the crew during the STS-60 mission. These data may be useful in analyzing the in-orbit response of the Orbiter to thruster firings and other applied torques, and may aid in the planning of future experiments that require fine-pointed operations by the orbiter.

  7. 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.

  8. Formation Flying Control Implementation in Highly Elliptical Orbits

    NASA Technical Reports Server (NTRS)

    Capo-Lugo, Pedro A.; Bainum, Peter M.

    2009-01-01

    The Tschauner-Hempel equations are widely used to correct the separation distance drifts between a pair of satellites within a constellation in highly elliptical orbits [1]. This set of equations was discretized in the true anomaly angle [1] to be used in a digital steady-state hierarchical controller [2]. This controller [2] performed the drift correction between a pair of satellites within the constellation. The objective of a discretized system is to develop a simple algorithm to be implemented in the computer onboard the satellite. The main advantage of the discrete systems is that the computational time can be reduced by selecting a suitable sampling interval. For this digital system, the amount of data will depend on the sampling interval in the true anomaly angle [3]. The purpose of this paper is to implement the discrete Tschauner-Hempel equations and the steady-state hierarchical controller in the computer onboard the satellite. This set of equations is expressed in the true anomaly angle in which a relation will be formulated between the time and the true anomaly angle domains.

  9. Overall view of the Orbiter Servicing Structure within the Orbiter ...

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

    Overall view of the Orbiter Servicing Structure within the Orbiter Processing Facility at Kennedy Space Center. Can you see any hint of the Orbiter Discovery? It is in there. - Space Transportation System, Orbiter Discovery (OV-103), Lyndon B. Johnson Space Center, 2101 NASA Parkway, Houston, Harris County, TX

  10. Spacetime and orbits of bumpy black holes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vigeland, Sarah J.; Hughes, Scott A.

    2010-01-15

    Our Universe contains a great number of extremely compact and massive objects which are generally accepted to be black holes. Precise observations of orbital motion near candidate black holes have the potential to determine if they have the spacetime structure that general relativity demands. As a means of formulating measurements to test the black hole nature of these objects, Collins and Hughes introduced ''bumpy black holes'': objects that are almost, but not quite, general relativity's black holes. The spacetimes of these objects have multipoles that deviate slightly from the black hole solution, reducing to black holes when the deviation ismore » zero. In this paper, we extend this work in two ways. First, we show how to introduce bumps which are smoother and lead to better behaved orbits than those in the original presentation. Second, we show how to make bumpy Kerr black holes--objects which reduce to the Kerr solution when the deviation goes to zero. This greatly extends the astrophysical applicability of bumpy black holes. Using Hamilton-Jacobi techniques, we show how a spacetime's bumps are imprinted on orbital frequencies, and thus can be determined by measurements which coherently track the orbital phase of a small orbiting body. We find that in the weak field, orbits of bumpy black holes are modified exactly as expected from a Newtonian analysis of a body with a prescribed multipolar structure, reproducing well-known results from the celestial mechanics literature. The impact of bumps on strong-field orbits is many times greater than would be predicted from a Newtonian analysis, suggesting that this framework will allow observations to set robust limits on the extent to which a spacetime's multipoles deviate from the black hole expectation.« less

  11. Diagnostic Approaches to Metastatic Hepatocellular Carcinoma of the Orbit.

    PubMed

    Geske, Michael J; Bloomer, Michele M; Kersten, Robert C; Vagefi, M Reza

    Orbital metastasis of hepatocellular carcinoma is exceedingly rare and caries a grave prognosis. Three cases of metastatic orbital hepatocellular carcinoma in which the primary tumor was initially unknown and the diagnostic challenges encountered are presented. With hepatocellular carcinoma, open biopsy and palliative tumor debulking has an increased bleeding risk due to the highly vascular nature of the tumor and coagulopathy associated with chronic liver disease. As an alternative, fine needle aspiration biopsy should be considered for hepatocellular carcinoma with a readily accessible mass and the availability of an experienced cytopathologist.

  12. Fermi Surface of Sr_{2}RuO_{4}: Spin-Orbit and Anisotropic Coulomb Interaction Effects.

    PubMed

    Zhang, Guoren; Gorelov, Evgeny; Sarvestani, Esmaeel; Pavarini, Eva

    2016-03-11

    The topology of the Fermi surface of Sr_{2}RuO_{4} is well described by local-density approximation calculations with spin-orbit interaction, but the relative size of its different sheets is not. By accounting for many-body effects via dynamical mean-field theory, we show that the standard isotropic Coulomb interaction alone worsens or does not correct this discrepancy. In order to reproduce experiments, it is essential to account for the Coulomb anisotropy. The latter is small but has strong effects; it competes with the Coulomb-enhanced spin-orbit coupling and the isotropic Coulomb term in determining the Fermi surface shape. Its effects are likely sizable in other correlated multiorbital systems. In addition, we find that the low-energy self-energy matrix-responsible for the reshaping of the Fermi surface-sizably differs from the static Hartree-Fock limit. Finally, we find a strong spin-orbital entanglement; this supports the view that the conventional description of Cooper pairs via factorized spin and orbital part might not apply to Sr_{2}RuO_{4}.

  13. Kepler orbits in the Stokesian sedimentation of discs

    NASA Astrophysics Data System (ADS)

    Chajwa, Rahul; Menon, Narayanan; Ramaswamy, Sriram

    We study experimentally the settling dynamics of a pair of falling discs in a viscous fluid (Re 10-4), in a quasi-two-dimensional geometry with the vector normal to the discs, and the trajectory of the centres of the discs, lying in a plane. For initial conditions that are symmetric about the settling direction, we find periodic or scattering orbits of the settling pair [S. Jung et al., PRE 74, 035302 (2006)], and account for these in a purely far-field analysis [S. Kim, Int J Multiphase Flow 11, 699 (1985)]. In particular, we show that the problem of a symmetrically settling pair of spheroids can be mapped to the Kepler two-body problem. The solution to this problem gives a sharp transition between bound and scattering trajectories which is consistent with experimental observations. For initial conditions where the motions of the particles are not symmetric about the settling direction, we obtain yet another separatrix between full rotations and periodic oscillations which we study within an effective Hamiltonian description of this inertialess and entirely dissipative dynamical system. Present addresses - RC: ICTS-TIFR, Hessarghatta, Bengaluru 560 089; NM: Physics Department, UMass Amherst MA 01003; SR: Dept of Physics, IISc, Bengaluru 560 012 SR was supported in part by a J C Bose Fellowship of the SERB, India.

  14. Deadly Sunflower Orbits

    NASA Astrophysics Data System (ADS)

    Hamilton, Douglas P.

    2018-04-01

    Solar radiation pressure is usually very effective at removing hazardous millimeter-sized debris from distant orbits around asteroidsand other small solar system bodies (Hamilton and Burns 1992). Theprimary loss mechanism, driven by the azimuthal component of radiationpressure, is eccentricity growth followed by a forced collision withthe central body. One large class of orbits, however, neatly sidestepsthis fate. Orbits oriented nearly perpendicular to the solar directioncan maintain their face-on geometry, oscillating slowly around a stableequilibrium orbit. These orbits, designated sunflower orbits, arerelated to terminator orbits studied by spacecraft mission designers(Broschart etal. 2014).Destabilization of sunflower orbits occurs only for particles smallenough that radiation pressure is some tens of percent the strength ofthe central body's direct gravity. This greatly enhanced stability,which follows from the inability of radiation incident normal to theorbit to efficiently drive eccentricities, presents a threat tospacecraft missions, as numerous dangerous projectiles are potentiallyretained in orbit. We have investigated sunflower orbits insupport of the New Horizons, Aida, and Lucy missions and find thatthese orbits are stable for hazardous particle sizes at asteroids,comets, and Kuiper belt objects of differing dimensions. Weinvestigate the sources and sinks for debris that might populate suchorbits, estimate timescales and equilibrium populations, and willreport on our findings.

  15. Effect of mannitol on globe and orbital volumes in humans.

    PubMed

    Weber, Adam C; Blandford, Alexander D; Costin, Bryan R; Perry, Julian D

    2018-03-01

    To determine the effect of intravenous mannitol on globe and orbital volumes. Retrospective chart review of a consecutive series of Cleveland Clinic Neurosurgical Intensive Care Unit patients who underwent computed tomographic imaging before and after intravenous mannitol administration. Volume measurements were performed according to a previously described technique by averaging axial image areas. Measurements before and after mannitol administration were compared using paired t-test. Fourteen patients (28 eyes) met inclusion criteria. Average globe volume decreased 186 mm 3 (-2.5%, p = 0.02) after mannitol administration, while average orbital volume increased 353 mm 3 (+3.5%, p = 0.04). Average globe volume change for subjects with follow-up scan less than 4.7 hours (mean 1.9 hours; range 0.2-4.5 hours) after mannitol administration was -125 mm 3 (-1.7%, p = 0.24) and average orbital volume change was +458 mm 3 (+5.1%, p = 0.11). Average globe volume change after mannitol administration for those with follow-up more than 4.7 hours (average 13.9 hours, range 4.9-24.7 hours) was -246 mm 3 (-3.3%, p = 0.05) and orbital volume change was +248 mm 3 (+2.2%, p = 0.24). Dividing the study population into groups based on mannitol dose did not yield any statistically significant change. Human globe volume decreases after intravenous mannitol administration, while orbital volume increases. These volume changes occur during the time period when intraocular pressure normalizes, after the pressure-lowering effects of the drug. This novel volumetric information improves our understanding of mannitol's mechanism of action and its effects on human ocular and periocular tissues.

  16. Normal-Mode Analysis of Circular DNA at the Base-Pair Level. 2. Large-Scale Configurational Transformation of a Naturally Curved Molecule.

    PubMed

    Matsumoto, Atsushi; Tobias, Irwin; Olson, Wilma K

    2005-01-01

    Fine structural and energetic details embedded in the DNA base sequence, such as intrinsic curvature, are important to the packaging and processing of the genetic material. Here we investigate the internal dynamics of a 200 bp closed circular molecule with natural curvature using a newly developed normal-mode treatment of DNA in terms of neighboring base-pair "step" parameters. The intrinsic curvature of the DNA is described by a 10 bp repeating pattern of bending distortions at successive base-pair steps. We vary the degree of intrinsic curvature and the superhelical stress on the molecule and consider the normal-mode fluctuations of both the circle and the stable figure-8 configuration under conditions where the energies of the two states are similar. To extract the properties due solely to curvature, we ignore other important features of the double helix, such as the extensibility of the chain, the anisotropy of local bending, and the coupling of step parameters. We compare the computed normal modes of the curved DNA model with the corresponding dynamical features of a covalently closed duplex of the same chain length constructed from naturally straight DNA and with the theoretically predicted dynamical properties of a naturally circular, inextensible elastic rod, i.e., an O-ring. The cyclic molecules with intrinsic curvature are found to be more deformable under superhelical stress than rings formed from naturally straight DNA. As superhelical stress is accumulated in the DNA, the frequency, i.e., energy, of the dominant bending mode decreases in value, and if the imposed stress is sufficiently large, a global configurational rearrangement of the circle to the figure-8 form takes place. We combine energy minimization with normal-mode calculations of the two states to decipher the configurational pathway between the two states. We also describe and make use of a general analytical treatment of the thermal fluctuations of an elastic rod to characterize the

  17. 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.

  18. Heteroclinic connections between periodic orbits and resonance transitions in celestial mechanics

    NASA Astrophysics Data System (ADS)

    Koon, Wang Sang; Lo, Martin W.; Marsden, Jerrold E.; Ross, Shane D.

    2000-06-01

    In this paper we apply dynamical systems techniques to the problem of heteroclinic connections and resonance transitions in the planar circular restricted three-body problem. These related phenomena have been of concern for some time in topics such as the capture of comets and asteroids and with the design of trajectories for space missions such as the Genesis Discovery Mission. The main new technical result in this paper is the numerical demonstration of the existence of a heteroclinic connection between pairs of periodic orbits: one around the libration point L1 and the other around L2, with the two periodic orbits having the same energy. This result is applied to the resonance transition problem and to the explicit numerical construction of interesting orbits with prescribed itineraries. The point of view developed in this paper is that the invariant manifold structures associated to L1 and L2 as well as the aforementioned heteroclinic connection are fundamental tools that can aid in understanding dynamical channels throughout the solar system as well as transport between the ``interior'' and ``exterior'' Hill's regions and other resonant phenomena.

  19. Lunar orbiting prospector

    NASA Technical Reports Server (NTRS)

    1988-01-01

    One of the prime reasons for establishing a manned lunar presence is the possibility of using the potential lunar resources. The Lunar Orbital Prospector (LOP) is a lunar orbiting platform whose mission is to prospect and explore the Moon from orbit in support of early lunar colonization and exploitation efforts. The LOP mission is divided into three primary phases: transport from Earth to low lunar orbit (LLO), operation in lunar orbit, and platform servicing in lunar orbit. The platform alters its orbit to obtain the desired surface viewing, and the orbit can be changed periodically as needed. After completion of the inital remote sensing mission, more ambitious and/or complicated prospecting and exploration missions can be contemplated. A refueled propulsion module, updated instruments, or additional remote sensing packages can be flown up from the lunar base to the platform.

  20. Multi-Orbital contributions in High Harmonic Generation

    NASA Astrophysics Data System (ADS)

    Guehr, Markus

    2009-05-01

    The high harmonic spectrum generated from atoms or molecules in a strong laser field contains information about the electronic structure of the generation medium. In the high harmonic generation (HHG) process, a free electron wave packet tunnel-ionizes from the molecular orbital in a strong laser field. After being accelerated by the laser electric field, the free electron wave packet coherently recombines to the orbital from which is was initially ionized, thereby emitting the harmonic spectrum. Interferences between the free electron wave packet and the molecular orbital will shape the spectrum in a characteristic way. These interferences have been used to tomographically image the highest occupied molecular orbital (HOMO) of N2 [1]. Molecular electronic states energetically below the HOMO should contribute to laser-driven high harmonic generation (HHG), but this behavior has not been observed previously. We have observed evidence of HHG from multiple orbitals in aligned N2 [2]. The tunneling ionization (and therefore the harmonic generation) is most efficient if the orbital has a large extension in the direction of the harmonic generation polarization. The HOMO with its σg symmetry therefore dominates the harmonic spectrum if the molecular axis is parallel to the harmonic generation polarization, the lower bound πu HOMO-1 dominates in the perpendicular case. The HOMO contributions appear as a regular plateau with a cutoff in the HHG spectrum. In contrast, the HOMO-1 signal is strongly peaked in the cutoff region. We explain this by semi-classical simulations of the recombination process that show constructive interferences between the HOMO-1 and the recombining wave packet in the cutoff region. The ability to monitor several orbitals opens the route to imaging coherent superpositions of electronic orbitals. [1] J. Itatani et al., Nature 432, 867 (2004)[2] B. K. McFarland, J. P. Farrell, P. H. Bucksbaum and M. Gühr, Science 322, 1232 (2008)

  1. Orbital evolution of small binary asteroids

    NASA Astrophysics Data System (ADS)

    Ćuk, Matija; Nesvorný, David

    2010-06-01

    About 15% of both near-Earth and main-belt asteroids with diameters below 10 km are now known to be binary. These small asteroid binaries are relatively uniform and typically contain a fast-spinning, flattened primary and a synchronously rotating, elongated secondary that is 20-40% as large (in diameter) as the primary. The principal formation mechanism for these binaries is now thought to be YORP (Yarkovsky-O'Keefe-Radzievskii-Paddack) effect induced spin-up of the primary followed by mass loss and accretion of the secondary from the released material. It has previously been suggested (Ćuk, M. [2007]. Astrophys. J. 659, L57-L60) that the present population of small binary asteroids is in a steady state between production through YORP and destruction through binary YORP (BYORP), which should increase or decrease secondary's orbit, depending on the satellite's shape. However, BYORP-driven evolution has not been directly modeled until now. Here we construct a simple numerical model of the binary's orbital as well the secondary's rotational dynamics which includes BYORP and selected terms representing main solar perturbations. We find that many secondaries should be vulnerable to chaotic rotation even for relatively low-eccentricity mutual orbits. We also find that the precession of the mutual orbit for typical small binary asteroids might be dominated by the perturbations from the prolate and librating secondary, rather than the oblate primary. When we evolve the mutual orbit by BYORP we find that the indirect effects on the binary's eccentricity (through the coupling between the orbit and the secondary's spin) dominate over direct ones caused by the BYORP acceleration. In particular, outward evolution causes eccentricity to increase and eventually triggers chaotic rotation of the secondary. We conclude that the most likely outcome will be reestablishing of the synchronous lock with a "flipped" secondary which would then evolve back in. For inward evolution we find

  2. Design, Integration and Flight Test of a Pair of Autonomous Spacecraft Flying in Formation

    DTIC Science & Technology

    2013-05-01

    representatives from the Air Force Research Laboratory, NASA’s Goddard Space Flight Center, the Jet Propulsion Laboratory, Boeing, Lockheed Martin, as...categories: elliptical , hyperbolic and parabolic (known as “Keplerian orbits”), each with their own characteristics and applications. These equations...of M-SAT’s operation is that of an elliptical nature, or more precisely a near-circular orbit. The primary method of determining the orbital elements

  3. The Orbit of X Persei and Its Neutron Star Companion

    NASA Astrophysics Data System (ADS)

    Delgado-Martí, Hugo; Levine, Alan M.; Pfahl, Eric; Rappaport, Saul A.

    2001-01-01

    We have observed the Be/X-ray pulsar binary system X Per/4U 0352+30 on 61 occasions spanning an interval of 600 days with the PCA instrument on board the Rossi X-Ray Timing Explorer (RXTE). Pulse timing analyses of the 837 s pulsations yield strong evidence for the presence of orbital Doppler delays. We confirm the Doppler delays by using measurements made with the All Sky Monitor (ASM) on RXTE. We infer that the orbit is characterized by a period Porb=250 days, a projected semimajor axis of the neutron star axsini=454 lt-s, a mass function f(M)=1.61 Msolar, and a modest eccentricity e=0.11. The measured orbital parameters, together with the known properties of the classical Be star X Per, imply a semimajor axis a=1.8-2.2 AU and an orbital inclination i~26deg-33deg. We discuss the formation of the system in the context of the standard evolutionary scenario for Be/X-ray binaries. We find that the system most likely formed from a pair of massive progenitor stars and probably involved a quasi-stable and nearly conservative transfer of mass from the primary to the secondary. We find that the He star remnant of the primary most likely had a mass <~6 Msolar after mass transfer. If the supernova explosion was completely symmetric, then the present orbital eccentricity indicates that <~4 Msolar was ejected from the binary. If, on the other hand, the neutron star received at birth a ``kick'' of the type often inferred from the velocity distribution of isolated radio pulsars, then the resultant orbital eccentricity would likely have been substantially larger than 0.11. We have carried out a Monte Carlo study of the effects of such natal kicks and find that there is less than a 1% probability of a system like that of X Per forming with an orbital eccentricity e<~0.11. We speculate that there may be a substantial population of neutron stars formed with little or no kick. Finally, we discuss the connected topics of the wide orbit and accretion by the neutron star from a stellar

  4. Human Mars Mission: Launch Window from Earth Orbit. Pt. 1

    NASA Technical Reports Server (NTRS)

    Young, Archie

    1999-01-01

    The determination of orbital window characteristics is of major importance in the analysis of human interplanetary missions and systems. The orbital launch window characteristics are directly involved in the selection of mission trajectories, the development of orbit operational concepts, and the design of orbital launch systems. The orbital launch window problem arises because of the dynamic nature of the relative geometry between outgoing (departure) asymptote of the hyperbolic escape trajectory and the earth parking orbit. The orientation of the escape hyperbola asymptotic relative to earth is a function of time. The required hyperbola energy level also varies with time. In addition, the inertial orientation of the parking orbit is a function of time because of the perturbations caused by the Earth's oblateness. Thus, a coplanar injection onto the escape hyperbola can be made only at a point in time when the outgoing escape asymptote is contained by the plane of parking orbit. Even though this condition may be planned as a nominal situation, it will not generally represent the more probable injection geometry. The general case of an escape injection maneuver performed at a time other than the coplanar time will involve both a path angle and plane change and, therefore, a DELTA V penalty. Usually, because of the DELTA V penalty the actual departure injection window is smaller in duration than that determined by energy requirement alone. This report contains the formulation, characteristics, and test cases for five different launch window modes for Earth orbit. These modes are: (1) One impulsive maneuver from a Highly Elliptical Orbit (HEO) (2) Two impulsive maneuvers from a Highly Elliptical Orbit (HEO) (3) One impulsive maneuver from a Low Earth Orbit (LEO) (4) Two impulsive maneuvers from LEO (5) Three impulsive maneuvers from LEO.

  5. Weird Stellar Pair Puzzles Scientists

    NASA Astrophysics Data System (ADS)

    2008-05-01

    Astronomers have discovered a speedy spinning pulsar in an elongated orbit around an apparent Sun-like star, a combination never seen before, and one that has them puzzled about how the strange system developed. Orbital Comparison Comparing Orbits of Pulsar and Its Companion to our Solar System. CREDIT: Bill Saxton, NRAO/AUI/NSF Click on image for full caption information and available graphics. "Our ideas about how the fastest-spinning pulsars are produced do not predict either the kind of orbit or the type of companion star this one has," said David Champion of the Australia Telescope National Facility. "We have to come up with some new scenarios to explain this weird pair," he added. Astronomers first detected the pulsar, called J1903+0327, as part of a long-term survey using the National Science Foundation's Arecibo radio telescope in Puerto Rico. They made the discovery in 2006 doing data analysis at McGill University, where Champion worked at the time. They followed up the discovery with detailed studies using the Arecibo telescope, the NSF's Robert C. Byrd Green Bank Telescope (GBT) in West Virginia, the Westerbork radio telescope in the Netherlands, and the Gemini North optical telescope in Hawaii. The pulsar, a city-sized superdense stellar corpse left over after a massive star exploded as a supernova, is spinning on its axis 465 times every second. Nearly 21,000 light-years from Earth, it is in a highly-elongated orbit that takes it around its companion star once every 95 days. An infrared image made with the Gemini North telescope in Hawaii shows a Sun-like star at the pulsar's position. If this is an orbital companion to the pulsar, it is unlike any companions of other rapidly rotating pulsars. The pulsar, a neutron star, also is unusually massive for its type. "This combination of properties is unprecedented. Not only does it require us to figure out how this system was produced, but the large mass may help us understand how matter behaves at extremely

  6. Dirac cone pairs in silicene induced by interface Si-Ag hybridization: A first-principles effective band study

    NASA Astrophysics Data System (ADS)

    Lian, Chao; Meng, Sheng

    2017-06-01

    Using density functional theory combined with orbital-selective band unfolding techniques, we study the effective band structure of silicene (3 ×3 )/Ag(111) (4 ×4 ) structure. Consistent with the ARPES spectra recently obtained by [Feng et al. Proc. Natl. Acad. Sci. USA 113, 14656 (2016), 10.1073/pnas.1613434114], we observe six pairs of Dirac cones near the boundary of the Brillouin zone (BZ) of Ag (1 ×1 ) , while no Dirac cone is observed inside the BZ. Furthermore, we find that these Dirac cones are induced by the interfacial Si-Ag hybridization, mainly composed of Si pz orbitals and Ag s p bands, which is intrinsically different from the Dirac cones in free-standing silicene.

  7. Forbidden tangential orbit transfers between intersecting Keplerian orbits

    NASA Technical Reports Server (NTRS)

    Burns, Rowland E.

    1990-01-01

    The classical problem of tangential impulse transfer between coplanar Keplerian orbits is addressed. A completely analytic solution which does not rely on sequential calculation is obtained and this solution is used to demonstrate that certain initially chosen angles can produce singularities in the parameters of the transfer orbit. A necessary and sufficient condition for such singularities is that the initial and final orbits intersect.

  8. The entangled triplet pair state in acene and heteroacene materials

    PubMed Central

    Yong, Chaw Keong; Musser, Andrew J.; Bayliss, Sam L.; Lukman, Steven; Tamura, Hiroyuki; Bubnova, Olga; Hallani, Rawad K.; Meneau, Aurélie; Resel, Roland; Maruyama, Munetaka; Hotta, Shu; Herz, Laura M.; Beljonne, David; Anthony, John E.; Clark, Jenny; Sirringhaus, Henning

    2017-01-01

    Entanglement of states is one of the most surprising and counter-intuitive consequences of quantum mechanics, with potent applications in cryptography and computing. In organic materials, one particularly significant manifestation is the spin-entangled triplet-pair state, which mediates the spin-conserving fission of one spin-0 singlet exciton into two spin-1 triplet excitons. Despite long theoretical and experimental exploration, the nature of the triplet-pair state and inter-triplet interactions have proved elusive. Here we use a range of organic semiconductors that undergo singlet exciton fission to reveal the photophysical properties of entangled triplet-pair states. We find that the triplet pair is bound with respect to free triplets with an energy that is largely material independent (∼30 meV). During its lifetime, the component triplets behave cooperatively as a singlet and emit light through a Herzberg–Teller-type mechanism, resulting in vibronically structured photoluminescence. In photovoltaic blends, charge transfer can occur from the bound triplet pairs with >100% photon-to-charge conversion efficiency. PMID:28699637

  9. Magnetism, superconductivity, and spontaneous orbital order in iron-based superconductors: Which comes first and why?

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chubukov, Andrey V.; Khodas, M.; Fernandes, Rafael M.

    Magnetism and nematic order are the two nonsuperconducting orders observed in iron-based superconductors. To elucidate the interplay between them and ultimately unveil the pairing mechanism, several models have been investigated. In models with quenched orbital degrees of freedom, magnetic fluctuations promote stripe magnetism, which induces orbital order. In models with quenched spin degrees of freedom, charge fluctuations promote spontaneous orbital order, which induces stripe magnetism. Here, we develop an unbiased approach, in which we treat magnetic and orbital fluctuations on equal footing. Key to our approach is the inclusion of the orbital character of the low-energy electronic states into renormalizationmore » group (RG) analysis. We analyze the RG flow of the couplings and argue that the same magnetic fluctuations, which are known to promote s ± superconductivity, also promote an attraction in the orbital channel, even if the bare orbital interaction is repulsive. We next analyze the RG flow of the susceptibilities and show that, if all Fermi pockets are small, the system first develops a spontaneous orbital order, then s ± superconductivity, and magnetic order does not develop down to T=0. We argue that this scenario applies to FeSe. In systems with larger pockets, such as BaFe 2As 2 and LaFeAsO, we find that the leading instability is either towards a spin-density wave or superconductivity. We argue that in this situation nematic order is caused by composite spin fluctuations and is vestigial to stripe magnetism. Finally, our results provide a unifying description of different iron-based materials.« less

  10. Magnetism, superconductivity, and spontaneous orbital order in iron-based superconductors: Which comes first and why?

    DOE PAGES

    Chubukov, Andrey V.; Khodas, M.; Fernandes, Rafael M.

    2016-12-02

    Magnetism and nematic order are the two nonsuperconducting orders observed in iron-based superconductors. To elucidate the interplay between them and ultimately unveil the pairing mechanism, several models have been investigated. In models with quenched orbital degrees of freedom, magnetic fluctuations promote stripe magnetism, which induces orbital order. In models with quenched spin degrees of freedom, charge fluctuations promote spontaneous orbital order, which induces stripe magnetism. Here, we develop an unbiased approach, in which we treat magnetic and orbital fluctuations on equal footing. Key to our approach is the inclusion of the orbital character of the low-energy electronic states into renormalizationmore » group (RG) analysis. We analyze the RG flow of the couplings and argue that the same magnetic fluctuations, which are known to promote s ± superconductivity, also promote an attraction in the orbital channel, even if the bare orbital interaction is repulsive. We next analyze the RG flow of the susceptibilities and show that, if all Fermi pockets are small, the system first develops a spontaneous orbital order, then s ± superconductivity, and magnetic order does not develop down to T=0. We argue that this scenario applies to FeSe. In systems with larger pockets, such as BaFe 2As 2 and LaFeAsO, we find that the leading instability is either towards a spin-density wave or superconductivity. We argue that in this situation nematic order is caused by composite spin fluctuations and is vestigial to stripe magnetism. Finally, our results provide a unifying description of different iron-based materials.« less

  11. Magnetic Correlations and Pairing in the 1/5-Depleted Square Lattice Hubbard Model

    DOE PAGES

    Khatemi, Ehsan; Singh, Rajiv R. P.; Pickett, Warren E.; ...

    2014-09-04

    We study the single-orbital Hubbard model on the 1/5-depleted square-lattice geometry, which arises in such diverse systems as the spin-gap magnetic insulator CaV 4O 9 and ordered-vacancy iron selenides, presenting new issues regarding the origin of both magnetic ordering and superconductivity in these materials. We find a rich phase diagram that includes a plaquette singlet phase, a dimer singlet phase, a Néel and a block-spin antiferromagnetic phase, and stripe phases. Quantum Monte Carlo simulations show that the dominant pairing correlations at half filling change character from d wave in the plaquette phase to extended s wave upon transition to themore » Néel phase. These findings have intriguing connections to iron-based superconductors, and suggest that some physics of multiorbital systems can be captured by a single-orbital model at different dopings.« less

  12. Single-Frequency GPS Relative Navigation in a High Ionosphere Orbital Environment

    NASA Technical Reports Server (NTRS)

    Conrad, Patrick R.; Naasz, Bo J.

    2007-01-01

    The Global Positioning System (GPS) provides a convenient source for space vehicle relative navigation measurements, especially for low Earth orbit formation flying and autonomous rendezvous mission concepts. For single-frequency GPS receivers, ionospheric path delay can be a significant error source if not properly mitigated. In particular, ionospheric effects are known to cause significant radial position error bias and add dramatically to relative state estimation error if the onboard navigation software does not force the use of measurements from common or shared GPS space vehicles. Results from GPS navigation simulations are presented for a pair of space vehicles flying in formation and using GPS pseudorange measurements to perform absolute and relative orbit determination. With careful measurement selection techniques relative state estimation accuracy to less than 20 cm with standard GPS pseudorange processing and less than 10 cm with single-differenced pseudorange processing is shown.

  13. Frozen Orbits-Near Constant or Beneficially Varying Orbital Parameters.

    DTIC Science & Technology

    1986-05-15

    89 6.3 Equatorial Near-Circular Orbits ............................... 92 6.4 Stable and Unstable Equilibrium Points ...Angle Libration Period......................................... 78 5-2 Lunar Gravitational Effect on Near-Circular Orbits .................... 80 5-3...6-1 Period of Oscillation about the Stable Equilibrium Point ............... 102 FIGURES Figure 2.1 Orbital Parameters

  14. Probing long-range carrier-pair spin–spin interactions in a conjugated polymer by detuning of electrically detected spin beating

    PubMed Central

    van Schooten, Kipp J.; Baird, Douglas L.; Limes, Mark E.; Lupton, John M.; Boehme, Christoph

    2015-01-01

    Weakly coupled electron spin pairs that experience weak spin–orbit interaction can control electronic transitions in molecular and solid-state systems. Known to determine radical pair reactions, they have been invoked to explain phenomena ranging from avian magnetoreception to spin-dependent charge-carrier recombination and transport. Spin pairs exhibit persistent spin coherence, allowing minute magnetic fields to perturb spin precession and thus recombination rates and photoreaction yields, giving rise to a range of magneto-optoelectronic effects in devices. Little is known, however, about interparticle magnetic interactions within such pairs. Here we present pulsed electrically detected electron spin resonance experiments on poly(styrene-sulfonate)-doped poly(3,4-ethylenedioxythiophene) (PEDOT:PSS) devices, which show how interparticle spin–spin interactions (magnetic-dipolar and spin-exchange) between charge-carrier spin pairs can be probed through the detuning of spin-Rabi oscillations. The deviation from uncoupled precession frequencies quantifies both the exchange (<30 neV) and dipolar (23.5±1.5 neV) interaction energies responsible for the pair's zero-field splitting, implying quantum mechanical entanglement of charge-carrier spins over distances of 2.1±0.1 nm. PMID:25868686

  15. Unique Non-Keplerian Orbit Vantage Locations for Sun-Earth Connection and Earth Science Vision Roadmaps

    NASA Technical Reports Server (NTRS)

    Folta, David; Young, Corissa; Ross, Adam

    2001-01-01

    The purpose of this investigation is to determine the feasibility of attaining and maintaining unique non-Keplerian orbit vantage locations in the Earth/Moon environment in order to obtain continuous scientific measurements. The principal difficulty associated with obtaining continuous measurements is the temporal nature of astrodynamics, i.e., classical orbits. This investigation demonstrates advanced trajectory designs to meet demanding science requirements which cannot be met following traditional orbital mechanic logic. Examples of continuous observer missions addressed include Earth pole-sitters and unique vertical libration orbits that address Sun-Earth Connection and Earth Science Vision roadmaps.

  16. Rashba spin-orbit coupling and orbital chirality in magnetic bilayers

    NASA Astrophysics Data System (ADS)

    Lee, Hyun-Woo

    2013-03-01

    The phenomenon of the Rashba spin-orbit coupling is examined theoretically for an ultrathin magnetic layer in contact with a non-magnetic heavy metal layer. From first-principles calculation, large Rashba parameter of order 1 eV .Å is obtained, which is strong enough to generate large spin transfer torque of spin-orbit coupling origin. Large Rashba parameter is attributed to the orbital mixing of 3 d magnetic atoms and non-magnetic heavy elements with significant atomic spin-orbit coupling. Interestingly the magnitude and sign of the parameter vary from energy bands to bands, which we attribute to band-specific chiral ordering of orbital angular momentum. Through a simple tight-binding model analysis, we demonstrate that d-orbital hybridization allowed by the breaking of structural inversion symmetry generates band-specific chiral ordering of orbital angular momentum, which combines with atomic spin-orbit coupling to give rise to band-specific Rashba parameter. The band-dependence of the Rashba parameter is discussed in connection with recent experiments and we argue that the dependence may be utilized to enhance device application potentials. This work is supported by NRF grant (2010-0008529, 2011-0015631, 2010-0014109, 2011-0030789).

  17. The Disposal of Spacecraft and Launch Vehicle Stages in Low Earth Orbit

    NASA Technical Reports Server (NTRS)

    Johnson, Nicholas L.

    2007-01-01

    Spacecraft and launch vehicle stages abandoned in Earth orbit have historically been a primary source of debris from accidental explosions. In the future, such satellites will become the principal cause of orbital debris via inadvertent collisions. To curtail both the near-term and far-term risks posed by derelict spacecraft and launch vehicle stages to operational space systems, numerous national and international orbital debris mitigation guidelines specifically recommend actions which could prevent or limit such future debris generation. Although considerable progress has been made in implementing these recommendations, some changes to existing vehicle designs can be difficult. Moreover, the nature of some missions also can present technological and budgetary challenges to be compliant with widely accepted orbital debris mitigation measures.

  18. Natural fertility in whooping cranes and Mississippi sandhill cranes at Patuxent Wildlife Research Center

    USGS Publications Warehouse

    Nicolich, Jane M.; Gee, G.F.; Ellis, D.H.; Hereford, Scott G.

    2001-01-01

    The first fertile whooping crane (Grus americana; WC) egg produced through natural breeding at Patuxent Wildlife Research Center (Patuxent) was laid in 1991. Prior to that time, all fertile whooping crane eggs were the result of artificial insemination. Since 1991, eight different whooping crane pairs at Patuxent have produced fertile eggs through natural breeding. Mean fertility averages over years for each pair range from 40% to 93%. Fertility rates for each pair also vary greatly between years, from 0% to 100% but the causes of the variance are unknown. Experiences with natural fertility in Mississippi sandhill cranes (G. canadensis pulla; MSC) have been similar. Annual natural fertility rates averaged from 21% to 89% and fertility averages for each of 7 pairs also varied greatly between years. Rearing methods have not determined success in natural breeding for either species. Both hand-reared and parent-reared pairs have been fertile. Wing condition, however, has been an important factor affecting natural fertility. Becausce artificial insemination (AI) generally results in higher fertility rates than natural breeding, Al should continue for some pairs.

  19. Spin-Orbital Excitations in Ca2 RuO4 Revealed by Resonant Inelastic X-Ray Scattering

    NASA Astrophysics Data System (ADS)

    Das, L.; Forte, F.; Fittipaldi, R.; Fatuzzo, C. G.; Granata, V.; Ivashko, O.; Horio, M.; Schindler, F.; Dantz, M.; Tseng, Yi; McNally, D. E.; Rønnow, H. M.; Wan, W.; Christensen, N. B.; Pelliciari, J.; Olalde-Velasco, P.; Kikugawa, N.; Neupert, T.; Vecchione, A.; Schmitt, T.; Cuoco, M.; Chang, J.

    2018-01-01

    The strongly correlated insulator Ca2 RuO4 is considered as a paradigmatic realization of both spin-orbital physics and a band-Mott insulating phase, characterized by orbitally selective coexistence of a band and a Mott gap. We present a high resolution oxygen K -edge resonant inelastic x-ray scattering study of the antiferromagnetic Mott insulating state of Ca2 RuO4 . A set of low-energy (about 80 and 400 meV) and high-energy (about 1.3 and 2.2 eV) excitations are reported, which show strong incident light polarization dependence. Our results strongly support a spin-orbit coupled band-Mott scenario and explore in detail the nature of its exotic excitations. Guided by theoretical modeling, we interpret the low-energy excitations as a result of composite spin-orbital excitations. Their nature unveils the intricate interplay of crystal-field splitting and spin-orbit coupling in the band-Mott scenario. The high-energy excitations correspond to intra-atomic singlet-triplet transitions at an energy scale set by Hund's coupling. Our findings give a unifying picture of the spin and orbital excitations in the band-Mott insulator Ca2 RuO4 .

  20. Jahn-Teller versus quantum effects in the spin-orbital material LuVO 3

    DOE PAGES

    Skoulatos, M.; Toth, S.; Roessli, B.; ...

    2015-04-13

    In this article, we report on combined neutron and resonant x-ray scattering results, identifying the nature of the spin-orbital ground state and magnetic excitations in LuVO 3 as driven by the orbital parameter. In particular, we distinguish between models based on orbital-Peierls dimerization, taken as a signature of quantum effects in orbitals, and Jahn-Teller distortions, in favor of the latter. In order to solve this long-standing puzzle, polarized neutron beams were employed as a prerequisite in order to solve details of the magnetic structure, which allowed quantitative intensity analysis of extended magnetic-excitation data sets. The results of this detailed studymore » enabled us to draw definite conclusions about the classical versus quantum behavior of orbitals in this system and to discard the previous claims about quantum effects dominating the orbital physics of LuVO 3 and similar systems.« less

  1. High-seniority states in spherical nuclei: Triple pair breaking in tin isotopes

    NASA Astrophysics Data System (ADS)

    Astier, Alain

    2013-03-01

    The 119-126Sn nuclei have been produced as fission fragments in two reactions induced by heavy ions: 12C+238U at 90 MeV bombarding energy, 18O+208Pb at 85 MeV. Their level schemes have been built from gamma rays detected using the Euroball array. High-spin states located above the long-lived isomeric states of the even- A and odd-A 120-126Sn nuclei have been identified. Moreover isomeric states lying around 4.5 MeV have been established in the even-A 120-126Sn from the delayed coincidences between the fission fragment detector SAPhIR and the Euroball array. All the states located above 3-MeV excitation energy are ascribed to several broken pairs of neutrons occupying the h11/2 orbit. The maximum value of angular momentum available in such a high-j shell, i.e. for mid-occupation and the breaking of the three neutron pairs (seniority v=6), has been identified.

  2. Implementing Recommendations of the Columbia Accident Investigation Board: Development of On-Orbit IR Thermography

    NASA Technical Reports Server (NTRS)

    Ottens, Brian P.; Parker, Bradford; Stephan, Ryan

    2005-01-01

    One of NASA's Space Shuttle Return-to-Flight (RTF) efforts has been to develop thermography for the on-orbit inspection of the Reinforced Carbon Carbon (RCC) portion of the Orbiter Wing Leading Edge (WLE). This paper addresses the capability of thermography to detect cracks in RCC by using in-plane thermal gradients that naturally occur on-orbit. Crack damage, which can result from launch debris impact, is a detection challenge for other on-orbit sensors under consideration for RTF, such as the Intensified Television Camera and Laser Dynamic Range Imager. We studied various cracks in RCC, both natural and simulated, along with material characteristics, such as emissivity uniformity, in steady-state thermography. Severity of crack, such as those likely and unlikely to cause burn through were tested, both in-air and in-vacuum, and the goal of this procedure was to assure crew and vehicle safety during reentry by identification and quantification of a damage condition while on-orbit. Expected thermal conditions are presented in typical shuttle orbits, and the expected damage signatures for each scenario are presented. Finally, through statistical signal detection, our results show that even at very low in-plane thermal gradients, we are able to detect damage at or below the threshold for fatality in the most critical sections of the WLE, with a confidence exceeding 1 in 10,000 probability of false negative.

  3. Implementing Recommendations of the Columbia Accident Investigation Board - Development of on-Orbit RCC Thermography

    NASA Technical Reports Server (NTRS)

    Ottens, Brian; Parker, Brad; Stephen, Ryan

    2005-01-01

    One of NASA s Space Shuttle Return-to-Flight (RTF) efforts has been to develop thermography for the on-orbit inspection of the Reinforced Carbon Carbon (RCC) portion of the Orbiter Wing Leading Edge (WLE). This paper addresses the capability of thermography to detect cracks in RCC by using in-plane thermal gradients that naturally occur on-orbit. Crack damage, which can result from launch debris impact, is a detection challenge for other on-orbit sensors under consideration for RTF, such as the Intensified Television Camera and Laser Dynamic Range Imager. We studied various cracks in RCC, both natural and simulated, along with material characteristics, such as emissivity uniformity, in steady-state thermography. Severity of crack, such as those likely and unlikely to cause burn through were tested, both in-air and in-vacuum, and the goal of this procedure was to assure crew and vehicle safety during re-entry by identification and quantification of a damage condition while on-orbit. Expected thermal conditions are presented in typical shuttle orbits, and the expected damage signatures for each scenario are presented. Finally, through statistical signal detection, our results show that even at very low in-plane thermal gradients, we are able to detect damage at or below the threshold for fatality in the most critical sections of the WLE, with a confidence exceeding 1 in 10,000 probability of false negative.

  4. Asteroid orbital inversion using uniform phase-space sampling

    NASA Astrophysics Data System (ADS)

    Muinonen, K.; Pentikäinen, H.; Granvik, M.; Oszkiewicz, D.; Virtanen, J.

    2014-07-01

    We review statistical inverse methods for asteroid orbit computation from a small number of astrometric observations and short time intervals of observations. With the help of Markov-chain Monte Carlo methods (MCMC), we present a novel inverse method that utilizes uniform sampling of the phase space for the orbital elements. The statistical orbital ranging method (Virtanen et al. 2001, Muinonen et al. 2001) was set out to resolve the long-lasting challenges in the initial computation of orbits for asteroids. The ranging method starts from the selection of a pair of astrometric observations. Thereafter, the topocentric ranges and angular deviations in R.A. and Decl. are randomly sampled. The two Cartesian positions allow for the computation of orbital elements and, subsequently, the computation of ephemerides for the observation dates. Candidate orbital elements are included in the sample of accepted elements if the χ^2-value between the observed and computed observations is within a pre-defined threshold. The sample orbital elements obtain weights based on a certain debiasing procedure. When the weights are available, the full sample of orbital elements allows the probabilistic assessments for, e.g., object classification and ephemeris computation as well as the computation of collision probabilities. The MCMC ranging method (Oszkiewicz et al. 2009; see also Granvik et al. 2009) replaces the original sampling algorithm described above with a proposal probability density function (p.d.f.), and a chain of sample orbital elements results in the phase space. MCMC ranging is based on a bivariate Gaussian p.d.f. for the topocentric ranges, and allows for the sampling to focus on the phase-space domain with most of the probability mass. In the virtual-observation MCMC method (Muinonen et al. 2012), the proposal p.d.f. for the orbital elements is chosen to mimic the a posteriori p.d.f. for the elements: first, random errors are simulated for each observation, resulting in

  5. Resonant tunneling of fluctuation Cooper pairs

    PubMed Central

    Galda, Alexey; Mel'nikov, A. S.; Vinokur, V. M.

    2015-01-01

    Superconducting fluctuations have proved to be an irreplaceable source of information about microscopic and macroscopic material parameters that could be inferred from the experiment. According to common wisdom, the effect of thermodynamic fluctuations in the vicinity of the superconducting transition temperature, Tc, is to round off all of the sharp corners and discontinuities, which otherwise would have been expected to occur at Tc. Here we report the current spikes due to radiation-induced resonant tunneling of fluctuation Cooper pairs between two superconductors which grow even sharper and more pronounced upon approach to Tc. This striking effect offers an unprecedented tool for direct measurements of fluctuation Cooper pair lifetime, which is key to our understanding of the fluctuation regime, most notably to nature of the pseudogap state in high-temperature superconductors. Our finding marks a radical departure from the conventional view of superconducting fluctuations as a blurring and rounding phenomenon. PMID:25661237

  6. Resonant tunneling of fluctuation Cooper pairs.

    PubMed

    Galda, Alexey; Mel'nikov, A S; Vinokur, V M

    2015-02-09

    Superconducting fluctuations have proved to be an irreplaceable source of information about microscopic and macroscopic material parameters that could be inferred from the experiment. According to common wisdom, the effect of thermodynamic fluctuations in the vicinity of the superconducting transition temperature, Tc, is to round off all of the sharp corners and discontinuities, which otherwise would have been expected to occur at Tc. Here we report the current spikes due to radiation-induced resonant tunneling of fluctuation Cooper pairs between two superconductors which grow even sharper and more pronounced upon approach to Tc. This striking effect offers an unprecedented tool for direct measurements of fluctuation Cooper pair lifetime, which is key to our understanding of the fluctuation regime, most notably to nature of the pseudogap state in high-temperature superconductors. Our finding marks a radical departure from the conventional view of superconducting fluctuations as a blurring and rounding phenomenon.

  7. Orbit Software Suite

    NASA Technical Reports Server (NTRS)

    Osgood, Cathy; Williams, Kevin; Gentry, Philip; Brownfield, Dana; Hallstrom, John; Stuit, Tim

    2012-01-01

    Orbit Software Suite is used to support a variety of NASA/DM (Dependable Multiprocessor) mission planning and analysis activities on the IPS (Intrusion Prevention System) platform. The suite of Orbit software tools (Orbit Design and Orbit Dynamics) resides on IPS/Linux workstations, and is used to perform mission design and analysis tasks corresponding to trajectory/ launch window, rendezvous, and proximity operations flight segments. A list of tools in Orbit Software Suite represents tool versions established during/after the Equipment Rehost-3 Project.

  8. THE EVOLUTION OF PRIMORDIAL BINARY OPEN STAR CLUSTERS: MERGERS, SHREDDED SECONDARIES, AND SEPARATED TWINS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    De la Fuente Marcos, R.; De la Fuente Marcos, C., E-mail: raul@galaxy.suffolk.e

    2010-08-10

    The properties of the candidate binary star cluster population in the Magellanic Clouds and Milky Way are similar. The fraction of candidate binaries is {approx}10% and the pair separation histogram exhibits a bimodal distribution commonly attributed to their transient nature. However, if primordial pairs cannot survive for long as recognizable bound systems, how are they ending up? Here, we use simulations to confirm that merging, extreme tidal distortion, and ionization are possible depending on the initial orbital elements and mass ratio of the cluster pair. Merging is observed for initially close pairs but also for wider systems in nearly parabolicmore » orbits. Its characteristic timescale depends on the initial orbital semi-major axis, eccentricity, and cluster pair mass ratio, becoming shorter for closer, more eccentric equal mass pairs. Shredding of the less massive cluster and subsequent separation is observed in all pairs with appreciably different masses. Wide pairs evolve into separated twins characterized by the presence of tidal bridges and separations of 200-500 pc after one Galactic orbit. Most observed binary candidates appear to be following this evolutionary path which translates into the dominant peak (25-30 pc) in the observed pair separation distribution. The secondary peak at smaller separations (10-15 pc) can be explained as due to close pairs in almost circular orbits and/or undergoing merging. Merged clusters exhibit both peculiar radial density and velocity dispersion profiles shaped by synchronization and gravogyro instabilities. Simulations and observations show that long-term binary open cluster stability is unlikely.« less

  9. Saturn's Magnetic Field from the Cassini Grand Finale orbits

    NASA Astrophysics Data System (ADS)

    Dougherty, M. K.; Cao, H.; Khurana, K. K.; Hunt, G. J.; Provan, G.; Kellock, S.; Burton, M. E.; Burk, T. A.

    2017-12-01

    The fundamental aims of the Cassini magnetometer investigation during the Cassini Grand Finale orbits were determination of Saturn's internal planetary magnetic field and the rotation rate of the deep interior. The unique geometry of the orbits provided an unprecedented opportunity to measure the intrinsic magnetic field at close distances never before encountered. The surprising close alignment of Saturn's magnetic axis with its spin axis, known about since the days of Pioneer 11, has been a focus of the team's analysis since Cassini Saturn Orbit Insertion. However, the varying northern and southern magnetospheric planetary period oscillations, which fill the magnetosphere, has been a factor in masking the field signals from the interior. Here we describe an overview of the magnetometer results from the Grand Finale orbits, including confirmation of the extreme axisymmetric nature of the planetary magnetic field, implications for knowledge of the rotation rate and the behaviour of external magnetic fields (arising from the ring current, field aligned currents both at high and low latitudes and the modulating effect of the planetary period oscillations).

  10. Jupiter: Giant of the solar system. [its solar orbits

    NASA Technical Reports Server (NTRS)

    1975-01-01

    Jupiter, its relationship to the other planets in the solar system, its twelve natural satellites, solar orbit and the appearance of Jupiter in the sky, and the sightings and motions of Jupiter in 1973 are discussed. Educational study projects for students are also included.

  11. Multi-hop teleportation based on W state and EPR pairs

    NASA Astrophysics Data System (ADS)

    Hai-Tao, Zhan; Xu-Tao, Yu; Pei-Ying, Xiong; Zai-Chen, Zhang

    2016-05-01

    Multi-hop teleportation has significant value due to long-distance delivery of quantum information. Many studies about multi-hop teleportation are based on Bell pairs, partially entangled pairs or W state. The possibility of multi-hop teleportation constituted by partially entangled pairs relates to the number of nodes. The possibility of multi-hop teleportation constituted by double W states is after n-hop teleportation. In this paper, a multi-hop teleportation scheme based on W state and EPR pairs is presented and proved. The successful possibility of quantum information transmitted hop by hop through intermediate nodes is deduced. The possibility of successful transmission is after n-hop teleportation. Project supported by the National Natural Science Foundation of China (Grant No. 61571105), the Prospective Future Network Project of Jiangsu Province, China (Grant No. BY2013095-1-18), and the Independent Project of State Key Laboratory of Millimeter Waves, China (Grant No. Z201504).

  12. Superconductivity and spin-orbit coupling in non-centrosymmetric materials: a review

    NASA Astrophysics Data System (ADS)

    Smidman, M.; Salamon, M. B.; Yuan, H. Q.; Agterberg, D. F.

    2017-03-01

    In non-centrosymmetric superconductors, where the crystal structure lacks a centre of inversion, parity is no longer a good quantum number and an electronic antisymmetric spin-orbit coupling (ASOC) is allowed to exist by symmetry. If this ASOC is sufficiently large, it has profound consequences on the superconducting state. For example, it generally leads to a superconducting pairing state which is a mixture of spin-singlet and spin-triplet components. The possibility of such novel pairing states, as well as the potential for observing a variety of unusual behaviors, led to intensive theoretical and experimental investigations. Here we review the experimental and theoretical results for superconducting systems lacking inversion symmetry. Firstly we give a conceptual overview of the key theoretical results. We then review the experimental properties of both strongly and weakly correlated bulk materials, as well as two dimensional systems. Here the focus is on evaluating the effects of ASOC on the superconducting properties and the extent to which there is evidence for singlet-triplet mixing. This is followed by a more detailed overview of theoretical aspects of non-centrosymmetric superconductivity. This includes the effects of the ASOC on the pairing symmetry and the superconducting magnetic response, magneto-electric effects, superconducting finite momentum pairing states, and the potential for non-centrosymmetric superconductors to display topological superconductivity.

  13. The Orbital Parameters and Nature of the X-ray Pulsar IGR J16393-4643 Using Pulse Timing Analysis

    NASA Astrophysics Data System (ADS)

    Pearlman, Aaron B.; Corbet, R. H. D.; Pottschmidt, K.; Skinner, G. K.

    2011-09-01

    A 3.7 day orbital period was previously suggested for the 910 s X-ray pulsar IGR J16393-4643 from a pulse timing study of widely separated X-ray observations (Thompson et al., 2006), placing the system in the supergiant wind-fed region of the Ppulse-Porb diagram. However, orbital periods of 50.2 and 8.1 days could not be excluded. Nespoli et al. (2010) refute this wind-accreting high-mass X-ray binary classification and suggest a symbiotic X-ray binary (SyXB) designation based on infrared spectroscopy of the proposed counterpart and the potential 50.2 day orbital solution. SyXBs are low-mass X-ray binaries in which a neutron star accretes from the inhomogeneous medium around an M-type giant companion. We find that two statistically independent light curves of IGR J16393-4643, from the Swift Burst Alert Telescope (15-50 keV) and the Rossi X-ray Timing Explorer (RXTE) Proportional Counter Array (PCA) Galactic bulge scans (2-10 keV), show highly significant orbital modulation near 4.24 days. Making use of this precise orbital period, we present the results from pulse arrival time analysis on IGR J16393-4643 using RXTE PCA observations. We provide significantly improved phase-connected pulse timing results using archival observations presented in Thompson et al. (2006) and additional pulse timing data not included in their study to determine the orbital parameters of the system. The derived 7.5 M⊙ mass function is inconsistent with a SyXB identification.

  14. Osteologic analysis of ethnic differences in supernumerary ethmoidal foramina: implications for endoscopic sinus and orbit surgery.

    PubMed

    Mueller, Sarina K; Bleier, Benjamin S

    2018-05-01

    Knowledge of the position of the ethmoidal arteries is critical to enable safe endoscopic sinus and orbital surgery. The presence of a third or "middle" ethmoid variant has recently become more relevant as endoscopic intraconal surgery continues to advance. The purpose of this study was to quantify the presence of supernumerary (ie, over 2) ethmoid foramina in different ethnicities and genders. Morphometric osteologic measurements were performed in 273 orbits. Prevalence of supernumerary ethmoid foramina and orbital length data were obtained from human skulls of Asian (n = 54), Caucasian (n = 70), African (n = 39), Hispanic (n = 49), and Middle Eastern (n = 61) derivation. Correlations between gender, ethnicity, symmetry, orbital floor, and lamina papyracea length were assessed by analysis of variance, paired t test, and χ 2 test. Supernumerary foramina were identified in 95 of 273 orbits (34.79%). A significantly higher prevalence was seen in Asian (42.59%), African (41.02%), and Hispanic (41.00%) skulls as compared with Caucasian (25.71%) and Middle Eastern (22.95%) skulls (p < 0.05 for all). The length of the orbital floor was significantly shorter in the Asian (3.35 ± 1.52 cm) specimens (p < 0.01). Asians were found to have the highest risk of ethmoid artery injury compared with the other ethnic groups (ratio of number of supernumerary foramina to orbital floor length = 0.72). Supernumerary ethmoidal foramina were common among all orbits studied. Orbits of Asian and African derivation had significantly greater numbers of ethmoidal foramina, both unilaterally and symmetrically and within a shorter orbital length, suggesting a greater proximity between the ethmoidal vessels. Surgeons should be alert to the possible presence of middle ethmoidal vessels during endoscopic sinus and orbital approaches. © 2017 ARS-AAOA, LLC.

  15. Impact of GNSS orbit modeling on LEO orbit and gravity field determination

    NASA Astrophysics Data System (ADS)

    Arnold, Daniel; Meyer, Ulrich; Sušnik, Andreja; Dach, Rolf; Jäggi, Adrian

    2017-04-01

    On January 4, 2015 the Center for Orbit Determination in Europe (CODE) changed the solar radiation pressure modeling for GNSS satellites to an updated version of the empirical CODE orbit model (ECOM). Furthermore, since September 2012 CODE operationally computes satellite clock corrections not only for the 3-day long-arc solutions, but also for the non-overlapping 1-day GNSS orbits. This provides different sets of GNSS products for Precise Point Positioning, as employed, e.g., in the GNSS-based precise orbit determination of low Earth orbiters (LEOs) and the subsequent Earth gravity field recovery from kinematic LEO orbits. While the impact of the mentioned changes in orbit modeling and solution strategy on the GNSS orbits and geophysical parameters was studied in detail, their implications on the LEO orbits were not yet analyzed. We discuss the impact of the update of the ECOM and the influence of 1-day and 3-day GNSS orbit solutions on zero-difference LEO orbit and gravity field determination, where the GNSS orbits and clock corrections, as well as the Earth rotation parameters are introduced as fixed external products. Several years of kinematic and reduced-dynamic orbits for the two GRACE LEOs are computed with GNSS products based on both the old and the updated ECOM, as well as with 1- and 3-day GNSS products. The GRACE orbits are compared by means of standard validation measures. Furthermore, monthly and long-term GPS-only and combined GPS/K-band gravity field solutions are derived from the different sets of kinematic LEO orbits. GPS-only fields are validated by comparison to combined GPS/K-band solutions, while the combined solutions are validated by analysis of the formal errors, as well as by comparing them to the combined GRACE solutions of the European Gravity Service for Improved Emergency Management (EGSIEM) project.

  16. Fermion superfluid with hybridized s- and p-wave pairings

    NASA Astrophysics Data System (ADS)

    Zhou, LiHong; Yi, Wei; Cui, XiaoLing

    2017-12-01

    Ever since the pioneering work of Bardeen, Cooper and Schrieffer in the 1950s, exploring novel pairing mechanisms for fermion superfluids has become one of the central tasks in modern physics. Here, we investigate a new type of fermion superfluid with hybridized s- and p-wave pairings in an ultracold spin-1/2 Fermi gas. Its occurrence is facilitated by the co-existence of comparable s- and p-wave interactions, which is realizable in a two-component 40K Fermi gas with close-by s- and p-wave Feshbach resonances. The hybridized superfluid state is stable over a considerable parameter region on the phase diagram, and can lead to intriguing patterns of spin densities and pairing fields in momentum space. In particular, it can induce a phase-locked p-wave pairing in the fermion species that has no p-wave interactions. The hybridized nature of this novel superfluid can also be confirmed by measuring the s- and p-wave contacts, which can be extracted from the high-momentum tail of the momentum distribution of each spin component. These results enrich our knowledge of pairing superfluidity in Fermi systems, and open the avenue for achieving novel fermion superfluids with multiple partial-wave scatterings in cold atomic gases.

  17. Diagrams for comprehensive molecular orbital-based chemical reaction analyses: reactive orbital energy diagrams.

    PubMed

    Tsuneda, Takao; Singh, Raman Kumar; Chattaraj, Pratim Kumar

    2018-05-15

    Reactive orbital energy diagrams are presented as a tool for comprehensively performing orbital-based reaction analyses. The diagrams rest on the reactive orbital energy theory, which is the expansion of conceptual density functional theory (DFT) to an orbital energy-based theory. The orbital energies on the intrinsic reaction coordinates of fundamental reactions are calculated by long-range corrected DFT, which is confirmed to provide accurate orbital energies of small molecules, combining with a van der Waals (vdW) correlation functional, in order to examine the vdW effect on the orbital energies. By analysing the reactions based on the reactive orbital energy theory using these accurate orbital energies, it is found that vdW interactions significantly affect the orbital energies in the initial reaction processes and that more than 70% of reactions are determined to be initially driven by charge transfer, while the remaining structural deformation (dynamics)-driven reactions are classified into identity, cyclization and ring-opening, unimolecular dissociation, and H2 reactions. The reactive orbital energy diagrams, which are constructed using these results, reveal that reactions progress so as to delocalize the occupied reactive orbitals, which are determined as contributing orbitals and are usually not HOMOs, by hybridizing the unoccupied reactive orbitals, which are usually not LUMOs. These diagrams also raise questions about conventional orbital-based diagrams such as frontier molecular orbital diagrams, even for the well-established interpretation of Diels-Alder reactions.

  18. Natural occupation numbers: when do they vanish?

    PubMed

    Giesbertz, K J H; van Leeuwen, R

    2013-09-14

    The non-vanishing of the natural orbital (NO) occupation numbers of the one-particle density matrix of many-body systems has important consequences for the existence of a density matrix-potential mapping for nonlocal potentials in reduced density matrix functional theory and for the validity of the extended Koopmans' theorem. On the basis of Weyl's theorem we give a connection between the differentiability properties of the ground state wavefunction and the rate at which the natural occupations approach zero when ordered as a descending series. We show, in particular, that the presence of a Coulomb cusp in the wavefunction leads, in general, to a power law decay of the natural occupations, whereas infinitely differentiable wavefunctions typically have natural occupations that decay exponentially. We analyze for a number of explicit examples of two-particle systems that in case the wavefunction is non-analytic at its spatial diagonal (for instance, due to the presence of a Coulomb cusp) the natural orbital occupations are non-vanishing. We further derive a more general criterium for the non-vanishing of NO occupations for two-particle wavefunctions with a certain separability structure. On the basis of this criterium we show that for a two-particle system of harmonically confined electrons with a Coulombic interaction (the so-called Hookium) the natural orbital occupations never vanish.

  19. Evaluation of an integrated orbital tissue expander in congenital anophthalmos: report of preliminary clinical experience.

    PubMed

    Tse, David T; Abdulhafez, Mohammad; Orozco, Marcia A; Tse, Jeffrey D; Azab, Amr Osama; Pinchuk, Leonard

    2011-03-01

    To evaluate the effectiveness of an orbital tissue expander designed to stimulate orbital bone growth in an anophthalmic socket. Retrospective, noncomparative, interventional case series. Institutional. Nine consecutive patients with unilateral congenital anophthalmos. The orbital tissue expander is made of an inflatable silicone globe sliding on a titanium T-plate secured to the lateral orbital rim with screws. The globe is inflated by a transconjunctival injection of normal saline through a 30-gauge needle to a final volume of approximately 5 cm(3). Computed tomography scans were used to determine the orbital volume. The data studied were: demographics, prior orbital expansion procedures, secondary interventions, orbital symmetry, and implant-related complications. The primary outcome measure was the orbital volume change, and the secondary outcome measures were changes in forehead, brow, and zygomatic eminence contour and adverse events. The average patient age at implantation was 41.89 ± 39.42 months (range, 9 to 108 months). The initial average volume of inflation was 3.00 ± 0.87 cm(3) (range, 2.0 to 4.0 cm(3)), and the average final volume of 4.33 ± 0.50 cm(3) (range, 4.0 to 5.0 cm(3)) was achieved. The duration of expansion was 18.89 ± 8.80 months (range, 4 to 26 months). All patients demonstrated an average increase in the orbital tissue expander implanted orbital volume of 5.112 ± 2.173 cm(3) (range, 2.81 to 10.38 cm(3)). The average difference between the volume of the implanted and the initial contralateral orbit was 5.68 ± 2.34 cm(3), which decreased to 2.53 ± 1.80 cm(3) at the final measurement (P < .001, paired t test). All implants remained inflated except for 2 iatrogenic punctures at the second inflation and 1 that was the result of implant failure. All were replaced. The integrated orbital tissue expander is safe and effective in stimulating anophthalmic socket bone growth. Copyright © 2011 Elsevier Inc. All rights reserved.

  20. Disposal strategy for the geosynchronous orbits of the Beidou Navigation Satellite System

    NASA Astrophysics Data System (ADS)

    Tang, Jingshi; Liu, Lin

    Beidou Navigation Satellite System (BDS) is China's navigation satelite system. It is now operational for navigation service in China and Asia-Pacific region and is due to be fully operational as a global navigation system by 2020. Unlike other navigation satellite systems, BDS consists of both 12-hour medium Earth orbit and 24-hour geosynchronous orbit. To sustain a safe environment for the navigation satellites, the end-of-life satellites must be disposed appropriately so they do not pose potential dangers to the operational satellites. There are currently two strategies for the disposal orbit. One is to put the disposed satellite in a graveyard orbit that has a safe distance from the operational satellites. It is often applied in geosynchronous orbits and such graveyard orbit can always maintain a safe distance even for a few centuries. This strategy is also currently adopted by GPS, yet recent researches show a re-entry orbit can sometimes be a better alternative. The interaction of Earth oblateness and lunisolar gravitation can lead to a rapid increase in the orbit eccentricity such that by proper design the disposed GPS satellite can be cleared out by re-entry into the atmosphere. In this work we focus on the disposal strategy for BDS geosynchronous orbit, which consists of the equatorial stationary orbit (GEO) and the inclined orbit (IGSO). We show that these two orbits are essentially in two different dynamical environments and evolve quite distinctly over a long period of time. Taking advantage of the dynamic nature, we apply the graveyard orbit and the re-entry orbit to GEO and IGSO respectively and propose appropriate disposal strategies accordingly.

  1. V342 Andromedae B is an eccentric-orbit eclipsing binary

    NASA Astrophysics Data System (ADS)

    Dimitrov, W.; Kamiński, K.; Lehmann, H.; Ligęza, P.; Fagas, M.; Bagińska, P.; Kwiatkowski, T.; Bąkowska, K.; Kowalczyk, A.; Polińska, M.; Bartczak, P.; Przybyszewska, A.; Kruszewski, A.; Kurzawa, K.; Schwarzenberg-Czerny, A.

    2015-03-01

    We present a photometric and spectroscopic study of the visual binary V342 Andromedae. Visual components of the system have angular separations of 3 arcseconds. We obtained two spectroscopic data sets. An examination of both the A and B component spectra reveals that the B component is a spectroscopic binary with an eccentric orbit. The orbital period, taken from the Hipparcos Catalog, agrees with the orbital period of the B component measured spectroscopically. We also collected a new set of photometric measurements. The argument of periastron is close to 270° and the orbit eccentricity is not seen in our photometric data. About five years after the first spectroscopic observations, a new set of spectroscopic data was obtained. We analysed the apsidal motion, but we did not find any significant changes in the orbital orientation. A Wilson-Devinney model was calculated based on the photometric and the radial velocity curves. The result shows two very similar stars with masses M1 = 1.27 ± 0.01 M⊙, M2 = 1.28 ± 0.01 M⊙, respectively. The radii are R1 = 1.21 ± 0.01 R⊙, R2 = 1.25 ± 0.01 R⊙, respectively. Radial velocity measurements of component A, the most luminous star in the system, reveal no significant periodic variations. We calculated the time of the eclipsing binary orbit's circularization, which is about two orders of magnitude shorter than the estimated age of the system. The discrepancies in the age estimation can be explained by the Kozai effect induced by the visual component A. The atmospheric parameters and the chemical abundances for the eclipsing pair, as well as the LSD profiles for both visual components, were calculated from two high-resolution, well-exposed spectra obtained on the 2-m class telescope. Based on spectroscopy obtained at the David Dunlap Observatory, University of Toronto, Canada, Poznań Spectroscopic Telescope 1, Poland and Thüringer Landessternwarte, Tautenburg, Germany.

  2. Orbital debris and meteoroid population as estimated from LDEF impact data

    NASA Technical Reports Server (NTRS)

    Zhang, Jingchang; Kessler, Donald J.

    1995-01-01

    Examination of LDEF's various surfaces shows numerous craters and holes due to hypervelocity impacts of meteoroids and man-made orbital debris. In this paper, the crater numbers as reported by Humes have been analyzed in an effort to understand the orbital debris and natural meteoroid environment in LEO. To determine the fraction of man-made to natural impacts, the side to top ratio of impacts and results of the Chemistry of Micrometeoroids Experiment are used. For craters in the 100 micron to 500 micron size range, about 25 percent to 30 percent of the impacts on the forward-facing surfaces and about 10 percent of the impacts on the trailing surfaces were estimated due to man-made orbital debris. A technique has been developed to convert crater numbers to particle fluxes, taking the fact into account that the distributions of impact velocity and incidence angle vary over the different surfaces of LDEF, as well as the ratio of the surface area flux to the cross-sectional area flux. Applying this technique, Humes' data concerning craters with limiting lip diameters of 100 micron, 200 micron and 500 micron have been converted into orbital debris and meteoroid fluxes ranging from about 20 micron to 200 micron particle diameter. The results exhibit good agreement with orbital debris model and meteoroid model. The converted meteoroid flux is slightly larger than Grun's model (by 40 to 70 percent). The converted orbital debris flux is slightly lower than Kessler's model for particle diameter smaller than about 30 micron and slightly larger than the model for particle diameter larger than about 40 micron. Taking also into account the IDE data point at about 0.8 micron particle diameter, it suggests to change the slope log (flux) versus log (diameter) of orbital debris flux in the 1 micron to 100 micron particle diameter range from 2.5 to 1.9.

  3. Spin-orbit-coupled fermions in an optical lattice clock

    NASA Astrophysics Data System (ADS)

    Kolkowitz, S.; Bromley, S. L.; Bothwell, T.; Wall, M. L.; Marti, G. E.; Koller, A. P.; Zhang, X.; Rey, A. M.; Ye, J.

    2017-02-01

    Engineered spin-orbit coupling (SOC) in cold-atom systems can enable the study of new synthetic materials and complex condensed matter phenomena. However, spontaneous emission in alkali-atom spin-orbit-coupled systems is hindered by heating, limiting the observation of many-body effects and motivating research into potential alternatives. Here we demonstrate that spin-orbit-coupled fermions can be engineered to occur naturally in a one-dimensional optical lattice clock. In contrast to previous SOC experiments, here the SOC is both generated and probed using a direct ultra-narrow optical clock transition between two electronic orbital states in 87Sr atoms. We use clock spectroscopy to prepare lattice band populations, internal electronic states and quasi-momenta, and to produce spin-orbit-coupled dynamics. The exceptionally long lifetime of the excited clock state (160 seconds) eliminates decoherence and atom loss from spontaneous emission at all relevant experimental timescales, allowing subsequent momentum- and spin-resolved in situ probing of the SOC band structure and eigenstates. We use these capabilities to study Bloch oscillations, spin-momentum locking and Van Hove singularities in the transition density of states. Our results lay the groundwork for using fermionic optical lattice clocks to probe new phases of matter.

  4. Study of an orbiting tethered dumbbell system having positive orbital energy

    NASA Technical Reports Server (NTRS)

    Arnold, David A.

    1988-01-01

    For very long tethered systems the sum of the kinetic and potential energy can be positive. The system remains in a circular orbit as long as the masses remain vertically aligned. The system is unstable without constant control of the alignment. If the upper mass rotates forward in the direction of the orbital motion, the system escapes out of orbit. If the upper mass rotates backward, the system falls out of orbit and the lower mass impacts the body around which the system is orbiting.

  5. Human Exploration Missions Study Launch Window from Earth Orbit

    NASA Technical Reports Server (NTRS)

    Young, Archie

    2001-01-01

    The determination of orbital launch window characteristics is of major importance in the analysis of human interplanetary missions and systems. The orbital launch window characteristics are directly involved in the selection of mission trajectories, the development of orbit operational concepts, and the design of orbital launch systems. The orbital launch window problem arises because of the dynamic nature of the relative geometry between outgoing (departure) asymptote of the hyperbolic escape trajectory and the earth parking orbit. The orientation of the escape hyperbola asymptotic relative to earth is a function of time. The required hyperbola energy level also varies with time. In addition, the inertial orientation of the parking orbit is a function of time because of the perturbations caused by the Earth's oblateness. Thus, a coplanar injection onto the escape hyperbola can be made only at a point in time when the outgoing escape asymptote is contained by the plane of parking orbit. Even though this condition may be planned as a nominal situation, it will not generally represent the more probable injection geometry. The general case of an escape injection maneuver performed at a time other than the coplanar time will involve both a path angle and plane change and, therefore, a Delta(V) penalty. Usually, because of the Delta(V) penalty the actual departure injection window is smaller in duration than that determined by energy requirement alone. This report contains the formulation, characteristics, and test cases for five different launch window modes for Earth orbit. These modes are: (1) One impulsive maneuver from a Low Earth Orbit (LEO), (2) Two impulsive maneuvers from LEO, (3) Three impulsive maneuvers from LEO, (4) One impulsive maneuvers from a Highly Elliptical Orbit (HEO), (5) Two impulsive maneuvers from a Highly Elliptical Orbit (HEO) The formulation of these five different launch window modes provides a rapid means of generating realistic parametric

  6. Orbital-selective Mott phase in multiorbital models for iron pnictides and chalcogenides

    NASA Astrophysics Data System (ADS)

    Yu, Rong; Si, Qimiao

    2017-09-01

    There is increasing recognition that the multiorbital nature of the 3 d electrons is important to the proper description of the electronic states in the normal state of the iron-based superconductors. Earlier studies of the pertinent multiorbital Hubbard models identified an orbital-selective Mott phase, which anchors the orbital-selective behavior seen in the overall phase diagram. An important characteristics of the models is that the orbitals are kinetically coupled, i.e., hybridized, to each other, which makes the orbital-selective Mott phase especially nontrivial. A U (1 ) slave-spin method was used to analyze the model with nonzero orbital-level splittings. Here we develop a Landau free-energy functional to shed further light on this issue. We put the microscopic analysis from the U (1 ) slave-spin approach in this perspective, and show that the intersite spin correlations are crucial to the renormalization of the bare hybridization amplitude towards zero and the concomitant realization of the orbital-selective Mott transition. Based on this insight, we discuss additional ways to study the orbital-selective Mott physics from a dynamical competition between the interorbital hybridization and collective spin correlations. Our results demonstrate the robustness of the orbital-selective Mott phase in the multiorbital models appropriate for the iron-based superconductors.

  7. Prospecting from Orbit

    NASA Image and Video Library

    2017-09-04

    The combination of morphological and topographic information from stereo images from NASA's Mars Reconnaissance Orbiter, as well as compositional data from near-infrared spectroscopy has been proven to be a powerful tool for understanding the geology of Mars. Beginning with the OMEGA instrument on the European Space Agency's Mars Express orbiter in 2003, the surface of Mars has been examined at near-infrared wavelengths by imaging spectrometers that are capable of detecting specific minerals and mapping their spatial extent. The CRISM (Compact Reconnaissance Imaging Spectrometer for Mars) instrument on our orbiter is a visible/near-infrared imaging spectrometer, and the HiRISE camera works together with it to document the appearance of mineral deposits detected by this orbital prospecting. Mawrth Vallis is one of the regions on Mars that has attracted much attention because of the nature and diversity of the minerals identified by these spectrometers. It is a large, ancient outflow channel on the margin of the Southern highlands and Northern lowlands. Both the OMEGA and CRISM instruments have detected clay minerals here that must have been deposited in a water-rich environment, probably more than 4 billion years ago. For this reason, Mawrth Vallis is one of the two candidate landing sites for the future Mars Express Rover Mission planned by the European Space Agency. This image was targeted on a location where the CRISM instrument detected a specific mineral called alunite, KAl3(SO4)2(OH)6. Alunite is a hydrated aluminum potassium sulfate, a mineral that is notable because it must have been deposited in a wet acidic environment, rich in sulfuric acid. Our image shows that the deposit is bright and colorful, and extensively fractured. The width of the cutout is 1.2 kilometers. The map is projected here at a scale of 50 centimeters (19.7 inches) per pixel. [The original image scale is 60.1 centimeters (23.7 inches) per pixel (with 2 x 2 binning); objects on the order

  8. Effects of Afforestation and Natural Revegetation on Soil Moisture Dynamics in Paired Watersheds in the Loess Plateau of China

    NASA Astrophysics Data System (ADS)

    Jin, Z.; Guo, L.; Lin, H.; Wang, Y.; Chu, G.

    2017-12-01

    In this study, a paired of small watersheds, which are artificial forestland and natural grassland, respectively, were selected. The two watersheds have been set up since 1954 and the time of revegetation is more than 60 years. Their differences in event and seasonal dynamics of soil moisture were investigated and the effects of vegetation and landform were analyzed. Results showed that consecutive small events higher than 22 mm and single events higher than 16.6 mm could recharge the soil moisture of the two watersheds, but no rainfall event was observed to recharge the soil moisture of 100 cm within 2 weeks after rainfall initiation. Moreover, the two contrasting watersheds showed no difference in rainfall threshold for effective soil moisture replenishment and also had similar patterns of soil water increment with the increase of initial soil water content and rainfall intensity. The changing vegetation cover and coverage at different landforms (uphill slope land and downhill gully) showed the most significant impact on event and seasonal dynamics of soil moisture. The strong interception, evaporation and transpiration of tree canopy and understory vegetation in the gully of the forestland showed the most negative impacts on soil moisture replenishment. Moreover, dense surface grass biomass (living and dead) in the grassland also showed negative impacts on effective soil moisture recharge. Landform itself showed no significant impact on event soil moisture dynamics through changing the initial soil water content and soil texture, while site differences in slope gradient and soil temperature could affect the seasonal soil water content. During the growing season of May-October, the forestland showed 1.3% higher soil water content than that of the grassland in the landform of uphill slope land; while in the landform of downhill gully, the grassland showed 4.3% higher soil water content than that of the forestland. Many studies have predicted that there will be

  9. Sentinel-2A: Orbit Modelling Improvements and their Impact on the Orbit Prediction

    NASA Astrophysics Data System (ADS)

    Peter, Heike; Otten, Michiel; Fernández Sánchez, Jaime; Fernández Martín, Carlos; Féménias, Pierre

    2016-07-01

    Sentinel-2A is the second satellite of the European Copernicus Programme. The satellite has been launched on 23rd June 2015 and it is operational since mid October 2015. This optical mission carries a GPS receiver for precise orbit determination. The Copernicus POD (Precise Orbit Determination) Service is in charge of generating precise orbital products and auxiliary files for Sentinel-2A as well as for the Sentinel-1 and -3 missions. The accuracy requirements for the Sentinel-2A orbit products are not very stringent with 3 m in 3D (3 sigma) for the near real-time (NRT) orbit and 10 m in 2D (3 sigma) for the predicted orbit. The fulfilment of the orbit accuracy requirements is normally not an issue. The Copernicus POD Service aims, however, to provide the best possible orbits for all three Sentinel missions. Therefore, a sophisticated box-wing model is generated for the Sentinel-2 satellite as it is done for the other two missions as well. Additionally, the solar wing of the satellite is rewound during eclipse, which has to be modelled accordingly. The quality of the orbit prediction is dependent on the results of the orbit estimation performed before it. The values of the last estimation of each parameter is taken for the orbit propagation, i.e. estimating ten atmospheric drag coefficients per 24h, the value of the last coefficient is used as a fix parameter for the subsequent orbit prediction. The question is whether the prediction might be stabilised by, e.g. using an average value of all ten coefficients. This paper presents the status and the quality of the Sentinel-2 orbit determination in the operational environment of the Copernicus POD Service. The impact of the orbit model improvements on the NRT and predicted orbits is studied in detail. Changes in the orbit parametrization as well as in the settings for the orbit propagation are investigated. In addition, the impact of the quality of the input GPS orbit and clock product on the Sentinel-2A orbit

  10. Pair Interactions and Mode of Communication: Comparing Face-to-Face and Computer Mediated Communication

    ERIC Educational Resources Information Center

    Tan, Lan Liana; Wigglesworth, Gillian; Storch, Neomy

    2010-01-01

    In today's second language classrooms, students are often asked to work in pairs or small groups. Such collaboration can take place face-to-face, but now more often via computer mediated communication. This paper reports on a study which investigated the effect of the medium of communication on the nature of pair interaction. The study involved…

  11. Spacecraft transfer trajectory design exploiting resonant orbits in multi-body environments

    NASA Astrophysics Data System (ADS)

    Vaquero Escribano, Tatiana Mar

    Historically, resonant orbits have been employed in mission design for multiple planetary flyby trajectories and, more recently, as a source of long-term orbital stability. For instance, in support of a mission concept in NASA's Outer Planets Program, the Jupiter Europa Orbiter spacecraft is designed to encounter two different resonances with Europa during the 'endgame' phase, leading to Europa orbit insertion on the final pass. In 2011, the Interstellar Boundary Explorer spacecraft was inserted into a stable out-of-plane lunar-resonant orbit, the first of this type for a spacecraft in a long-term Earth orbit. However, resonant orbits have not yet been significantly explored as transfer mechanisms between non-resonant orbits in multi-body systems. This research effort focuses on incorporating resonant orbits into the design process to potentially enable the construction of more efficient or even novel transfer scenarios. Thus, the goals in this investigation are twofold: i) to expand the orbit architecture in multi-body environments by cataloging families of resonant orbits, and ii) to assess the role of such families in the design of transfer trajectories with specific patterns and itineraries. The benefits and advantages of employing resonant orbits in the design process are demonstrated through a variety of astrodynamics applications in several multi-body systems. In the Earth-Moon system, locally optimal transfer trajectories from low Earth orbit to selected libration point orbits are designed by leveraging conic arcs and invariant manifolds associated with resonant orbits. Resonant manifolds in the Earth-Moon system offer trajectories that tour the entire space within reasonable time intervals, facilitating the design of libration point orbit tours as well as Earth-Moon cyclers. In the Saturnian system, natural transitions between resonant and libration point orbits are sought and the problem of accessing Hyperion from orbits that are resonant with Titan is

  12. Orbit and size distributions for asteroids temporarily captured by the Earth-Moon system

    NASA Astrophysics Data System (ADS)

    Fedorets, Grigori; Granvik, Mikael; Jedicke, Robert

    2017-03-01

    As a continuation of the work by Granvik et al. (2012), we expand the statistical treatment of Earth's temporarily-captured natural satellites from temporarily-captured orbiters (TCOs, i.e., objects which make at least one orbit around the Earth) to the newly redefined subpopulation of temporarily-captured flybys (TCFs). TCFs are objects that while being gravitationally bound fail to make a complete orbit around the Earth while on a geocentric orbit, but nevertheless approach the Earth within its Hill radius. We follow the trajectories of massless test asteroids through the Earth-Moon system and record the orbital characteristics of those that are temporarily captured. We then carry out a steady-state analysis utilizing the novel NEO population model by Granvik et al. (2016). We also investigate how an quadratic distribution at very small values of e⊙ and i⊙ affects the predicted population statistics of Earth's temporarily-captured natural satellites. The steady-state population in both cases (constant and quadratic number distributions inside the e and i bins) is predicted to contain a slightly reduced number of meter-sized asteroids compared to the values of the previous paper. For the combined TCO/TCF population, we find the largest body constantly present on a geocentric orbit to be on the order of 80 cm in diameter. In the phase space, where the capture is possible, the capture efficiency of TCOs and TCFs is O(10-6 -10-4) . We also find that kilometer-scale asteroids are captured once every 10 Myr.

  13. The exploration of Titan with an orbiter and a lake probe

    NASA Astrophysics Data System (ADS)

    Mitri, Giuseppe; Coustenis, Athena; Fanchini, Gilbert; Hayes, Alex G.; Iess, Luciano; Khurana, Krishan; Lebreton, Jean-Pierre; Lopes, Rosaly M.; Lorenz, Ralph D.; Meriggiola, Rachele; Moriconi, Maria Luisa; Orosei, Roberto; Sotin, Christophe; Stofan, Ellen; Tobie, Gabriel; Tokano, Tetsuya; Tosi, Federico

    2014-12-01

    Fundamental questions involving the origin, evolution, and history of both Titan and the broader Saturnian system can be answered by exploring this satellite from an orbiter and also in situ. We present the science case for an exploration of Titan and one of its lakes from a dedicated orbiter and a lake probe. Observations from an orbit-platform can improve our understanding of Titan's geological processes, surface composition and atmospheric properties. Further, combined measurements of the gravity field, rotational dynamics and electromagnetic field can expand our understanding of the interior and evolution of Titan. An in situ exploration of Titan's lakes provides an unprecedented opportunity to understand the hydrocarbon cycle, investigate a natural laboratory for prebiotic chemistry and habitability potential, and study meteorological and marine processes in an exotic environment. We briefly discuss possible mission scenarios for a future exploration of Titan with an orbiter and a lake probe.

  14. Evidence for W=0 pairing in repulsive Hubbard square and hexagonal geometries

    NASA Astrophysics Data System (ADS)

    Perfetto, Enrico; Stefanucci, Gianluca; Callegari, Agnese; Cini, Michele

    2004-08-01

    Square and hexagonal lattices with purely repulsive on-site interactions on all sites and appropriate fillings show W=0 pairing, and the effective attractive interaction is due to a symmetry driven correlation effect; the W=0 pairs are two-body singlet eigenstates of the Hamiltonian with vanishing on-site repulsion. We can set up gedanken experiments with these bound pairs. Chains of CuO 4 units connected by weak links provide a test case which displays bound pair hopping and superconducting flux quantization (SFQ). Focusing on the low-energy sector, one obtains an accurate description in terms of an effective hard-core boson Hamiltonian which naturally describes itinerant pairs and SFQ in mesoscopic rings. For the numerical calculations, we take advantage of a recently proposed exact spin-disentangled diagonalization technique which can be generally applied to many-fermion problems and drastically reduces the size of the matrices to be handled. Remarkably, the very same pairing mechanism also works neatly with the wrapped honeycomb lattice, suitable for armchair carbon nanotubes; the binding energy of W=0 pairs depends strongly on the filling and decreases towards a small but non-zero value in the graphite limit.

  15. Experimental extraction of an entangled photon pair from two identically decohered pairs.

    PubMed

    Yamamoto, Takashi; Koashi, Masato; Ozdemir, Sahin Kaya; Imoto, Nobuyuki

    2003-01-23

    Entanglement is considered to be one of the most important resources in quantum information processing schemes, including teleportation, dense coding and entanglement-based quantum key distribution. Because entanglement cannot be generated by classical communication between distant parties, distribution of entangled particles between them is necessary. During the distribution process, entanglement between the particles is degraded by the decoherence and dissipation processes that result from unavoidable coupling with the environment. Entanglement distillation and concentration schemes are therefore needed to extract pairs with a higher degree of entanglement from these less-entangled pairs; this is accomplished using local operations and classical communication. Here we report an experimental demonstration of extraction of a polarization-entangled photon pair from two decohered photon pairs. Two polarization-entangled photon pairs are generated by spontaneous parametric down-conversion and then distributed through a channel that induces identical phase fluctuations to both pairs; this ensures that no entanglement is available as long as each pair is manipulated individually. Then, through collective local operations and classical communication we extract from the two decohered pairs a photon pair that is observed to be polarization-entangled.

  16. Resonant tunneling of fluctuation Cooper pairs

    DOE PAGES

    Galda, Alexey; Mel'nikov, A. S.; Vinokur, V. M.

    2015-02-09

    Superconducting fluctuations have proved to be an irreplaceable source of information about microscopic and macroscopic material parameters that could be inferred from the experiment. According to common wisdom, the effect of thermodynamic fluctuations in the vicinity of the superconducting transition temperature, T c, is to round off all of the sharp corners and discontinuities, which otherwise would have been expected to occur at T c. Here we report the current spikes due to radiation-induced resonant tunneling of fluctuation Cooper pairs between two superconductors which grow even sharper and more pronounced upon approach to T c. This striking effect offers anmore » unprecedented tool for direct measurements of fluctuation Cooper pair lifetime, which is key to our understanding of the fluctuation regime, most notably to nature of the pseudogap state in high-temperature superconductors. Lastly, our finding marks a radical departure from the conventional view of superconducting fluctuations as a blurring and rounding phenomenon.« less

  17. Spin-orbit-torque-induced skyrmion dynamics for different types of spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Lee, Seung-Jae; Kim, Kyoung-Whan; Lee, Hyun-Woo; Lee, Kyung-Jin

    2018-06-01

    We investigate current-induced skyrmion dynamics in the presence of Dzyaloshinskii-Moriya interaction and spin-orbit spin-transfer torque corresponding to various types of spin-orbit coupling. We determine the symmetries of Dzyaloshinskii-Moriya interaction and spin-orbit spin-transfer torque based on linear spin-orbit coupling model. We find that like interfacial Dzyaloshinskii-Moriya interaction (Rashba spin-orbit coupling) and bulk Dzyaloshinskii-Moriya interaction (Weyl spin-orbit coupling), Dresselhaus spin-orbit coupling also has a possibility for stabilizing skyrmion and current-induced skyrmion dynamics.

  18. Estimating Eulerian spectra from pairs of drifters

    NASA Astrophysics Data System (ADS)

    LaCasce, Joe

    2017-04-01

    GPS-tracked surface drifters offer the possibility of sampling energetic variations at the ocean surface on scales of only 10s of meters, much less than that resolved by satellite. Here we investigate whether velocity differences between pairs of drifters can be used to estimate kinetic energy spectra. Theoretical relations between the spectrum and the second-order longitudinal structure function for 2D non-divergent flow are derived. The structure function is a natural statistic for particle pairs and is easily calculated. However it integrates contributions across wavenumber, and this tends to obscure the spectral dependencies when turbulent inertial ranges are of finite extent. Nevertheless, the transform from spectrum to structure function is robust, as illustrated with Eulerian data collected from aircraft. The inverse transform, from structure function to spectrum, is much less robust, yielding poor results in particular at large wavenumbers. This occurs because the transform involves a filter function which magnifies contributions from large pair separations, which tend to be noisy. Fitting the structure function to a polynomial improves the spectral estimate, but not sufficiently to distinguish correct inertial range dependencies. Thus with Lagrangian data, it is appears preferable to focus on structure functions, despite their shortcomings.

  19. Spin precession in spin-orbit coupled weak links: Coulomb repulsion and Pauli quenching

    NASA Astrophysics Data System (ADS)

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

    2017-12-01

    A simple model for the transmission of pairs of electrons through a weak electric link in the form of a nanowire made of a material with strong electron spin-orbit interaction (SOI) is presented, with emphasis on the effects of Coulomb interactions and the Pauli exclusion principle. The constraints due to the Pauli principle are shown to "quench" the coherent SOI-induced precession of the spins when the spatial wave packets of the two electrons overlap significantly. The quenching, which results from the projection of the pair's spin states onto spin-up and spin-down states on the link, breaks up the coherent propagation in the link into a sequence of coherent hops that add incoherently. Applying the model to the transmission of Cooper pairs between two superconductors, we find that in spite of Pauli quenching, the Josephson current oscillates with the strength of the SOI, but may even change its sign (compared to the limit of the Coulomb blockade, when the quenching is absent). Conditions for an experimental detection of these features are discussed.

  20. Molecular structure, Normal Coordinate Analysis, harmonic vibrational frequencies, Natural Bond Orbital, TD-DFT calculations and biological activity analysis of antioxidant drug 7-hydroxycoumarin

    NASA Astrophysics Data System (ADS)

    Sebastian, S.; Sylvestre, S.; Jayarajan, D.; Amalanathan, M.; Oudayakumar, K.; Gnanapoongothai, T.; Jayavarthanan, T.

    2013-01-01

    In this work, we report harmonic vibrational frequencies, molecular structure, NBO and HOMO, LUMO analysis of Umbelliferone also known as 7-hydroxycoumarin (7HC). The optimized geometric bond lengths and bond angles obtained by computation (monomer and dimmer) shows good agreement with experimental XRD data. Harmonic frequencies of 7HC were determined and analyzed by DFT utilizing 6-311+G(d,p) as basis set. The assignments of the vibrational spectra have been carried out with the help of Normal Coordinate Analysis (NCA) following the Scaled Quantum Mechanical Force Field Methodology (SQMFF). The change in electron density (ED) in the σ* and π* antibonding orbitals and stabilization energies E(2) have been calculated by Natural Bond Orbital (NBO) analysis to give clear evidence of stabilization originating in the hyperconjugation of hydrogen-bonded interaction. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) complements with the experimental findings. The simulated spectra satisfactorily coincides with the experimental spectra. Microbial activity of studied compounds was tested against Staphylococcus aureus, Streptococcus pyogenes, Bacillus subtilis, Escherichia coli, Psuedomonas aeruginosa, Klebsiella pneumoniae, Proteus mirabilis, Shigella flexneri, Salmonella typhi and Enterococcus faecalis.

  1. A Case of Orbital Abscess following Porous Orbital Implant Infection

    PubMed Central

    Hong, Seung Woo; Paik, Ji-Sun; Kim, So-Youl

    2006-01-01

    Purpose We present a case of orbital abscess following porous orbital implant infection in a 73-year-old woman with rheumatoid arthritis. Methods Just one month after a seemingly uncomplicated enucleation and porous polyethylene (Medpor®) orbital implant surgery, implant exposure developed with profuse pus discharge. The patient was unresponsive to implant removal and MRI confirmed the presence of an orbital pus pocket. Despite extirpation of the four rectus muscles, inflammatory granulation debridement and abscess drainage, another new pus pocket developed. Results After partial orbital exenteration, the wound finally healed well without any additional abscess formation. Conclusions A patient who has risk factors for delayed wound healing must be examined thoroughly and extreme care such as exenteration must be taken if there is persistent infection. PMID:17302210

  2. Periodic orbits of solar sail equipped with reflectance control device in Earth-Moon system

    NASA Astrophysics Data System (ADS)

    Yuan, Jianping; Gao, Chen; Zhang, Junhua

    2018-02-01

    In this paper, families of Lyapunov and halo orbits are presented with a solar sail equipped with a reflectance control device in the Earth-Moon system. System dynamical model is established considering solar sail acceleration, and four solar sail steering laws and two initial Sun-sail configurations are introduced. The initial natural periodic orbits with suitable periods are firstly identified. Subsequently, families of solar sail Lyapunov and halo orbits around the L1 and L2 points are designed with fixed solar sail characteristic acceleration and varying reflectivity rate and pitching angle by the combination of the modified differential correction method and continuation approach. The linear stabilities of solar sail periodic orbits are investigated, and a nonlinear sliding model controller is designed for station keeping. In addition, orbit transfer between the same family of solar sail orbits is investigated preliminarily to showcase reflectance control device solar sail maneuver capability.

  3. Photometric observations and orbital period variations of HS 0705 + 6700 and NY Vir

    NASA Astrophysics Data System (ADS)

    Çamurdan, C. M.; Zengin Çamurdan, D.; İbanoǧlu, C.

    2012-04-01

    We present photometric observations of two post-common-envelope stars, NY Vir (=PG 1336-018) and HS 0705 + 6700. The V band CCD observation of NY Vir was performed by a 40 cm telescope at Ege University Observatory and the R band observations of HS 0705 + 6700 were performed by 100 cm telescope at TÜBİTAK National Observatory. The new light curves were analyzed by the WD code and the physical parameters of stars were determined. We obtained new mid-eclipse timings for HS 0705 + 6700 and combined them with those previously published data. The analysis of the O-C residuals yields a period of about 8.06 ± 0.28 yr and an amplitude of 98.5 s for the system HS 0705 + 6700, which is attributed to the third star physically bounded to the evolved eclipsing pair. A mass function of 1.2 × 10 -4 M⊙ for the third star is obtained. The existence of a third star is also confirmed by the light curve analysis, indicating light contribution of about 0.043 at phase 0.25 in R-bandpass of the eclipsing pair. Using mass-luminosity relationship of the low mass stars we estimate a mass of 0.12 M⊙ with an orbital inclination of about 20°. The O-C residuals obtained for the system NY Vir were represented by a downward parabola which indicates orbital period decrease in the system. Using the coefficient of quadratic term we calculate a rate of orbital period decrease of about dP/ dt = -4.09 × 10 -8days yr -1. The period decrease we have measured in NY Vir may be explained by angular momentum loss from the binary system.

  4. Solar Activity Forecasting for use in Orbit Prediction

    NASA Technical Reports Server (NTRS)

    Schatten, Kenneth

    2001-01-01

    Orbital prediction for satellites in low Earth orbit (LEO) or low planetary orbit depends strongly on exospheric densities. Solar activity forecasting is important in orbital prediction, as the solar UV and EUV inflate the upper atmospheric layers of the Earth and planets, forming the exosphere in which satellites orbit. Geomagnetic effects also relate to solar activity. Because of the complex and ephemeral nature of solar activity, with different cycles varying in strength by more than 100%, many different forecasting techniques have been utilized. The methods range from purely numerical techniques (essentially curve fitting) to numerous oddball schemes, as well as a small subset, called 'Precursor techniques.' The situation can be puzzling, owing to the numerous methodologies involved, somewhat akin to the numerous ether theories near the turn of the last century. Nevertheless, the Precursor techniques alone have a physical basis, namely dynamo theory, which provides a physical explanation for why this subset seems to work. I discuss this solar cycle's predictions, as well as the Sun's observed activity. I also discuss the SODA (Solar Dynamo Amplitude) index, which provides the user with the ability to track the Sun's hidden, interior dynamo magnetic fields. As a result, one may then update solar activity predictions continuously, by monitoring the solar magnetic fields as they change throughout the solar cycle. This paper ends by providing a glimpse into what the next solar cycle (#24) portends.

  5. Thermoluminescence of meteorites and their orbits

    NASA Astrophysics Data System (ADS)

    Melcher, C. L.

    1981-01-01

    The thermoluminescence levels of 45 ordinary chondrites are measured in order to provide information on the orbital characteristics of the meteorites before impact. Glow curves of the photon emission response of powdered samples of the meteorites to temperatures up to 550 C in the natural state and following irradiation by a laboratory test dose of 110,000 rad were obtained as functions of terrestrial age and compared to those of samples of the Pribram, Lost City and Innisfree meteorites, for which accurate orbital data is available. The thermoluminescence levels in 40 out of 42 meteorites are found to be similar to those of the three control samples, indicating that the vast majority of ordinary chondrites that survive atmospheric entry have perihelia in the range 0.8-1 AU. Of the remaining two, Farmville is observed to exhibit an unusually large gradient in thermoluminescence levels with sample depth, which may be a result of a temperature gradient arising in a slowly rotating meteorite. Finally, the thermoluminescence measured in the Malakal meteorite is found to be two orders of magnitude lower than control samples, which is best explained by thermal draining by solar heating in an orbit with a perihelion distance of 0.5 to 0.6 AU.

  6. Repeatedly pairing vagus nerve stimulation with a movement reorganizes primary motor cortex.

    PubMed

    Porter, Benjamin A; Khodaparast, Navid; Fayyaz, Tabbassum; Cheung, Ryan J; Ahmed, Syed S; Vrana, William A; Rennaker, Robert L; Kilgard, Michael P

    2012-10-01

    Although sensory and motor systems support different functions, both systems exhibit experience-dependent cortical plasticity under similar conditions. If mechanisms regulating cortical plasticity are common to sensory and motor cortices, then methods generating plasticity in sensory cortex should be effective in motor cortex. Repeatedly pairing a tone with a brief period of vagus nerve stimulation (VNS) increases the proportion of primary auditory cortex responding to the paired tone (Engineer ND, Riley JR, Seale JD, Vrana WA, Shetake J, Sudanagunta SP, Borland MS, Kilgard MP. 2011. Reversing pathological neural activity using targeted plasticity. Nature. 470:101-104). In this study, we predicted that repeatedly pairing VNS with a specific movement would result in an increased representation of that movement in primary motor cortex. To test this hypothesis, we paired VNS with movements of the distal or proximal forelimb in 2 groups of rats. After 5 days of VNS movement pairing, intracranial microstimulation was used to quantify the organization of primary motor cortex. Larger cortical areas were associated with movements paired with VNS. Rats receiving identical motor training without VNS pairing did not exhibit motor cortex map plasticity. These results suggest that pairing VNS with specific events may act as a general method for increasing cortical representations of those events. VNS movement pairing could provide a new approach for treating disorders associated with abnormal movement representations.

  7. Calculation of the decay rate of tachyonic neutrinos against charged-lepton-pair and neutrino-pair Cerenkov radiation

    NASA Astrophysics Data System (ADS)

    Jentschura, Ulrich D.; Nándori, István; Ehrlich, Robert

    2017-10-01

    We consider in detail the calculation of the decay rate of high-energy superluminal neutrinos against (charged) lepton pair Cerenkov radiation, and neutrino pair Cerenkov radiation, i.e., against the decay channels ν \\to ν {e}+ {e}- and ν \\to ν \\overline{ν } ν . Under the hypothesis of a tachyonic nature of neutrinos, these decay channels put constraints on the lifetime of high-energy neutrinos for terrestrial experiments as well as on cosmic scales. For the oncoming neutrino, we use the Lorentz-covariant tachyonic relation {E}ν =\\sqrt{{p}2-{m}ν 2}, where m ν is the tachyonic mass parameter. We derive both threshold conditions as well as on decay and energy loss rates, using the plane-wave fundamental bispinor solutions of the tachyonic Dirac equation. Various intricacies of rest frame versus lab frame calculations are highlighted. The results are compared to the observations of high-energy IceCube neutrinos of cosmological origin.

  8. Recognition of Watson-Crick base pairs: constraints and limits due to geometric selection and tautomerism

    PubMed Central

    Yusupov, Marat; Yusupova, Gulnara

    2014-01-01

    The