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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.

    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

  2. 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

  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. 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.

  5. 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.

  6. 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.

  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. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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

  15. 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

  16. 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.

  17. 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).

  18. 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).

  19. 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.

  20. 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

  1. 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

  2. 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.

  3. 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

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

    SciTech Connect

    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

  5. 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.

  6. 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.

  7. 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

  8. 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 .

  9. Control in the Rate-Determining Step Provides a Promising Strategy To Develop New Catalysts for CO2 Hydrogenation: A Local Pair Natural Orbital Coupled Cluster Theory Study.

    PubMed

    Mondal, Bhaskar; Neese, Frank; Ye, Shengfa

    2015-08-03

    The development of efficient catalysts with base metals for CO2 hydrogenation has always been a major thrust of interest. A series of experimental and theoretical work has revealed that the catalytic cycle typically involves two key steps, namely, base-promoted heterolytic H2 splitting and hydride transfer to CO2, either of which can be the rate-determining step (RDS) of the entire reaction. To explore the determining factor for the nature of RDS, we present herein a comparative mechanistic investigation on CO2 hydrogenation mediated by [M(H)(η(2)-H2)(PP3(Ph))](n+) (M = Fe(II), Ru(II), and Co(III); PP3(Ph) = tris(2-(diphenylphosphino)phenyl)phosphine) type complexes. In order to construct reliable free energy profiles, we used highly correlated wave function based ab initio methods of the coupled cluster type alongside the standard density functional theory. Our calculations demonstrate that the hydricity of the metal-hydride intermediate generated by H2 splitting dictates the nature of the RDS for the Fe(II) and Co(III) systems, while the RDS for the Ru(II) catalyst appears to be ambiguous. CO2 hydrogenation catalyzed by the Fe(II) complex that possesses moderate hydricity traverses an H2-splitting RDS, whereas the RDS for the high-hydricity Co(III) species is found to be the hydride transfer. Thus, our findings suggest that hydricity can be used as a practical guide in future catalyst design. Enhancing the electron-accepting ability of low-hydricity catalysts is likely to improve their catalytic performance, while increasing the electron-donating ability of high-hydricity complexes may speed up CO2 conversion. Moreover, we also established the active roles of base NEt3 in directing the heterolytic H2 splitting and assisting product release through the formation of an acid-base complex.

  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

    SciTech Connect

    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

  11. 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.

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

    SciTech Connect

    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

  13. 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

  14. 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.

  15. The intrapair electron correlation in natural orbital functional theory

    SciTech Connect

    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

  16. 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.

  17. 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.

  18. 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

  19. 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

  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. 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.

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

    SciTech Connect

    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

  4. 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.

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

    SciTech Connect

    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

  6. 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.

  7. 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

  8. Discovery of orbital-selective Cooper pairing in FeSe

    SciTech Connect

    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

  9. 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.

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

    SciTech Connect

    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.

  11. 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.

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

    SciTech Connect

    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

  13. 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

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. Orbital

    NASA Astrophysics Data System (ADS)

    Hanson, Robert M.

    2003-06-01

    ORBITAL requires the following software, which is available for free download from the Internet: Netscape Navigator, version 4.75 or higher, or Microsoft Internet Explorer, version 5.0 or higher; Chime Plug-in, version compatible with your OS and browser (available from MDL).

  8. Resolving LDEF's flux distribution: Orbital (debris?) and natural meteoroid populations

    NASA Technical Reports Server (NTRS)

    Mcdonnell, J. A. M.

    1993-01-01

    A consistent methodology for the collation of data from both penetration and perforation experiments and from data in the Meteoroid and Debris Special Investigator Group (M-D SIG) data-base has led to the derivation of the average impact flux over LDEF's exposure history 1984-1990. Data are first presented for LDEF's N,S,E,W and Space faces ('offset' by 8 deg and 'tilted' by 1 deg respectively). A model fit is derived for ballistic limits of penetration from 1 micron to 1mm of aluminium target, corresponding to impactor masses from 10(exp -18) kg (for rho sub p = 2g/cu cm) to 10(exp -10) kg (for rho sub p = 1g/cu cm). A second order harmonic function is fitted to the N,S,E, and W fluxes to establish the angular distribution at regular size intervals; this fit is then used to provide 'corrected' data corresponding to fluxes applicable to true N,S,E,W and Space directions for a LEO 28.5 degree inclination orbit at a mean altitude of 465 km.

  9. 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.

  10. 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)

  11. 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.

  12. 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.

  13. 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.

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

    SciTech Connect

    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

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. 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

  20. 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

  1. 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).

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. 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).

  11. 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.

  12. 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.

  13. Constraints on the Nature of CID-42: Recoil Kick or Supermassive Black Hole Pair?

    NASA Technical Reports Server (NTRS)

    Blecha, Laura; Civano, Francesca; Elvis, Martin; Loeb, Abraham

    2012-01-01

    The galaxy CXOC J100043.1+020637, also known as CID-42, is a highly unusual object. An apparent galaxy merger remnant, it displays signatures of both an inspiraling, kiloparsecscale active galactic nucleus (AGN) pair and of a recoiling AGN with a kick velocity approximately greater than 1300 km s(exp -1). Among recoiling AGN candidates, CID-42 alone has both spatial offsets (in optical and X-ray bands) and spectroscopic offsets. In order to constrain the relative likelihood of both scenarios, we develop models using hydrodynamic galaxy merger simulations coupled with radiative transfer calculations. Our gas-rich, major merger models are generally well matched to the galactic morphology and to the inferred stellar mass and star formation rate. We show that a recoiling supermassive black hole (SMBH) in CID-42 should be observable as an AGN at the time of observation. However, in order for the recoiling AGN to produce narrow-line emission, it must be observed shortly after the kick while it still inhabits a dense gaseous region, implying a large total kick velocity (vk approximately greater than 2000 km s(exp -1)). For the dual AGN scenario, an unusually large broad-line offset is required, and the best match to the observed morphology requires a galaxy that is less luminous than CID-42. Further, the lack of X-ray emission from one of the two optical nuclei is not easily attributed to an intrinsically quiescent SMBH or to a Compton-thick galactic environment. While the current data do not allow either the recoiling or the dual AGN scenario for CID-42 to be excluded, our models highlight the most relevant parameters for distinguishing these possibilities with future observations. In particular, high-quality, spatially-resolved spectra that can pinpoint the origin of the broad and narrow line features will be critical for determining the nature of this unique source.

  14. 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

  15. 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

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  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. 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

  6. 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.

  7. Two pairs of farnesyl phenolic enantiomers as natural nitric oxide inhibitors from Ganoderma sinense.

    PubMed

    Wang, Meng; Wang, Fei; Xu, Feng; Ding, Li-Qin; Zhang, Qian; Li, Hui-Xiang; Zhao, Feng; Wang, Li-Qing; Zhu, Li-Han; Chen, Li-Xia; Qiu, Feng

    2016-07-15

    Four new farnesyl phenolic compounds, ganosinensols A-D (1-4) were isolated from the 95% EtOH extract of the fruiting bodies of Ganoderma sinense. Two pairs of enantiomers, 1/2, and 3/4 were isolated by HPLC using a Daicel Chiralpak IE column. Their structures were elucidated from extensive spectroscopic analyses and comparison with literature data. The absolute configurations of 1-4 were assigned by ECD spectra. All of these isolated compounds showed potent inhibitory activity against LPS-induced nitric oxide production in RAW 264.7 macrophages, with IC50 values from 1.15 to 2.26μM. Copyright © 2016 Elsevier Ltd. All rights reserved.

  8. 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

  9. 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

  10. 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.

  11. 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

  12. 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

  13. 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.

  14. 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.

  15. Spin-polaron nature of fermion quasiparticles and their d-wave pairing in cuprate superconductors

    NASA Astrophysics Data System (ADS)

    Val'kov, V. V.; Dzebisashvili, D. M.; Barabanov, A. F.

    2016-11-01

    In the framework of the spin-fermion model, to which the Emery model is reduced in the limit of strong electron correlations, it is shown that the fermion quasiparticles in cuprate high- T c superconductors (HTSCs) arise under a strong effect of exchange coupling between oxygen holes and spins of copper ions. This underlies the spin-polaron nature of fermion quasiparticles in cuprate HTSCs. The Cooper instability with respect to the d-wave symmetry of the order parameter is revealed for an ensemble of such quasiparticles. For the normal phase, the spin-polaron concept allows us to reproduce the fine details in the evolution of the Fermi surface with the changes in the doping level x observed in experiment for La2-xSrxCuO4. The calculated T-x phase diagram correlates well with the available experimental data for cuprate HTSCs.

  16. 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.

  17. 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.

  18. 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

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

    SciTech Connect

    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

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

    SciTech Connect

    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

  1. 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

  2. Nature of magnetization and lateral spin-orbit interaction in gated semiconductor nanowires.

    PubMed

    Karlsson, H; Yakimenko, I I; Berggren, K-F

    2018-05-31

    Semiconductor nanowires are interesting candidates for realization of spintronics devices. In this paper we study electronic states and effects of lateral spin-orbit coupling (LSOC) in a one-dimensional asymmetrically biased nanowire using the Hartree-Fock method with Dirac interaction. We have shown that spin polarization can be triggered by LSOC at finite source-drain bias,as a result of numerical noise representing a random magnetic field due to wiring or a random background magnetic field by Earth magnetic field, for instance. The electrons spontaneously arrange into spin rows in the wire due to electron interactions leading to a finite spin polarization. The direction of polarization is, however, random at zero source-drain bias. We have found that LSOC has an effect on orientation of spin rows only in the case when source-drain bias is applied.

  3. Nature of magnetization and lateral spin–orbit interaction in gated semiconductor nanowires

    NASA Astrophysics Data System (ADS)

    Karlsson, H.; Yakimenko, I. I.; Berggren, K.-F.

    2018-05-01

    Semiconductor nanowires are interesting candidates for realization of spintronics devices. In this paper we study electronic states and effects of lateral spin–orbit coupling (LSOC) in a one-dimensional asymmetrically biased nanowire using the Hartree–Fock method with Dirac interaction. We have shown that spin polarization can be triggered by LSOC at finite source-drain bias,as a result of numerical noise representing a random magnetic field due to wiring or a random background magnetic field by Earth magnetic field, for instance. The electrons spontaneously arrange into spin rows in the wire due to electron interactions leading to a finite spin polarization. The direction of polarization is, however, random at zero source-drain bias. We have found that LSOC has an effect on orientation of spin rows only in the case when source-drain bias is applied.

  4. 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.

  5. 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.

  6. The Physical Nature and Orbital Behavior of the Eclipsing System DK Cygni

    NASA Astrophysics Data System (ADS)

    Lee, Jae Woo; Youn, Jae-Hyuck; Park, Jang-Ho; Wolf, Marek

    2015-06-01

    New CCD photometry is presented for the hot overcontact binary DK Cyg together with reasonable explanations for the light and period variations. Historical light and velocity curves from 1962 to 2012 were simultaneously analyzed with the Wilson-Devinney (W-D) synthesis code. The brightness disturbances were satisfactorily modeled by applying a magnetic cool spot on the primary star. Based on 261 times of minimum light that include 116 new timings and span more than 87 years, a period study reveals that the orbital period has varied due to a periodic oscillation superimposed on an upward parabola. The period and semi-amplitude of the modulation are about 78.1 years and 0.0037 days, respectively. This detail is interpreted as a light-travel-time effect due to a circumbinary companion with a minimum mass of M3 = 0.065 M⊙, within the theoretical limit of ˜0.07 M⊙ for a brown dwarf star. The observed period increase at a fractional rate of +2.74 × 10-10 is in excellent agreement with that calculated from our W-D synthesis. Mass transfer from the secondary to the primary component is mainly responsible for the secular period change. We examined the evolutionary status of the DK Cyg system from the absolute dimensions.

  7. Physical Nature and Orbital Behavior of the Eclipsing System UZ Leonis

    NASA Astrophysics Data System (ADS)

    Lee, Jae Woo; Park, Jang-Ho

    2018-03-01

    New CCD photometric observations of UZ Leo were obtained between 2012 February and 2013 April, and on 2017 February. Its physical properties were derived from detailed analyses of our light curves and existing radial velocities. The results indicate that this system is a totally eclipsing A-subtype overcontact binary with both a high fill-out factor of 76% and a third light source contributing 12% light in the B bandpass, 10% in V, and 7% in R. The light residuals between observations and theoretical models are satisfactorily fitted by adopting a magnetic cool spot on the more massive primary star. Including our 12 measurements, a total of 172 eclipse times were used for ephemeris computations. We found that the orbital period of UZ Leo has varied due to a periodic oscillation superposed on an upward parabolic variation. The observed period increase at a rate of +3.49× {10}-7 day yr‑1 can be plausibly explained by some combination of non-conservative mass transfer from the secondary to the primary component and angular momentum loss due to magnetic braking. The period and semi-amplitude of the oscillation are about 139 years and 0.0225 days, respectively, which is interpreted as a light-time effect due to a third component with a mass of {M}3\\sin {i}3=0.30 {M}ȯ . Because the third lights of 7%–12% indicate that the circumbinary object is very overluminous for its mass, it would possibly match a white dwarf, rather than an M-type main sequence.

  8. Effect of BrU on the transition between wobble Gua-Thy and tautomeric Gua-Thy base-pairs: ab initio molecular orbital calculations

    NASA Astrophysics Data System (ADS)

    Nomura, Kazuya; Hoshino, Ryota; Hoshiba, Yasuhiro; Danilov, Victor I.; Kurita, Noriyuki

    2013-04-01

    We investigated transition states (TS) between wobble Guanine-Thymine (wG-T) and tautomeric G-T base-pair as well as Br-containing base-pairs by MP2 and density functional theory (DFT) calculations. The obtained TS between wG-T and G*-T (asterisk is an enol-form of base) is different from TS got by the previous DFT calculation. The activation energy (17.9 kcal/mol) evaluated by our calculation is significantly smaller than that (39.21 kcal/mol) obtained by the previous calculation, indicating that our TS is more preferable. In contrast, the obtained TS and activation energy between wG-T and G-T* are similar to those obtained by the previous DFT calculation. We furthermore found that the activation energy between wG-BrU and tautomeric G-BrU is smaller than that between wG-T and tautomeric G-T. This result elucidates that the replacement of CH3 group of T by Br increases the probability of the transition reaction producing the enol-form G* and T* bases. Because G* prefers to bind to T rather than to C, and T* to G not A, our calculated results reveal that the spontaneous mutation from C to T or from A to G base is accelerated by the introduction of wG-BrU base-pair.

  9. 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.

  10. 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.

  11. 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.

  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. An LDEF 2 dust instrument for discrimination between orbital debris and natural particles in near-Earth space

    NASA Technical Reports Server (NTRS)

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

    1993-01-01

    The characteristics of a space dust instrument which would be ideally suited to carry out near-Earth dust measurements on a possible Long Duraction Exposure Facility reflight mission (LDEF 2) is discussed. As a model for the trajectory portion of the instrument proposed for LDEF 2, the characteristics of a SPAce DUSt instrument (SPADUS) currently under development for flight on the USA ARGOS mission to measure the flux, mass, velocity, and trajectory of near-Earth dust is summarized. 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. The SPADUS measurements will cover the dust mass range approximately 5 x 10(exp -12) g (2 microns diameter) to approximately 1 x 10(exp -5) g (200 microns diameter), with an expected mean error in particle trajectory of approximately 7 deg (isotropic flux). Arrays of capture cell devices positioned behind the trajectory instrumentation would provide for Earth-based chemical and isotopic analysis of captured dust. The SPADUS measurement principles, characteristics, its role in the ARGOS mission, and its application to an LDEF 2 mission are summarized.

  14. Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials.

    PubMed

    Petruzielo, F R; Toulouse, Julien; Umrigar, C J

    2011-02-14

    A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a multiconfigurational self-consistent field calculation supplemented with primitive functions, chosen such that the asymptotics are appropriate for the potential of the system. Primitives are optimized for the homonuclear diatomic molecule to produce a balanced basis set. Two general features that facilitate this basis construction are demonstrated. First, weak coupling exists between the optimal exponents of primitives with different angular momenta. Second, the optimal primitive exponents for a chosen system depend weakly on the particular level of theory employed for optimization. The explicit case considered here is a basis set appropriate for the Burkatzki-Filippi-Dolg pseudopotentials. Since these pseudopotentials are finite at nuclei and have a Coulomb tail, the recently proposed Gauss-Slater functions are the appropriate primitives. Double- and triple-zeta bases are developed for elements hydrogen through argon. These new bases offer significant gains over the corresponding Burkatzki-Filippi-Dolg bases at various levels of theory. Using a Gaussian expansion of the basis functions, these bases can be employed in any electronic structure method. Quantum Monte Carlo provides an added benefit: expansions are unnecessary since the integrals are evaluated numerically.

  15. Structural variability and the nature of intermolecular interactions in Watson-Crick B-DNA base pairs.

    PubMed

    Czyznikowska, Z; Góra, R W; Zaleśny, R; Lipkowski, P; Jarzembska, K N; Dominiak, P M; Leszczynski, J

    2010-07-29

    A set of nearly 100 crystallographic structures was analyzed using ab initio methods in order to verify the effect of the conformational variability of Watson-Crick guanine-cytosine and adenine-thymine base pairs on the intermolecular interaction energy and its components. Furthermore, for the representative structures, a potential energy scan of the structural parameters describing mutual orientation of the base pairs was carried out. The results were obtained using the hybrid variational-perturbational interaction energy decomposition scheme. The electron correlation effects were estimated by means of the second-order Møller-Plesset perturbation theory and coupled clusters with singles and doubles method adopting AUG-cc-pVDZ basis set. Moreover, the characteristics of hydrogen bonds in complexes, mimicking those appearing in B-DNA, were evaluated using topological analysis of the electron density. Although the first-order electrostatic energy is usually the largest stabilizing component, it is canceled out by the associated exchange repulsion in majority of the studied crystallographic structures. Therefore, the analyzed complexes of the nucleic acid bases appeared to be stabilized mainly by the delocalization component of the intermolecular interaction energy which, in terms of symmetry adapted perturbation theory, encompasses the second- and higher-order induction and exchange-induction terms. Furthermore, it was found that the dispersion contribution, albeit much smaller in terms of magnitude, is also a vital stabilizing factor. It was also revealed that the intermolecular interaction energy and its components are strongly influenced by four (out of six) structural parameters describing mutual orientation of bases in Watson-Crick pairs, namely shear, stagger, stretch, and opening. Finally, as a part of a model study, much of the effort was devoted to an extensive testing of the UBDB databank. It was shown that the databank quite successfully reproduces the

  16. A likelihood-based approach for assessment of extra-pair paternity and conspecific brood parasitism in natural populations

    USGS Publications Warehouse

    Lemons, Patrick R.; Marshall, T.C.; McCloskey, Sarah E.; Sethi, S.A.; Schmutz, Joel A.; Sedinger, James S.

    2015-01-01

    Genotypes are frequently used to assess alternative reproductive strategies such as extra-pair paternity and conspecific brood parasitism in wild populations. However, such analyses are vulnerable to genotyping error or molecular artifacts that can bias results. For example, when using multilocus microsatellite data, a mismatch at a single locus, suggesting the offspring was not directly related to its putative parents, can occur quite commonly even when the offspring is truly related. Some recent studies have advocated an ad-hoc rule that offspring must differ at more than one locus in order to conclude that they are not directly related. While this reduces the frequency with which true offspring are identified as not directly related young, it also introduces bias in the opposite direction, wherein not directly related young are categorized as true offspring. More importantly, it ignores the additional information on allele frequencies which would reduce overall bias. In this study, we present a novel technique for assessing extra-pair paternity and conspecific brood parasitism using a likelihood-based approach in a new version of program cervus. We test the suitability of the technique by applying it to a simulated data set and then present an example to demonstrate its influence on the estimation of alternative reproductive strategies.

  17. 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.

  18. The Nature of Negotiations in Face-to-Face versus Computer-Mediated Communication in Pair Interactions

    ERIC Educational Resources Information Center

    Rouhshad, Amir; Wigglesworth, Gillian; Storch, Neomy

    2016-01-01

    The Interaction Approach argues that negotiation for meaning and form is conducive to second language development. To date, most of the research on negotiations has been either in face-to-face (FTF) or text-based synchronous computer-mediated communication (SCMC) modes. Very few studies have compared the nature of negotiations across the modes.…

  19. 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.

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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.

  5. 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

  6. Binary Star Orbits. 4. Orbits of 18 Southern Interferometric Pairs

    DTIC Science & Technology

    2010-09-01

    Horch et al. 2010; Balega et al. 2007; Docobo et al. 2008; Hartkopf & Mason 2009; McAlister et al. 1996; Prieur et al. 2009), their southern...Kubat, J. 1997, A&A, 322, 565 Horch , E. P., Falta, D., Anderson, L. M., DeSousa, M. D., Miniter, C. M., Ahmed, T., & van Altena, W. F. 2010, AJ, 139, 205

  7. Paired Comparisons.

    DTIC Science & Technology

    1982-05-01

    including multidimensional scaling. Applications have arisen in many areas, but most notably in food technolog, marketing research, and sports ... competition .- An extensive bibliography on paired comparisons by Davidson and Farquhar (1976) contains some 400 references. - Paired comparisons have been...consideration of chess competition . Ford (1957) pro- posed the model independently. Both Zermelo and Ford concentrated on solution of normal equations for

  8. Search for natural supersymmetry in events with top quark pairs and photons in pp collisions at √{s}=8 TeV

    NASA Astrophysics Data System (ADS)

    Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; König, A.; Krätschmer, I.; Liko, D.; Matsushita, T.; Mikulec, I.; Rabady, D.; Rad, N.; Rahbaran, B.; Rohringer, H.; Schieck, J.; Strauss, J.; Waltenberger, W.; Wulz, C.-E.; Dvornikov, O.; Makarenko, V.; Mossolov, V.; Suarez Gonzalez, J.; Zykunov, V.; Shumeiko, N.; Alderweireldt, S.; De Wolf, E. A.; Janssen, X.; Lauwers, J.; Van De Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Abu Zeid, S.; Blekman, F.; D'Hondt, J.; Daci, N.; De Bruyn, I.; Deroover, K.; Lowette, S.; Moortgat, S.; Moreels, L.; Olbrechts, A.; Python, Q.; Skovpen, K.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Parijs, I.; Brun, H.; Clerbaux, B.; De Lentdecker, G.; Delannoy, H.; Fasanella, G.; Favart, L.; Goldouzian, R.; Grebenyuk, A.; Karapostoli, G.; Lenzi, T.; Léonard, A.; Luetic, J.; Maerschalk, T.; Marinov, A.; Randle-conde, A.; Seva, T.; Vander Velde, C.; Vanlaer, P.; Vannerom, D.; Yonamine, R.; Zenoni, F.; Zhang, F.; Cornelis, T.; Dobur, D.; Fagot, A.; Gul, M.; Khvastunov, I.; Poyraz, D.; Salva, S.; Schöfbeck, R.; Tytgat, M.; Van Driessche, W.; Verbeke, W.; Zaganidis, N.; Bakhshiansohi, H.; Bondu, O.; Brochet, S.; Bruno, G.; Caudron, A.; De Visscher, S.; Delaere, C.; Delcourt, M.; Francois, B.; Giammanco, A.; Jafari, A.; Komm, M.; Krintiras, G.; Lemaitre, V.; Magitteri, A.; Mertens, A.; Musich, M.; Piotrzkowski, K.; Quertenmont, L.; Vidal Marono, M.; Wertz, S.; Beliy, N.; Aldá Júnior, W. L.; Alves, F. L.; Alves, G. A.; Brito, L.; Hensel, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; Da Silveira, G. G.; De Jesus Damiao, D.; De Oliveira Martins, C.; Fonseca De Souza, S.; Huertas Guativa, L. M.; Malbouisson, H.; Matos Figueiredo, D.; Mora Herrera, C.; Mundim, L.; Nogima, H.; Prado Da Silva, W. L.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Torres Da Silva De Araujo, F.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; Dogra, S.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Moon, C. S.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Fang, W.; Gao, X.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Chen, Y.; Cheng, T.; Jiang, C. H.; Leggat, D.; Liu, Z.; Romeo, F.; Ruan, M.; Shaheen, S. M.; Spiezia, A.; Tao, J.; Wang, C.; Wang, Z.; Yazgan, E.; Zhang, H.; Zhao, J.; Ban, Y.; Chen, G.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; González Hernández, C. F.; Ruiz Alvarez, J. D.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Puljak, I.; Ribeiro Cipriano, P. M.; Sculac, T.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Ferencek, D.; Kadija, K.; Mesic, B.; Susa, T.; Ather, M. W.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Finger, M.; Finger, M.; Carrera Jarrin, E.; Assran, Y.; Mahmoud, M. 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. M.; Stöver, M.; Tholen, H.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.; Vormwald, B.; Akbiyik, M.; Barth, C.; Baur, S.; Baus, C.; Berger, J.; Butz, E.; Caspart, R.; Chwalek, T.; Colombo, F.; De Boer, W.; Dierlamm, A.; Fink, S.; Freund, B.; Friese, R.; Giffels, M.; Gilbert, A.; Goldenzweig, P.; Haitz, D.; Hartmann, F.; Heindl, S. M.; Husemann, U.; Kassel, F.; Katkov, I.; Kudella, S.; Mildner, H.; Mozer, M. U.; Müller, Th.; Plagge, M.; Quast, G.; Rabbertz, K.; Röcker, S.; Roscher, F.; Schröder, M.; Shvetsov, I.; Sieber, G.; Simonis, H. J.; Ulrich, R.; Wayand, S.; Weber, M.; Weiler, T.; Williamson, S.; Wöhrmann, C.; Wolf, R.; Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. A.; Kyriakis, A.; Loukas, D.; Topsis-Giotis, I.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Tziaferi, E.; Kousouris, K.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Loukas, N.; Manthos, N.; Papadopoulos, I.; Paradas, E.; Triantis, F. 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. K.; Chudasama, R.; Dutta, D.; Jha, V.; Kumar, V.; Mohanty, A. K.; Netrakanti, P. K.; Pant, L. M.; Shukla, P.; Topkar, A.; Aziz, T.; Dugad, S.; Kole, G.; Mahakud, B.; Mitra, S.; Mohanty, G. B.; Parida, B.; Sur, N.; Sutar, B.; Banerjee, S.; Dewanjee, R. K.; Ganguly, S.; Guchait, M.; Jain, Sa.; Kumar, S.; Maity, M.; Majumder, G.; Mazumdar, K.; Sarkar, T.; Wickramage, N.; Chauhan, S.; Dube, S.; Hegde, V.; Kapoor, A.; Kothekar, K.; Pandey, S.; Rane, A.; Sharma, S.; Chenarani, S.; Eskandari Tadavani, E.; Etesami, S. M.; Khakzad, M.; Mohammadi Najafabadi, M.; Naseri, M.; Paktinat Mehdiabadi, S.; Rezaei Hosseinabadi, F.; Safarzadeh, B.; Zeinali, M.; Felcini, M.; Grunewald, M.; Abbrescia, M.; Calabria, C.; Caputo, C.; Colaleo, A.; Creanza, D.; Cristella, L.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Miniello, G.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Ranieri, A.; Selvaggi, G.; Sharma, A.; Silvestris, L.; Venditti, R.; Verwilligen, P.; Abbiendi, G.; Battilana, C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Chhibra, S. S.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Montanari, A.; Navarria, F. L.; Perrotta, A.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Albergo, S.; Costa, S.; Di Mattia, A.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.; Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Lenzi, P.; Meschini, M.; Paoletti, S.; Russo, L.; Sguazzoni, G.; Strom, D.; Viliani, L.; Benussi, L.; Bianco, S.; Fabbri, F.; Piccolo, D.; Primavera, F.; Calvelli, V.; Ferro, F.; Monge, M. R.; Robutti, E.; Tosi, S.; Brianza, L.; Brivio, F.; Ciriolo, V.; Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Ghezzi, A.; Govoni, P.; Malberti, M.; Malvezzi, S.; Manzoni, R. A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Pigazzini, S.; Ragazzi, S.; Tabarelli de Fatis, T.; Buontempo, S.; Cavallo, N.; De Nardo, G.; Di Guida, S.; Fabozzi, F.; Fienga, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Paolucci, P.; Sciacca, C.; Thyssen, F.; Azzi, P.; Bacchetta, N.; Benato, L.; Bisello, D.; Boletti, A.; Carlin, R.; Carvalho Antunes De Oliveira, A.; Checchia, P.; Dall'Osso, M.; De Castro Manzano, P.; Dorigo, T.; Dosselli, U.; Gasparini, F.; Gasparini, U.; Gozzelino, A.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Zanetti, M.; Zotto, P.; Zumerle, G.; Braghieri, A.; Fallavollita, F.; Magnani, A.; Montagna, P.; Ratti, S. P.; Re, V.; Ressegotti, M.; Riccardi, C.; Salvini, P.; Vai, I.; Vitulo, P.; Alunni Solestizi, L.; Bilei, G. M.; Ciangottini, D.; Fanò, L.; Lariccia, P.; Leonardi, R.; Mantovani, G.; Mariani, V.; Menichelli, M.; Saha, A.; Santocchia, A.; Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Fedi, G.; Giassi, A.; Grippo, M. T.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Spagnolo, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Barone, L.; Cavallari, F.; Cipriani, M.; Del Re, D.; Diemoz, M.; Gelli, S.; Longo, E.; Margaroli, F.; Marzocchi, B.; Meridiani, P.; Organtini, G.; Paramatti, R.; Preiato, F.; Rahatlou, S.; Rovelli, C.; Santanastasio, F.; Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bartosik, N.; Bellan, R.; Biino, C.; Cartiglia, N.; Cenna, F.; Costa, M.; Covarelli, R.; Degano, A.; Demaria, N.; Kiani, B.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Monteil, E.; Monteno, M.; Obertino, M. M.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Pinna Angioni, G. L.; Ravera, F.; Romero, A.; Ruspa, M.; Sacchi, R.; Shchelina, K.; Sola, V.; Solano, A.; Staiano, A.; Traczyk, P.; Belforte, S.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Zanetti, A.; Kim, D. H.; Kim, G. N.; Kim, M. S.; Lee, J.; Lee, S.; Lee, S. W.; Oh, Y. 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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.

  9. Search for natural supersymmetry in events with top quark pairs and photons in pp collisions at $$ \\sqrt{s}=8 $$ TeV

    SciTech Connect

    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

  10. 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

  11. Attendant Pair

    NASA Image and Video Library

    2010-03-25

    Two moons orbit serenely before Saturn while large storms churn through the planet southern hemisphere in this image taken by NASA Cassini spacecraft. The moon Mimas is on the right. Dione is on the left.

  12. Potato Pair

    NASA Image and Video Library

    2010-01-14

    Pandora and Prometheus, the shepherding moons of the F ring, orbit inside and outside the thin ring. The elongated, potato-like shapes of the two moons are both visible in this image taken by NASA Cassini spacecraft.

  13. 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.

  14. 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.

  15. 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…

  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. 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.

  18. 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.

  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. Hydrogen bonded C-H···Y (Y = O, S, Hal) molecular complexes: A natural bond orbital analysis

    NASA Astrophysics Data System (ADS)

    Isaev, A. N.

    2016-03-01

    Hydrogen bonded C-H···Y complexes formed by H2O, H2S molecules, hydrogen halides, and halogen-ions with methane, halogen substituted methane as well as with the C2H2 and NCH molecules were studied at the MP2/aug-cc-pVDZ level. The structure of NBOs corresponding to lone pair of acceptor Y, n Y, and vacant anti-σ-bond C-H of proton donor was analyzed and estimates of second order perturbation energy E(2) characterizing donor-acceptor n Y → σ C-H * charge-transfer interaction were obtained. Computational results for complexes of methane and its halogen substituted derivatives show that for each set of analogous structures, the EnY→σ*C-H (2) energy tends to grow with an increase in the s-component percentage in the lone pair NBO of acceptor Y. Calculations for different C···Y distances show that the equilibrium geometries of complexes lie in the region where the E(2) energy is highest and it changes symbatically with the length of the covalent E-H bond when the R(C···Y) distance is varied. The performed analysis allows us to divide the hydrogen bonded complexes into two groups, depending on the pattern of overlapping for NBOs of the hydrogen bridge.

  1. Ion-pair chromatography coupled to inductively coupled plasma-mass spectrometry (IPC-ICP-MS) as a method for thiomolybdate speciation in natural waters.

    PubMed

    Lohmayer, Regina; Reithmaier, Gloria Maria Susanne; Bura-Nakić, Elvira; Planer-Friedrich, Britta

    2015-03-17

    Molybdenum precipitates preferentially under reducing conditions; therefore, its occurrence in sediment records is used as an indicator of paleoredox conditions. Although thiomolybdates (MoO4-xSx(2-) with x = 1-4) supposedly are necessary intermediates in the process of molybdenum precipitation under anoxic conditions, there is no information about their abundance in natural environments, because of a lack of element-specific methods with sufficiently low detection limits. Here, we optimized ion-pair chromatographic separation for coupling to an inductively coupled plasma-mass spectrometry detector (IPC-ICP-MS). 2-Propanol (10%-25% gradient) replaced the previously used acetonitrile (25%-75%) as the solvent, to reduce the carbon load into the plasma. In synthetic solutions, formation of thiomolybdates was found to occur spontaneously in the presence of excess sulfide and the degree of thiolation was highest at pH 7. Excess hydroxyl led to a transformation of thiomolybdates to molybdate. Under acidic to neutral conditions, precipitation of molybdenum and hydrolysis of tetrathiomolybdate were observed. Flash-freezing was found to be suitable to stabilize tetrathiomolybdate, with <4% transformation over more than two months. High ionic strengths matrices (>2 mM) negatively affected the detection of molybdate, which eluted mainly in the dead volume, but had no negative effect on higher thiolated molybdates. Detection limits were ∼10 nM. With the newly developed IPC-ICP-MS method, thiomolybdates were found to form spontaneously in euxinic marine waters after adding a molybdate spike and occur naturally in sulfidic geothermal waters.

  2. 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.

  3. 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.

  4. Orbit to orbit transportation

    NASA Technical Reports Server (NTRS)

    Bergeron, R. P.

    1980-01-01

    Orbital transfer vehicle propulsion options for SPS include both chemical (COTV) and electrical (EOTV) options. The proposed EOTV construction method is similar to that of the SPS and, by the addition of a transmitting antenna, may serve as a demonstration or precursor satellite option. The results of the studies led to the selection of a single stage COTV for crew and priority cargo transfer. An EOTV concept is favored for cargo transfer because of the more favorable orbital burden factor over chemical systems. The gallium arsenide solar array is favored over the silicon array because of its self annealing characteristics of radiation damage encountered during multiple transitions through the Van Allen radiation belt. Transportation system operations are depicted. A heavy lift launch vehicle (HLLV) delivers cargo and propellants to LEO, which are transferred to a dedicated EOTV by means of an intraorbit transfer vehicle (IOTV) for subsequent transfer to GEO. The space shuttle is used for crew transfer from Earth to LEO. At the LEO base, the crew module is removed from the shuttle cargo bay and mated to a COTV for transfer to GEO. Upon arrival at GEO, the SPS construction cargo is transferred from the EOTV to the SPS construction base by IOTV. Crew consumables and resupply propellants are transported to GEO by the EOTV. Transportation requirements are dominated by the vast quantity of materials to be transported to LEO and GEO.

  5. 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.

  6. Natural bond orbital analysis, electronic structure, non-linear properties and vibrational spectral analysis of L-histidinium bromide monohydrate: a density functional theory.

    PubMed

    Sajan, D; Joseph, Lynnette; Vijayan, N; Karabacak, M

    2011-10-15

    The spectroscopic properties of the crystallized nonlinear optical molecule L-histidinium bromide monohydrate (abbreviated as L-HBr-mh) have been recorded and analyzed by FT-IR, FT-Raman and UV techniques. The equilibrium geometry, vibrational wavenumbers and the first order hyperpolarizability of the crystal were calculated with the help of density functional theory computations. The optimized geometric bond lengths and bond angles obtained by using DFT (B3LYP/6-311++G(d,p)) show good agreement with the experimental data. The complete assignments of fundamental vibrations were performed on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method. The natural bond orbital (NBO) analysis confirms the occurrence of strong intra and intermolecular N-H⋯O hydrogen bonding. Copyright © 2011 Elsevier B.V. All rights reserved.

  7. Orbital Decompression

    MedlinePlus

    ... A Complications of Sinusitis Epistaxis (Nosebleeds) Allergic Rhinitis (Hay Fever) Headaches and Sinus Disease Disorders of Smell & ... DCR) Disclosure Statement Printer Friendly Orbital Decompression John Lee, MD INTRODUCTION Orbital decompression is a surgical procedure ...

  8. 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

  9. 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

  10. A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions

    NASA Astrophysics Data System (ADS)

    van Meer, R.; Gritsenko, O. V.; Baerends, E. J.

    2018-03-01

    Almost all functionals that are currently used in density matrix functional theory have been created by some a priori ansatz that generates approximations to the second-order reduced density matrix (2RDM). In this paper, a more consistent approach is used: we analyze the 2RDMs (in the natural orbital basis) of rather accurate multi-reference configuration interaction expansions for several small molecules (CH4, NH3, H2O, FH, and N2) and use the knowledge gained to generate new functionals. The analysis shows that a geminal-like structure is present in the 2RDMs, even though no geminal theory has been applied from the onset. It is also shown that the leading non-geminal dynamical correlation contributions are generated by a specific set of double excitations. The corresponding determinants give rise to non-JKL (non Coulomb/Exchange like) multipole-multipole dispersive attractive terms between geminals. Due to the proximity of the geminals, these dispersion terms are large and cannot be omitted, proving pure JKL functionals to be essentially deficient. A second correction emerges from the observation that the "normal" geminal-like exchange between geminals breaks down when one breaks multiple bonds. This problem can be fixed by doubling the exchange between bond broken geminals, effectively restoring the often physically correct high-spin configurations on the bond broken fragments. Both of these corrections have been added to the commonly used antisymmetrized product of strongly orthogonal geminals functional. The resulting non-JKL functional Extended Löwdin-Shull Dynamical-Multibond is capable of reproducing complete active space self-consistent field curves, in which one active orbital is used for each valence electron.

  11. 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.

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

    SciTech Connect

    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

  13. 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.

  14. 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

  15. 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.

  16. Pair momentum distribution in Bi2Sr2CaCu2O(8+delta) measured by positron annihilation - Existence and nature of the Fermi surface

    NASA Astrophysics Data System (ADS)

    Chan, L. P.; Lynn, K. G.; Harshman, D. R.; Massidda, S.; Mitzi, D. B.

    1991-09-01

    The first measurement is reported of the position-electron momentum density in superconducting single-crystal Bi2Sr2CaCu2O(8+delta)(Tc roughly 90 K). The observed anisotropy exhibits a twofold (rather than fourfold) symmetry, which is attributed to the superlattice modulation along the b axis of the BiO2 layers. Subtraction of the superlattice contribution also reveals a pair momentum distribution consistent with the CuO2 and BiO2 Fermi surfaces, and in reasonable agreement with the theoretical pair momentum density derived from band theory.

  17. [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.

  18. Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform.

    PubMed

    Nagy, Péter R; Kállay, Mihály

    2017-06-07

    An improved algorithm is presented for the evaluation of the (T) correction as a part of our local natural orbital (LNO) coupled-cluster singles and doubles with perturbative triples [LNO-CCSD(T)] scheme [Z. Rolik et al., J. Chem. Phys. 139, 094105 (2013)]. The new algorithm is an order of magnitude faster than our previous one and removes the bottleneck related to the calculation of the (T) contribution. First, a numerical Laplace transformed expression for the (T) fragment energy is introduced, which requires on average 3 to 4 times fewer floating point operations with negligible compromise in accuracy eliminating the redundancy among the evaluated triples amplitudes. Second, an additional speedup factor of 3 is achieved by the optimization of our canonical (T) algorithm, which is also executed in the local case. These developments can also be integrated into canonical as well as alternative fragmentation-based local CCSD(T) approaches with minor modifications. As it is demonstrated by our benchmark calculations, the evaluation of the new Laplace transformed (T) correction can always be performed if the preceding CCSD iterations are feasible, and the new scheme enables the computation of LNO-CCSD(T) correlation energies with at least triple-zeta quality basis sets for realistic three-dimensional molecules with more than 600 atoms and 12 000 basis functions in a matter of days on a single processor.

  19. Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform

    PubMed Central

    2017-01-01

    An improved algorithm is presented for the evaluation of the (T) correction as a part of our local natural orbital (LNO) coupled-cluster singles and doubles with perturbative triples [LNO-CCSD(T)] scheme [Z. Rolik et al., J. Chem. Phys. 139, 094105 (2013)]. The new algorithm is an order of magnitude faster than our previous one and removes the bottleneck related to the calculation of the (T) contribution. First, a numerical Laplace transformed expression for the (T) fragment energy is introduced, which requires on average 3 to 4 times fewer floating point operations with negligible compromise in accuracy eliminating the redundancy among the evaluated triples amplitudes. Second, an additional speedup factor of 3 is achieved by the optimization of our canonical (T) algorithm, which is also executed in the local case. These developments can also be integrated into canonical as well as alternative fragmentation-based local CCSD(T) approaches with minor modifications. As it is demonstrated by our benchmark calculations, the evaluation of the new Laplace transformed (T) correction can always be performed if the preceding CCSD iterations are feasible, and the new scheme enables the computation of LNO-CCSD(T) correlation energies with at least triple-zeta quality basis sets for realistic three-dimensional molecules with more than 600 atoms and 12 000 basis functions in a matter of days on a single processor. PMID:28576082

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. Orbital cellulitis

    MedlinePlus

    ... Blaser MJ, eds. In: Mandell, Douglas, and Bennett's Principles and Practice of Infectious Diseases . 8th ed. Philadelphia, ... ER. Periorbital and orbital infections. In: Long SS, ed. Principles and Practice of Pediatric Infectious Diseases . 4th ed. ...

  6. 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

  7. 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.

  8. 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.

  9. 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

  10. 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

  11. Orbital Debris

    NASA Technical Reports Server (NTRS)

    Kessler, D. J. (Compiler); Su, S. Y. (Compiler)

    1985-01-01

    Earth orbital debris issues and recommended future activities are discussed. The workshop addressed the areas of environment definition, hazards to spacecraft, and space object management. It concluded that orbital debris is a potential problem for future space operations. However, before recommending any major efforts to control the environment, more data are required. The most significant required data are on the population of debris smaller than 4 cm in diameter. New damage criteria are also required. When these data are obtained, they can be combined with hypervelocity data to evaluate the hazards to future spacecraft. After these hazards are understood, then techniques to control the environment can be evaluated.

  12. Original and future cometary orbits. IV

    SciTech Connect

    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.

  13. 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).

  14. Exploring the Nature of the H[subscript 2] Bond. 1. Using Spreadsheet Calculations to Examine the Valence Bond and Molecular Orbital Methods

    ERIC Educational Resources Information Center

    Halpern, Arthur M.; Glendening, Eric D.

    2013-01-01

    A three-part project for students in physical chemistry, computational chemistry, or independent study is described in which they explore applications of valence bond (VB) and molecular orbital-configuration interaction (MO-CI) treatments of H[subscript 2]. Using a scientific spreadsheet, students construct potential-energy (PE) curves for several…

  15. Eye and orbit ultrasound

    MedlinePlus

    Echography - eye orbit; Ultrasound - eye orbit; Ocular ultrasonography; Orbital ultrasonography ... eye is numbed with medicine (anesthetic drops). The ultrasound wand (transducer) is placed against the front surface ...

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

    SciTech Connect

    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.

  17. 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.

  18. Orbital Winch

    NASA Technical Reports Server (NTRS)

    Hoyt, Robert (Inventor); Slostad, Jeffrey T. (Inventor); Frank, Scott (Inventor); Barnes, Ian M. (Inventor)

    2016-01-01

    Orbital winch having: lower and upper frames; spool having upper and lower flanges with lower flange attached to lower frame; axial tether guide mounted to upper frame; secondary slewing ring coaxial with spool and rotatably mounted to upper frame, wherein secondary slewing ring's outer surface has gearing; upper tether guide mounted to inner surface of secondary slewing ring; linear translation means having upper end mounted to upper frame and lower end mounted on lower frame; primary slewing ring rotatably mounted within linear translation means allowing translation axially between flanges, wherein primary slewing ring's outer surface has gearing; lower tether guide mounted on primary slewing ring's inner surface; pinion rod having upper end mounted to upper frame and lower end mounted to lower frame, wherein pinion rod's teeth engage primary and secondary slewing rings' outer surface teeth; and tether passing through axial, upper, and lower tether guides and winding around spool.

  19. 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.

  20. Nature

    NASA Astrophysics Data System (ADS)

    Heinhorst, Sabine; Cannon, Gordon

    1997-01-01

    The fact that two of the original articles by this year's Nobel laureates were published in Nature bears witness to the pivotal role of this journal in documenting pioneering discoveries in all areas of science. The prize for Physiology or Medicine was awarded to immunologists Peter C. Doherty (University of Tennessee) and Rolf M. Zinkernagel (University of Zurich, Switzerland), honoring work that, in the 1970s, laid the foundation for our current understanding of the way in which our immune system differentiates between healthy cells and virus-infected ones that are targeted for destruction (p 465 in the October 10 issue of vol. 383). Three researchers share the Chemistry award for their discovery of C60 buckminsterfullerenes. The work by Robert Curl, Richard Smalley (both at Rice University), and Harry Kroto (University of Sussex, UK) has led to a burst of new approaches to materials development and in carbon chemistry (p 561 of the October 17 issue of vol. 383). This year's Nobel prize in physics went to three U.S. researchers, Douglas Osheroff (Stanford University) and David M. Lee and Robert C. Richardson (Cornell University), who were honored for their work on superfluidity, a frictionless liquid state, of supercooled 3He (p 562 of the October 17 issue of vol. 383).

  1. 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.

  2. 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.

  3. Nature and origin of the hematite-bearing plains of Terra Meridiani based on analyses of orbital and Mars Exploration rover data sets

    USGS Publications Warehouse

    Arvidson, R. E.; Poulet, F.; Morris, R.V.; Bibring, J.-P.; Bell, J.F.; Squyres, S. W.; Christensen, P.R.; Bellucci, G.; Gondet, B.; Ehlmann, B.L.; Farrand, W. H.; Fergason, R.L.; Golombeck, M.; Griffes, J.L.; Grotzinger, J.; Guinness, E.A.; Herkenhoff, K. E.; Johnson, J. R.; Klingelhofer, G.; Langevin, Y.; Ming, D.; Seelos, K.; Sullivan, R.J.; Ward, J.G.; Wiseman, S.M.; Wolff, M.J.

    2006-01-01

    The ???5 km of traverses and observations completed by the Opportunity rover from Endurance crater to the Fruitbasket outcrop show that the Meridiani plains consist of sulfate-rich sedimentary rocks that are largely covered by poorly-sorted basaltic aeolian sands and a lag of granule-sized hematitic concretions. Orbital reflectance spectra obtained by Mars Express OMEGA over this region are dominated by pyroxene, plagioclase feldspar, crystalline hematite (i.e., concretions), and nano-phase iron oxide dust signatures, consistent with Pancam and Mini-TES observations. Mo??ssbauer Spectrometer observations indicate more olivine than observed with the other instruments, consistent with preferential optical obscuration of olivine features in mixtures with pyroxene and dust. Orbital data covering bright plains located several kilometers to the south of the landing site expose a smaller areal abundance of hematite, more dust, and a larger areal extent of outcrop compared to plains proximal to the landing site. Low-albedo, low-thermal-inertia, windswept plains located several hundred kilometers to the south of the landing site are predicted from OMEGA data to have more hematite and fine-grained olivine grains exposed as compared to the landing site. Low calcium pyroxene dominates spectral signatures from the cratered highlands to the south of Opportunity. A regional-scale model is presented for the formation of the plains explored by Opportunity, based on a rising ground water table late in the Noachian Era that trapped and altered local materials and aeolian basaltic sands. Cessation of this aqueous process led to dominance of aeolian processes and formation of the current configuration of the plains. Copyright 2006 by the American Geophysical Union.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. Vortex pairs on surfaces

    SciTech Connect

    Koiller, Jair; Boatto, Stefanella

    2009-05-06

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

  10. Relaxing in Pairs.

    ERIC Educational Resources Information Center

    Foot, Michael C.

    1999-01-01

    Discusses the practice of paired testing of oral languages, noting the lack of published research evidence and of results from the monitoring of these tests to support their introduction into wider use. Questions whether paired testing is more effective than, and a valid alternative to, the more traditional candidate/examiner model. (SM)

  11. Cooper Pairs in Insulators?!

    ScienceCinema

    James Valles

    2017-12-09

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

  12. 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

  13. 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.

  14. 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

  15. 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.

  16. 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

  17. 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.

  18. Quantum computational studies, spectroscopic (FT-IR, FT-Raman and UV-Vis) profiling, natural hybrid orbital and molecular docking analysis on 2,4 Dibromoaniline

    NASA Astrophysics Data System (ADS)

    Abraham, Christina Susan; Prasana, Johanan Christian; Muthu, S.; Rizwana B, Fathima; Raja, M.

    2018-05-01

    The research exploration will comprise of investigating the molecular structure, vibrational assignments, bonding and anti-bonding nature, nonlinear optical, electronic and thermodynamic nature of the molecule. The research is conducted at two levels: First level employs the spectroscopic techniques - FT-IR, FT-Raman and UV-Vis characterizing techniques; at second level the data attained experimentally is analyzed through theoretical methods using and Density Function Theories which involves the basic principle of solving the Schrodinger equation for many body systems. A comparison is drawn between the two levels and discussed. The probability of the title molecule being bio-active theoretically proved by the electrophilicity index leads to further property analyzes of the molecule. The target molecule is found to fit well with Centromere associated protein inhibitor using molecular docking techniques. Higher basis set 6-311++G(d,p) is used to attain results more concurrent to the experimental data. The results of the organic amine 2, 4 Dibromoaniline is analyzed and discussed.

  19. 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

  20. 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.

  1. Stereo Pair, Pasadena, California

    NASA Image and Video Library

    2000-03-10

    This stereoscopic image pair is a perspective view that shows the western part of the city of Pasadena, California, looking north toward the San Gabriel Mountains. Portions of the cities of Altadena and La Canada Flintridge are also shown.

  2. Stereo Pair, Honolulu, Oahu

    NASA Image and Video Library

    2000-03-10

    Honolulu, on the island of Oahu, is a large and growing urban area. This stereoscopic image pair, combining a Landsat image with topography measured by NASA Shuttle Radar Topography Mission SRTM, shows how topography controls the urban pattern.

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. [Paired kidneys in transplant].

    PubMed

    Regueiro López, Juan C; Leva Vallejo, Manuel; Prieto Castro, Rafael; Anglada Curado, Francisco; Vela Jiménez, Francisco; Ruiz García, Jesús

    2009-02-01

    Many factors affect the graft and patient survival on the renal transplant outcome. These factors depend so much of the recipient and donor. We accomplished a study trying to circumvent factors that depend on the donor. We checked the paired kidneys originating of a same donor cadaver. We examined the risk factors in the evolution and follow-up in 278 couples of kidney transplant. We describe their differences, significance, the graft and patient survival, their functionality in 3 and 5 years and the risk factors implicated in their function. We study immunogenic and no immunogenic variables, trying to explain the inferior results in the grafts that are established secondly. We regroup the paired kidneys in those that they did not show paired initial function within the same couple. The results yield a discreet deterioration in the graft and patient survival for second group establish, superior creatinina concentration, without obtaining statistical significance. The Cox regression study establishes the early rejection (inferior to three months) and DR incompatibility values like risk factors. This model of paired kidneys would be able to get close to best-suited form for risk factors analysis in kidney transplant from cadaver donors, if more patients examine themselves in the same way. The paired kidneys originating from the same donor do not show the same function in spite of sharing the same conditions of the donor and perioperative management.

  14. Orbiting Carbon Observatory

    NASA Technical Reports Server (NTRS)

    Miller, Charles E.

    2005-01-01

    Human impact on the environment has produced measurable changes in the geological record since the late 1700s. Anthropogenic emissions of CO2 today may cause the global climate to depart for its natural behavior for many millenia. CO2 is the primary anthropogenic driver of climate change. The Orbiting Carbon Observatory goals are to help collect measurements of atmospheric CO2, answering questions such as why the atmospheric CO2 buildup varies annually, the roles of the oceans and land ecosystems in absorbing CO2, the roles of North American and Eurasian sinks and how these carbon sinks respond to climate change. The present carbon cycle, CO2 variability, and climate uncertainties due atmospheric CO2 uncertainties are highlighted in this presentation.

  15. Pair Past the Rings

    NASA Image and Video Library

    2010-03-04

    Two of Saturn moons orbit beyond four of the planet rings in this image from NASA Cassini spacecraft. From the top right of the picture are the C, B , A, and thin F rings, the small moon Pandora and, near the middle of the image, the moon Enceladus.

  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. 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.

  18. 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.

  19. 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.

  20. 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.

  1. Traumatic orbital CSF leak

    PubMed Central

    Borumandi, Farzad

    2013-01-01

    Compared to the cerebrospinalfluid (CSF) leak through the nose and ear, the orbital CSF leak is a rare and underreported condition following head trauma. We present the case of a 49-year-old woman with oedematous eyelid swelling and ecchymosis after a seemingly trivial fall onto the right orbit. Apart from the above, she was clinically unremarkable. The CT scan revealed a minimally displaced fracture of the orbital roof with no emphysema or intracranial bleeding. The fractured orbital roof in combination with the oedematous eyelid swelling raised the suspicion for orbital CSF leak. The MRI of the neurocranium demonstrated a small-sized CSF fistula extending from the anterior cranial fossa to the right orbit. The patient was treated conservatively and the lid swelling resolved completely after 5 days. Although rare, orbital CSF leak needs to be included in the differential diagnosis of periorbital swelling following orbital trauma. PMID:24323381

  2. SPECTROSCOPIC ORBITS FOR 15 LATE-TYPE STARS

    SciTech Connect

    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

  3. 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.

  4. Preliminary orbital parallax catalog

    NASA Technical Reports Server (NTRS)

    Halliwell, M.

    1981-01-01

    The study is undertaken to calibrate the more reliable parallaxes derived from a comparison of visual and spectroscopic orbits and to encourage observational studies of other promising binaries. The methodological techniques used in computing orbital parallaxes are analyzed. Tables summarizing orbital data and derived system properties are then given. Also given is a series of detailed discussions of the 71 individual systems included in the tables. Data are listed for 57 other systems which are considered promising candidates for eventual orbital parallax determination.

  5. Two Pairs of Storms

    NASA Image and Video Library

    2004-06-04

    Two pairs of dark spots, or storms, in Saturn atmosphere squeeze past each other as they dance around the planet. In this group of four storms, the top left and lower right storms are fringed with white clouds as seen by NASA Cassini spacecraft.

  6. Five Equivalent d Orbitals

    ERIC Educational Resources Information Center

    Pauling, Linus; McClure, Vance

    1970-01-01

    Amplifies and clarifies a previous paper on pyramidal d orbitals. Discusses two sets of pyramid d orbitals with respect to their maximum bond strength and their symmetry. Authors described the oblate and prolate pentagonal antiprisms arising from the two sets of five equivalent d orbitals. (RR)

  7. Introducing Earth's Orbital Eccentricity

    ERIC Educational Resources Information Center

    Oostra, Benjamin

    2015-01-01

    Most students know that planetary orbits, including Earth's, are elliptical; that is Kepler's first law, and it is found in many science textbooks. But quite a few are mistaken about the details, thinking that the orbit is very eccentric, or that this effect is somehow responsible for the seasons. In fact, the Earth's orbital eccentricity is…

  8. 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.

  9. 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.

  10. 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.

  11. Space station orbit maintenance

    NASA Technical Reports Server (NTRS)

    Kaplan, D. I.; Jones, R. M.

    1983-01-01

    The orbit maintenance problem is examined for two low-earth-orbiting space station concepts - the large, manned Space Operations Center (SOC) and the smaller, unmanned Science and Applications Space Platform (SASP). Atmospheric drag forces are calculated, and circular orbit altitudes are selected to assure a 90 day decay period in the event of catastrophic propulsion system failure. Several thrusting strategies for orbit maintenance are discussed. Various chemical and electric propulsion systems for orbit maintenance are compared on the basis of propellant resupply requirements, power requirements, Shuttle launch costs, and technology readiness.

  12. 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.

  13. Disent to Pairing Mechanism

    NASA Astrophysics Data System (ADS)

    Cheng, Kaijia; Cheng, Shuyu

    Up to now, the pairing mechanism is regarded as the rule of thumb criterion of an acceptable theory of superconductivity. It is generally held as a taboo for any theory which is not founded on this basis. However this is not true and it misleads the direction for the theoretical research for both the high and low temperature regions and eventually delays the progress in practice. It is now the time to clear up the situation.

  14. THREE PLANETS ORBITING WOLF 1061

    SciTech Connect

    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

  15. 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.

  16. 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.

  17. 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.

  18. Marned Orbital Systems Concept

    NASA Technical Reports Server (NTRS)

    1975-01-01

    Despite the indefinite postponement of the Space Station in 1972, Marshall Space Flight Center (MSFC) continued to look to the future for some type of orbital facility during the post-Skylab years. In 1975, the MSFC directed a contract with the McDonnel Douglas Aerospace Company for the Manned Orbital Systems Concept (MOSC) study. This 9-month effort examined the requirements for, and defined a cost-effective orbital facility concept capable of, supporting extended manned missions in Earth orbit. The capabilities of this concept exceeded those envisioned for the Space Shuttle and Spacelab, both of which were limited by a 7 to 30-day orbital time constraint. The MOSC's initial operating capability was to be achieved in late 1984. A crew of four would man a four-module configuration. During its five-year orbital life the MOSC would have the capability to evolve into a larger 12-to-24-man facility. This is an artist's concept of MOSC.

  19. 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.

  20. 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

  1. Saturn orbiter mission study

    NASA Technical Reports Server (NTRS)

    Wells, W. C.; Sullivan, R. J.

    1973-01-01

    A preliminary analysis of the important aspects of missions orbiting the planet Saturn is provided. Orbital missions to Saturn is given serious consideration for the 1980's, or after flybys by Pioneer 10/G and Mariner Jupiter-Saturn 1977. An attempt is made to characterize Saturn orbiters in detail so that comparisons with Jupiter missions can be made. The scientific objectives of Saturn exploration are grouped under four topics: (1) the atmosphere, (2) the magnetosphere, (3) the rings, and (4) the satellites.

  2. Pictorial essay: Orbital tuberculosis

    PubMed Central

    Narula, Mahender K; Chaudhary, Vikas; Baruah, Dhiraj; Kathuria, Manoj; Anand, Rama

    2010-01-01

    Tuberculosis of the orbit is rare, even in places where tuberculosis is endemic. The disease may involve soft tissue, the lacrimal gland, or the periosteum or bones of the orbital wall. Intracranial extension, in the form of extradural abscess, and infratemporal fossa extension has been described. This pictorial essay illustrates the imaging findings of nine histopathologically confirmed cases of orbital tuberculosis. All these patients responded to antituberculous treatment. PMID:20351984

  3. Neonatal orbital abscess

    PubMed Central

    Al-Salem, Khalil M; Alsarayra, Fawaz A; Somkawar, Areej R

    2014-01-01

    Orbital complications due to ethmoiditis are rare in neonates. A case of orbital abscess due to acute ethmoiditis in a 28-day-old girl is presented. A Successful outcome was achieved following antimicrobial therapy alone; spontaneous drainage of the abscess occurred from the lower lid without the need for surgery. From this case report, we intend to emphasize on eyelid retraction as a sign of neonatal orbital abscess, and to review all the available literature of similar cases. PMID:24008806

  4. Orbital Debris: A Chronology

    NASA Technical Reports Server (NTRS)

    Portree, Davis S. F. (Editor); Loftus, Joseph P., Jr. (Editor)

    1999-01-01

    This chronology covers the 37-year history of orbital debris concerns. It tracks orbital debris hazard creation, research, observation, experimentation, management, mitigation, protection, and policy. Included are debris-producing, events; U.N. orbital debris treaties, Space Shuttle and space station orbital debris issues; ASAT tests; milestones in theory and modeling; uncontrolled reentries; detection system development; shielding development; geosynchronous debris issues, including reboost policies: returned surfaces studies, seminar papers reports, conferences, and studies; the increasing effect of space activities on astronomy; and growing international awareness of the near-Earth environment.

  5. Family of Orbiters

    NASA Technical Reports Server (NTRS)

    2008-01-01

    This image shows the paths of three spacecraft currently in orbit around Mars, as well as the path by which NASA's Phoenix Mars Lander will approach and land on the planet. The t-shaped crosses show where the orbiters will be when Phoenix enters the atmosphere, while the x-shaped crosses show their location at landing time.

    All three orbiters, NASA's Mars Reconnaissance Orbiter, NASA's Mars Odyssey and the European Space Agency's Mars Express, will be monitoring Phoenix during the final steps of its journey to the Red Planet.

    Phoenix will land just south of Mars's north polar ice cap.

  6. 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…

  7. Thermal Pairing in Nuclei

    NASA Astrophysics Data System (ADS)

    Dang, Nguyen Dinh

    2008-04-01

    The modified Hartree-Fock-Bogoliubov (MHFB) theory at finite temperature is derived for finite nuclei.1 In the limit of constant pairing parameter, the MHFB theory yields the modified BCS (MBCS) theory.2 These are the microscopic theories that can describe the crossover region at temperature T around the critical value Tc of the BCS superfluid-normal (SN) phase transition. By requiring the unitarity conservation of the particle-density matrix, the derivation of these theories is achieved by constructing a modified quasiparticle density matrix, where the fluctuation of the quasiparticle number is microscopically built in. This matrix can be directly obtained from the usual quasiparticle-density matrix by applying the secondary Bogoliubov transformation, which includes the quasiparticle occupation number. The calculations of the thermal pairing gap, total energy, heat capacity, quasiparticle and pairing correlation functions were carried out within MBCS theory for the Richardson model3 as well as realistic single-particle spectra. The Richardson model under consideration has varying Ω equidistant levels and N particles with a level distant equal to 1 MeV. It is shown that the limitation of the configuration space sets a limiting temperature TM up to which the MBCS theory can be applied. Enlarging the space in the half-filled case (Ω = N) by one valence level (Ω = N + 1) extends TM to a much higher temperature so that the predictions by the MBCS theory can be compared directly with the exact results up to T ~ 4 - 5 MeV even for small N. The MBCS gap does not collapse, but decreases monotonously with increasing T. The total energy and heat capacity predicted by the MBCS theory are closer to the exact results than those predicted by the BCS theory, especially in the region of the SN phase transition predicted within the BCS theory. The discontinuity in the BCS heat capacity at the critical temperature Tc is smoothed out within the MBCS theory, especially for small N

  8. 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.

  9. 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.

  10. Orbiting Rainbows Simulation

    NASA Image and Video Library

    2015-04-22

    This simulated image shows how a cloud of glitter in geostationary orbit would be illuminated and controlled by two laser beams. As the cloud orbits Earth, grains scatter the sun's light at different angles like many tiny prisms, similar to how rainbows are produced from light being dispersed by water droplets. That is why the project concept is called "Orbiting Rainbows." The cloud functions like a reflective surface, allowing the exoplanet (displayed in the bottom right) to be imaged. The orbit path is shown in the top right. On the bottom left, Earth's image is seen behind the cloud. To image an exoplanet, the cloud would need to have a diameter of nearly 98 feet (30 meters). This simulation confines the cloud to a 3.3 x 3.3 x 3.3 foot volume (1 x 1 x 1 meter volume) to simplify the computations. The elements of the orbiting telescope are not to scale. Orbiting Rainbows is currently in Phase II development through the NASA Innovative Advanced Concepts (NIAC) Program. It was one of five technology proposals chosen for continued study in 2014. In the current phase, Orbiting Rainbows researchers are conducting small-scale ground experiments to demonstrate how granular materials can be manipulated using lasers and simulations of how the imaging system would behave in orbit. http://photojournal.jpl.nasa.gov/catalog/PIA19318

  11. Orbiting Carbon Observatory Briefing

    NASA Image and Video Library

    2009-01-29

    Anna Michalak, an Orbiting Carbon Observatory science team member from the University of Michigan, Ann Arbor, speaks during a media briefing to discuss the upcoming Orbiting Carbon Observatory mission, the first NASA spacecraft dedicated to studying carbon dioxide, Thursday, Jan. 29, 2009, at NASA Headquarters in Washington. Photo Credit: (NASA/Paul E. Alers)

  12. Satellite orbit computation methods

    NASA Technical Reports Server (NTRS)

    1977-01-01

    Mathematical and algorithmical techniques for solution of problems in satellite dynamics were developed, along with solutions to satellite orbit motion. Dynamical analysis of shuttle on-orbit operations were conducted. Computer software routines for use in shuttle mission planning were developed and analyzed, while mathematical models of atmospheric density were formulated.

  13. Update on orbital reconstruction.

    PubMed

    Chen, Chien-Tzung; Chen, Yu-Ray

    2010-08-01

    Orbital trauma is common and frequently complicated by ocular injuries. The recent literature on orbital fracture is analyzed with emphasis on epidemiological data assessment, surgical timing, method of approach and reconstruction materials. Computed tomographic (CT) scan has become a routine evaluation tool for orbital trauma, and mobile CT can be applied intraoperatively if necessary. Concomitant serious ocular injury should be carefully evaluated preoperatively. Patients presenting with nonresolving oculocardiac reflex, 'white-eyed' blowout fracture, or diplopia with a positive forced duction test and CT evidence of orbital tissue entrapment require early surgical repair. Otherwise, enophthalmos can be corrected by late surgery with a similar outcome to early surgery. The use of an endoscope-assisted approach for orbital reconstruction continues to grow, offering an alternative method. Advances in alloplastic materials have improved surgical outcome and shortened operating time. In this review of modern orbital reconstruction, several controversial issues such as surgical indication, surgical timing, method of approach and choice of reconstruction material are discussed. Preoperative fine-cut CT image and thorough ophthalmologic examination are key elements to determine surgical indications. The choice of surgical approach and reconstruction materials much depends on the surgeon's experience and the reconstruction area. Prefabricated alloplastic implants together with image software and stereolithographic models are significant advances that help to more accurately reconstruct the traumatized orbit. The recent evolution of orbit reconstruction improves functional and aesthetic results and minimizes surgical complications.

  14. Thermodynamics of pairing in mesoscopic systems

    SciTech Connect

    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

  15. Orbital endoscopic surgery

    PubMed Central

    Selva, Dinesh

    2008-01-01

    Minimally invasive ″keyhole″ surgery performed using endoscopic visualization is increasing in popularity and is being used by almost all surgical subspecialties. Within ophthalmology, however, endoscopic surgery is not commonly performed and there is little literature on the use of the endoscope in orbital surgery. Transorbital use of the endoscope can greatly aid in visualizing orbital roof lesions and minimizing the need for bone removal. The endoscope is also useful during decompression procedures and as a teaching aid to train orbital surgeons. In this article, we review the history of endoscopic orbital surgery and provide an overview of the technique and describe situations where the endoscope can act as a useful adjunct to orbital surgery. PMID:18158397

  16. Mars Climate Orbiter

    NASA Technical Reports Server (NTRS)

    1998-01-01

    The purpose of this mission is to study the climate history and the water distribution of Mars. Beautiful panoramic views of the shuttle on the launch pad, engine ignition, Rocket launch, and the separation and burnout of the Solid Rocket Boosters are shown. The footage also includes an animation of the mission. Detailed views of the path that the Orbiter traversed were shown. Once the Orbiter lands on the surface of Mars, it will dig a six to eight inch hole and collect samples from the planets' surface. The animation also included the prospective return of the Orbiter to Earth over the desert of Utah. The remote sensor on the Orbiter helps in finding the exact location of the Orbiter so that scientists may collect the sample and analyze it.

  17. Orbital debris issues

    NASA Technical Reports Server (NTRS)

    Kessler, D. J.

    1985-01-01

    Man-made orbital debris, identified as a potential hazard to future space activities, is grouped into size categories. At least 79 satellites have broken up in orbit to date and, in combination with exploded rocket casings and antisatellite debris, threaten 10 km/sec collisions with other orbiting platforms. Only 5 percent of the debris is connected to payloads. The total population of orbiting objects over 4 cm in diameter could number as high as 15,000, and at 1 cm in diameter could be 32,000, based on NASA and NORAD studies. NASA has initiated the 10 yr Space Debris Assessment Program to characterize the hazards of orbiting debris, the potential damage to typical spacecraft components, and to identify means of controlling the damage.

  18. Multiprocessor switch with selective pairing

    DOEpatents

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

    2014-03-11

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

  19. 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.

  20. Ice-based altitude distribution of natural radiation annual exposure rate in the Antarctica zone over the latitude range 69 degrees S-77 degrees S using a pair-filter thermoluminescence method.

    PubMed

    Nakajima, T; Kamiyama, T; Fujii, Y; Motoyama, H; Esumi, S

    1995-12-01

    Both ice-based altitude distributions of natural ionizing radiation exposure and the quasi-effective energy of natural radiation over Antartica over the latitude range 69 degrees S - 77 degrees S during approx. 500 days were measured using thermoluminescent dosimeters. The results shows that dependence on altitude above sea level of the exposure rate increases by almost three-fold with each increase of 2000 m of altitude, thus deviating from the general rule stating that the exposure rate should double with each 2000 m. Although the exposure rate shows a dependence on altitude, altitude dependence of the quasi-effective energy of natural radiation over Antartica is not observed. In the present study it is observed that natural radiation occurring over the ice base of Antartica consists mainly of cosmic rays.

  1. Experimental many-pairs nonlocality

    NASA Astrophysics Data System (ADS)

    Poh, Hou Shun; Cerè, Alessandro; Bancal, Jean-Daniel; Cai, Yu; Sangouard, Nicolas; Scarani, Valerio; Kurtsiefer, Christian

    2017-08-01

    Collective measurements on large quantum systems together with a majority voting strategy can lead to a violation of the Clauser-Horne-Shimony-Holt Bell inequality. In the presence of many entangled pairs, this violation decreases quickly with the number of pairs and vanishes for some critical pair number that is a function of the noise present in the system. Here we show that a different binning strategy can lead to a more substantial Bell violation when the noise is sufficiently small. Given the relation between the critical pair number and the source noise, we then present an experiment where the critical pair number is used to quantify the quality of a high visibility photon pair source. Our results demonstrate nonlocal correlations using collective measurements operating on clusters of more than 40 photon pairs.

  2. Stereo Pair, Honolulu, Oahu

    NASA Technical Reports Server (NTRS)

    2000-01-01

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

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

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

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

  3. 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.

  4. 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.

  5. Orbital-2 Mission

    NASA Image and Video Library

    2014-07-12

    The full Moon sets in the fog behind the Orbital Sciences Corporation Antares rocket, with the Cygnus spacecraft onboard, Saturday, July 12, 2014, launch Pad-0A, NASA's Wallops Flight Facility in Virginia. The Antares will launch with the Cygnus spacecraft filled with over 3,000 pounds of supplies for the International Space Station, including science experiments, experiment hardware, spare parts, and crew provisions. The Orbital-2 mission is Orbital Sciences' second contracted cargo delivery flight to the space station for NASA. Photo Credit: (NASA/Bill Ingalls)

  6. Orbital-2 Mission

    NASA Image and Video Library

    2014-07-11

    The Orbital Sciences Corporation Antares rocket, with the Cygnus spacecraft onboard, is seen on launch Pad-0A, Friday, July 11, 2014, at NASA's Wallops Flight Facility in Virginia. The Antares will launch with the Cygnus spacecraft filled with over 3,000 pounds of supplies for the International Space Station, including science experiments, experiment hardware, spare parts, and crew provisions. The Orbital-2 mission is Orbital Sciences' second contracted cargo delivery flight to the space station for NASA. Photo Credit: (NASA/Bill Ingalls)

  7. Orbital-2 Mission

    NASA Image and Video Library

    2014-07-12

    The Orbital Sciences Corporation Antares rocket, with the Cygnus spacecraft onboard, is seen, Saturday, July 12, 2014, at launch Pad-0A of NASA's Wallops Flight Facility in Virginia. The Antares will launch with the Cygnus spacecraft filled with over 3,000 pounds of supplies for the International Space Station, including science experiments, experiment hardware, spare parts, and crew provisions. The Orbital-2 mission is Orbital Sciences' second contracted cargo delivery flight to the space station for NASA. Photo Credit: (NASA/Bill Ingalls)

  8. Orbital-2 Mission

    NASA Image and Video Library

    2014-07-12

    The Orbital Sciences Corporation Antares rocket, with the Cygnus spacecraft onboard, is seen during sunrise, Saturday, July 12, 2014, at launch Pad-0A of NASA's Wallops Flight Facility in Virginia. The Antares will launch with the Cygnus spacecraft filled with over 3,000 pounds of supplies for the International Space Station, including science experiments, experiment hardware, spare parts, and crew provisions. The Orbital-2 mission is Orbital Sciences' second contracted cargo delivery flight to the space station for NASA. Photo Credit: (NASA/Bill Ingalls)

  9. Perturbations of Cometary Orbits

    DTIC Science & Technology

    1961-01-01

    calculations are based on the energy changes as the comet describes a parabolic orbit. If E is the energy per unit mass of a comet in describing a...parabolic orbit about the sun, then the change in the energy bE for a complete orbit will be calculated. A sufficient gain in energy to make E positive...change in energy we will assume that Jupiter is the only planet that has a significant effect. S \\ G it FIGURRE 1 Comet in relation to sun and Jupiter. The

  10. Discovery Orbiter Major Modifications

    NASA Image and Video Library

    2003-08-27

    During power-up of the orbiter Discovery in the Orbiter Processing Facility, a technician moves a circuit reset on the cockpit console. Discovery has been undergoing Orbiter Major Modifications in the past year, ranging from wiring, control panels and black boxes to gaseous and fluid systems tubing and components. These systems were deserviced, disassembled, inspected, modified, reassembled, checked out and reserviced, as were most other systems onboard. The work includes the installation of the Multifunction Electronic Display Subsystem (MEDS) - a state-of-the-art “glass cockpit.”

  11. Orbit Determination Issues for Libration Point Orbits

    NASA Technical Reports Server (NTRS)

    Beckman, Mark; Bauer, Frank (Technical Monitor)

    2002-01-01

    Libration point mission designers require knowledge of orbital accuracy for a variety of analyses including station keeping control strategies, transfer trajectory design, and formation and constellation control. Past publications have detailed orbit determination (OD) results from individual libration point missions. This paper collects both published and unpublished results from four previous libration point missions (ISEE (International Sun-Earth Explorer) -3, SOHO (Solar and Heliospheric Observatory), ACE (Advanced Composition Explorer) and MAP (Microwave Anisotropy Probe)) supported by Goddard Space Flight Center's Guidance, Navigation & Control Center. The results of those missions are presented along with OD issues specific to each mission. All past missions have been limited to ground based tracking through NASA ground sites using standard range and Doppler measurement types. Advanced technology is enabling other OD options including onboard navigation using seaboard attitude sensors and the use of the Very Long Baseline Interferometry (VLBI) measurement Delta Differenced One-Way Range (DDOR). Both options potentially enable missions to reduce coherent dedicated tracking passes while maintaining orbital accuracy. With the increased projected loading of the DSN (Deep Space Network), missions must find alternatives to the standard OD scenario.

  12. 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.

  13. Orbiter thermal protection system

    NASA Technical Reports Server (NTRS)

    Dotts, R. L.; Curry, D. M.; Tillian, D. J.

    1985-01-01

    The major material and design challenges associated with the orbiter thermal protection system (TPS), the various TPS materials that are used, the different design approaches associated with each of the materials, and the performance during the flight test program are described. The first five flights of the Orbiter Columbia and the initial flight of the Orbiter Challenger provided the data necessary to verify the TPS thermal performance, structural integrity, and reusability. The flight performance characteristics of each TPS material are discussed, based on postflight inspections and postflight interpretation of the flight instrumentation data. Flights to date indicate that the thermal and structural design requirements for the orbiter TPS are met and that the overall performance is outstanding.

  14. Congenital orbital teratoma.

    PubMed

    Aiyub, Shereen; Chan, Wengonn; Szetu, John; Sullivan, Laurence J; Pater, John; Cooper, Peter; Selva, Dinesh

    2013-12-01

    We present a case of mature congenital orbital teratoma managed with lid-sparing exenteration and dermis fat graft. This is a case report on the management of congenital orbital teratoma. A full-term baby was born in Fiji with prolapsed right globe which was surrounded by a nonpulsatile, cystic mass. Clinical and imaging features were consistent with congenital orbital teratoma. Due to limited surgical expertise, the patient was transferred to Adelaide, Australia for further management. The patient underwent a lid-sparing exenteration with frozen section control of the apical margin. A dermis fat graft from the groin was placed beneath the lid skin to provide volume. Histopathology revealed mature tissues from each of the three germ cell layers which confirmed the diagnosis of mature teratoma. We describe the successful use of demis fat graft in socket reconstruction following lid-sparing exenteration for congenital orbital teratoma.

  15. Congenital orbital teratoma

    PubMed Central

    Aiyub, Shereen; Chan, Weng Onn; Szetu, John; Sullivan, Laurence J; Pater, John; Cooper, Peter; Selva, Dinesh

    2013-01-01

    We present a case of mature congenital orbital teratoma managed with lid-sparing exenteration and dermis fat graft. This is a case report on the management of congenital orbital teratoma. A full-term baby was born in Fiji with prolapsed right globe which was surrounded by a nonpulsatile, cystic mass. Clinical and imaging features were consistent with congenital orbital teratoma. Due to limited surgical expertise, the patient was transferred to Adelaide, Australia for further management. The patient underwent a lid-sparing exenteration with frozen section control of the apical margin. A dermis fat graft from the groin was placed beneath the lid skin to provide volume. Histopathology revealed mature tissues from each of the three germ cell layers which confirmed the diagnosis of mature teratoma. We describe the successful use of demis fat graft in socket reconstruction following lid-sparing exenteration for congenital orbital teratoma. PMID:23619505

  16. Orbiter entry aerothermodynamics

    NASA Technical Reports Server (NTRS)

    Ried, R. C.

    1985-01-01

    The challenge in the definition of the entry aerothermodynamic environment arising from the challenge of a reliable and reusable Orbiter is reviewed in light of the existing technology. Select problems pertinent to the orbiter development are discussed with reference to comprehensive treatments. These problems include boundary layer transition, leeward-side heating, shock/shock interaction scaling, tile gap heating, and nonequilibrium effects such as surface catalysis. Sample measurements obtained from test flights of the Orbiter are presented with comparison to preflight expectations. Numerical and wind tunnel simulations gave efficient information for defining the entry environment and an adequate level of preflight confidence. The high quality flight data provide an opportunity to refine the operational capability of the orbiter and serve as a benchmark both for the development of aerothermodynamic technology and for use in meeting future entry heating challenges.

  17. Habitability study shuttle orbiter

    NASA Technical Reports Server (NTRS)

    1973-01-01

    Habitability design concepts for the Shuttle Orbiter Program are provided for MSC. A variety of creative solutions for the stated tasks are presented. Sketches, mock-ups, mechanicals and models are included for establishing a foundation for future development.

  18. Habitability study shuttle orbiter

    NASA Technical Reports Server (NTRS)

    1972-01-01

    Studies of the habitability of the space shuttle orbiter are briefly summarized. Selected illustrations and descriptions are presented for: crew compartment, hygiene facilities, food system and galley, and storage systems.

  19. Management of Orbital Diseases.

    PubMed

    Betbeze, Caroline

    2015-09-01

    Orbital diseases are common in dogs and cats and can present on emergency due to the acute onset of many of these issues. The difficulty with diagnosis and therapy of orbital disease is that the location of the problem is not readily visible. The focus of this article is on recognizing classical clinical presentations of orbital disease, which are typically exophthalmos, strabismus, enophthalmos, proptosis, or intraconal swelling. After the orbital disease is confirmed, certain characteristics such as pain on opening the mouth, acute vs. chronic swelling, and involvement of nearby structures can be helpful in determining the underlying cause. Abscesses, cellulitis, sialoceles, neoplasia (primary or secondary), foreign bodies, and immune-mediated diseases can all lead to exophthalmos, but it can be difficult to determine the cause of disease without advanced diagnostic imaging, such as ultrasound, magnetic resonance imaging, or computed tomography scan. Fine-needle aspirates and biopsies of the retrobulbar space can also be performed. Published by Elsevier Inc.

  20. Tethered orbital refueling study

    NASA Technical Reports Server (NTRS)

    Fester, Dale A.; Rudolph, L. Kevin; Kiefel, Erlinda R.; Abbott, Peter W.; Grossrode, Pat

    1986-01-01

    One of the major applications of the space station will be to act as a refueling depot for cryogenic-fueled space-based orbital transfer vehicles (OTV), Earth-storable fueled orbit maneuvering vehicles, and refurbishable satellite spacecraft using hydrazine. One alternative for fuel storage at the space station is a tethered orbital refueling facility (TORF), separated from the space station by a sufficient distance to induce a gravity gradient force that settles the stored fuels. The technical feasibility was examined with the primary focus on the refueling of LO2/LH2 orbital transfer vehicles. Also examined was the tethered facility on the space station. It was compared to a zero-gravity facility. A tethered refueling facility should be considered as a viable alternative to a zero-gravity facility if the zero-gravity fluid transfer technology, such as the propellant management device and no vent fill, proves to be difficult to develop with the required performance.

  1. Aerobraking orbital transfer vehicle

    NASA Technical Reports Server (NTRS)

    Scott, Carl D. (Inventor); Nagy, Kornel (Inventor); Roberts, Barney B. (Inventor); Ried, Robert C. (Inventor); Kroll, Kenneth R. (Inventor); Gamble, Joe (Inventor)

    1989-01-01

    An aerobraking orbital transfer vehicle which includes an aerobraking device which also serves as a heat shield in the shape of a raked-off elliptic or circular cone with a circular or elliptical base, and with an ellipsoid or other blunt shape nose. The aerobraking device is fitted with a toroid-like skirt and is integral with the support structure of the propulsion system and other systems of the space vehicle. The vehicle is intended to be transported in components to a space station in lower earth orbit where it is assembled for use as a transportation system from low earth orbit to geosynchronous earth orbit and return. Conventional guidance means are included for autonomous flight.

  2. Orbiting Carbon Observatory Briefing

    NASA Image and Video Library

    2009-01-29

    Eric Ianson speaks during a media briefing to discuss the upcoming Orbiting Carbon Observatory mission, the first NASA spacecraft dedicated to studying carbon dioxide, Thursday, Jan. 29, 2009, at NASA Headquarters in Washington. Photo Credit: (NASA/Paul E. Alers)

  3. Orbiting Carbon Observatory Briefing

    NASA Image and Video Library

    2009-01-29

    Ralph Basilio talks during a media briefing to discuss the upcoming Orbiting Carbon Observatory mission, the first NASA spacecraft dedicated to studying carbon dioxide, Thursday, Jan. 29, 2009, at NASA Headquarters in Washington. Photo Credit: (NASA/Paul E. Alers)

  4. Orbiting Carbon Observatory Briefing

    NASA Image and Video Library

    2009-01-29

    Panelists are seen during a media briefing to discuss the upcoming Orbiting Carbon Observatory mission, the first NASA spacecraft dedicated to studying carbon dioxide, Thursday, Jan. 29, 2009, at NASA Headquarters in Washington. Photo Credit: (NASA/Paul E. Alers)

  5. Orbiting Carbon Observatory Briefing

    NASA Image and Video Library

    2009-01-29

    Charles Miller talks during a media briefing to discuss the upcoming Orbiting Carbon Observatory mission, the first NASA spacecraft dedicated to studying carbon dioxide, Thursday, Jan. 29, 2009, at NASA Headquarters in Washington. Photo Credit: (NASA/Paul E. Alers)

  6. A tapestry of orbits

    SciTech Connect

    King-Hele, D.

    1992-01-01

    In this book, the author describes how orbital research developed to yield a rich harvest of knowledge about the earth and its atmosphere. King-Hele relates a personal account of this research based on analysis of satellite orbits between 1957 and 1990 conducted from the Royal Aircraft Establishment in Farnborough England. The early research methods used before the launch of Sputnik in 1957 are discussed.

  7. Simultaneous orbit determination

    NASA Technical Reports Server (NTRS)

    Wright, J. R.

    1988-01-01

    Simultaneous orbit determination is demonstrated using live range and Doppler data for the NASA/Goddard tracking configuration defined by the White Sands Ground Terminal (WSGT), the Tracking and Data Relay Satellite (TDRS), and the Earth Radiation Budget Satellite (ERBS). A physically connected sequential filter-smoother was developed for this demonstration. Rigorous necessary conditions are used to show that the state error covariance functions are realistic; and this enables the assessment of orbit estimation accuracies for both TDRS and ERBS.

  8. 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.

  9. 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.

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

    SciTech Connect

    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

  11. Simple satellite orbit propagator

    NASA Astrophysics Data System (ADS)

    Gurfil, P.

    2008-06-01

    An increasing number of space missions require on-board autonomous orbit determination. The purpose of this paper is to develop a simple orbit propagator (SOP) for such missions. Since most satellites are limited by the available processing power, it is important to develop an orbit propagator that will use limited computational and memory resources. In this work, we show how to choose state variables for propagation using the simplest numerical integration scheme available-the explicit Euler integrator. The new state variables are derived by the following rationale: Apply a variation-of-parameters not on the gravity-affected orbit, but rather on the gravity-free orbit, and teart the gravity as a generalized force. This ultimately leads to a state vector comprising the inertial velocity and a modified position vector, wherein the product of velocity and time is subtracted from the inertial position. It is shown that the explicit Euler integrator, applied on the new state variables, becomes a symplectic integrator, preserving the Hamiltonian and the angular momentum (or a component thereof in the case of oblateness perturbations). The main application of the proposed propagator is estimation of mean orbital elements. It is shown that the SOP is capable of estimating the mean elements with an accuracy that is comparable to a high-order integrator that consumes an order-of-magnitude more computational time than the SOP.

  12. The Lunar Orbital Prospector

    NASA Technical Reports Server (NTRS)

    Redd, Frank J.; Cantrell, James N.; Mccurdy, Greg

    1992-01-01

    The establishment of lunar bases will not end the need for remote sensing of the lunar surface by orbiting platforms. Human and robotic surface exploration will necessarily be limited to some proximate distance from the support base. Near real-time, high-resolution, global characterization of the lunar surface by orbiting sensing systems will continue to be essential to the understanding of the Moon's geophysical structure and the location of exploitable minerals and deposits of raw materials. The Lunar Orbital Prospector (LOP) is an orbiting sensing platform capable of supporting a variety of modular sensing packages. Serviced by a lunar-based shuttle, the LOP will permit the exchange of instrument packages to meet evolving mission needs. The ability to recover, modify, and rotate sensing packages allows their reuse in varying combinations. Combining this flexibility with robust orbit modification capabilities and near real-time telemetry links provides considerable system responsiveness. Maintenance and modification of the LOP orbit are accomplished through use of an onboard propulsion system that burns lunar-supplied oxygen and aluminum. The relatively low performance of such a system is more than compensated for by the elimination of the need for Earth-supplied propellants. The LOP concept envisions a continuous expansion of capability through the incorporation of new instrument technologies and the addition of platforms.

  13. 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

  14. 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.

  15. Lone pairs: an electrostatic viewpoint.

    PubMed

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

    2014-01-16

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

  16. Mars Geoscience Orbiter and Lunar Geoscience Orbiter

    NASA Technical Reports Server (NTRS)

    Fuldner, W. V.; Kaskiewicz, P. F.

    1983-01-01

    The feasibility of using the AE/DE Earth orbiting spacecraft design for the LGO and/or MGO missions was determined. Configurations were developed and subsystems analysis was carried out to optimize the suitability of the spacecraft to the missions. The primary conclusion is that the basic AE/DE spacecraft can readily be applied to the LGO mission with relatively minor, low risk modifications. The MGO mission poses a somewhat more complex problem, primarily due to the overall maneuvering hydrazine budget and power requirements of the sensors and their desired duty cycle. These considerations dictate a modification (scaling up) of the structure to support mission requirements.

  17. 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

  18. 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

  19. The orbital record in stratigraphy

    NASA Technical Reports Server (NTRS)

    Fischer, Alfred G.

    1992-01-01

    Orbital signals are being discovered in pre-Pleistocene sediments. Due to their hierarchical nature these cycle patterns are complex, and the imprecision of geochronology generally makes the assignment of stratigraphic cycles to specific orbital cycles uncertain, but in sequences such as the limnic Newark Group under study by Olsen and pelagic Cretaceous sequence worked on by our Italo-American group the relative frequencies yield a definitive match to the Milankovitch hierarchy. Due to the multiple ways in which climate impinges on depositional systems, the orbital signals are recorded in a multiplicity of parameters, and affect different sedimentary facies in different ways. In platform carbonates, for example, the chief effect is via sea-level variations (possibly tied to fluctuating ice volume), resulting in cycles of emergence and submergence. In limnic systems it finds its most dramatic expression in alternations of lake and playa conditions. Biogenic pelagic oozes such as chalks and the limestones derived from them display variations in the carbonate supplied by planktonic organisms such as coccolithophores and foraminifera, and also record variations in the aeration of bottom waters. Whereas early studies of stratigraphic cyclicity relied mainly on bedding variations visible in the field, present studies are supplementing these with instrumental scans of geochemical, paleontological, and geophysical parameters which yield quantitative curves amenable to time-series analysis; such analysis is, however, limited by problems of distorted time-scales. My own work has been largely concentrated on pelagic systems. In these, the sensitivity of pelagic organisms to climatic-oceanic changes, combined with the sensitivity of botton life to changes in oxygen availability (commonly much more restricted in the Past than now) has left cyclic patterns related to orbital forcing. These systems are further attractive because (1) they tend to offer depositional continuity

  20. 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.

  1. 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.

  2. Stereo Pair, Patagonia, Argentina

    NASA Technical Reports Server (NTRS)

    2000-01-01

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

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

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

  3. Stereo Pair: Patagonia, Argentina

    NASA Technical Reports Server (NTRS)

    2000-01-01

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

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

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

  4. Orbits for eight Hipparcos double stars

    SciTech Connect

    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

  5. Orbiter Docking System Installation

    NASA Technical Reports Server (NTRS)

    1995-01-01

    Workers in Orbiter Processing Facility Bay 3 are installing the Orbiter Docking System (ODS) in the payload bay of the orbiter Atlantis (OV-104). The ODS includes an airlock, a supporting truss structure, a docking base, and a Russian-built docking mechanism (uppermost). The ODS is nearly 15 feet (4.6 meters) wide, 6.5 feet (2 meters) long, 13.5 feet (4.1 meters high), and weighs more than 3,500 pounds (1,588 kilograms). It is being installed near the forward end of the orbiter's payload bay and will be connected by a short tunnel to the existing airlock inside the orbiter's pressurized crew cabin.The installation will take about two hours to complete. Later this week, the Spacelab module also will be installed in OV-104's payload bay; it will connect to the ODS via a tunnel. During the first docking between the Space Shuttle Atlantis and the Russian Space Station Mir, the Russian-built docking mechanism on the ODS will be mated to a similar interface on the Krystall module docking port on Mir, allowing crew members to pass back and forth between the two spacecraft. That Shuttle mission, STS-71, is scheduled for liftoff in early June.

  6. Sedna Orbit Comparisons

    NASA Technical Reports Server (NTRS)

    2004-01-01

    These four panels show the location of the newly discovered planet-like object, dubbed 'Sedna,' which lies in the farthest reaches of our solar system. Each panel, moving counterclockwise from the upper left, successively zooms out to place Sedna in context. The first panel shows the orbits of the inner planets, including Earth, and the asteroid belt that lies between Mars and Jupiter. In the second panel, Sedna is shown well outside the orbits of the outer planets and the more distant Kuiper Belt objects. Sedna's full orbit is illustrated in the third panel along with the object's current location. Sedna is nearing its closest approach to the Sun; its 10,000 year orbit typically takes it to far greater distances. The final panel zooms out much farther, showing that even this large elliptical orbit falls inside what was previously thought to be the inner edge of the Oort cloud. The Oort cloud is a spherical distribution of cold, icy bodies lying at the limits of the Sun's gravitational pull. Sedna's presence suggests that this Oort cloud is much closer than scientists believed.

  7. Sedna Orbit Comparisons

    NASA Image and Video Library

    2004-03-15

    These four panels show the location of the newly discovered planet-like object, dubbed "Sedna," which lies in the farthest reaches of our solar system. Each panel, moving counterclockwise from the upper left, successively zooms out to place Sedna in context. The first panel shows the orbits of the inner planets, including Earth, and the asteroid belt that lies between Mars and Jupiter. In the second panel, Sedna is shown well outside the orbits of the outer planets and the more distant Kuiper Belt objects. Sedna's full orbit is illustrated in the third panel along with the object's current location. Sedna is nearing its closest approach to the Sun; its 10,000 year orbit typically takes it to far greater distances. The final panel zooms out much farther, showing that even this large elliptical orbit falls inside what was previously thought to be the inner edge of the Oort cloud. The Oort cloud is a spherical distribution of cold, icy bodies lying at the limits of the Sun's gravitational pull. Sedna's presence suggests that this Oort cloud is much closer than scientists believed. http://photojournal.jpl.nasa.gov/catalog/PIA05569

  8. 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…

  9. 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

  10. 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.

  11. Galileo Jupiter approach orbit determination

    NASA Technical Reports Server (NTRS)

    Miller, J. K.; Nicholson, F. T.

    1984-01-01

    Orbit determination characteristics of the Jupiter approach phase of the Galileo mission are described. Predicted orbit determination performance is given for the various mission events that occur during Jupiter approach. These mission events include delivery of an atmospheric entry probe, acquisition of probe science data by the Galileo orbiter for relay to earth, delivery of an orbiter to a close encounter of the Galilean satellite Io, and insertion of the orbiter into orbit about Jupiter. The orbit determination strategy and resulting accuracies are discussed for the data types which include Doppler, range, optical imaging of Io, and a new Very Long Baseline Interferometry (VLBI) data type called Differential One-Way Range (DOR).

  12. 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.

  13. Mars Telecommunications Orbiter, Artist's Concept

    NASA Technical Reports Server (NTRS)

    2005-01-01

    This illustration depicts a concept for NASA's Mars Telecommunications Orbiter in flight around Mars. The orbiter is in development to be the first spacecraft with a primary function of providing communication links while orbiting a foreign planet. The project's plans call for launch in September 2009, arrival at Mars in August 2010 and a mission of six to 10 years while in orbit. Mars Telecommunication Orbiter would serve as the Mars hub for an interplanetery Internet, greatly increasing the information payoff from other future Mars missions. The mission is designed to orbit Mars more than 10 times farther from the planet than orbiters dedicated primarily to science. The high-orbit design minimizes the time that Mars itself blocks the orbiter from communicating with Earth and maximizes the time that the orbiter is above the horizon -- thus capable of communications relay -- for rovers and stationary landers on Mars' surface.

  14. Solar Orbiter Status Update

    NASA Astrophysics Data System (ADS)

    Zouganelis, Y.; Mueller, D.; St Cyr, O. C.; Gilbert, H. R.

    2016-12-01

    Solar Orbiter, the first mission of ESA's Cosmic Vision 2015-2025 programme, promises to deliver groundbreaking science with previously unavailable observational capabilities provided by a suite of in-situ and remote-sensing instruments in a unique orbit. The mission will address the central question of heliophysics: How does the Sun create and control the heliosphere? The heliosphere represents a uniquely accessible domain of space, where fundamental physical processes common to solar, astrophysical and laboratory plasmas can be studied under conditions impossible to reproduce on Earth and unfeasible to observe from astronomical distances. In this talk, we highlight the scientific goals of Solar Orbiter, address the synergy between this joint ESA/NASA mission and other new space and ground-based observatories, and present the mission's development status.

  15. Planning Orbiter Flights

    NASA Technical Reports Server (NTRS)

    Harris, H. M.; Bergam, M. J.; Kim, S. L.; Smith, E. A.

    1987-01-01

    Shuttle Mission Design and Operations Software (SMDOS) assists in design and operation of missions involving spacecraft in low orbits around Earth by providing orbital and graphics information. SMDOS performs following five functions: display two world and two polar maps or any user-defined window 5 degrees high in latitude by 5 degrees wide in longitude in one of eight standard projections; designate Earth sites by points or polygon shapes; plot spacecraft ground track with 1-min demarcation lines; display, by means of different colors, availability of Tracking and Data Relay Satellite to Shuttle; and calculate available times and orbits to view particular site, and corresponding look angles. SMDOS written in Laboratory Micro-systems FORTH (1979 standard)

  16. Orbit utilization - Current regulations

    NASA Astrophysics Data System (ADS)

    Lepkowski, R. J.

    It is pointed out that an increasingly efficient use of the geostationary satellite orbit and spectrum is necessary to accommodate the growing number of planned U.S. domestic satellites, as well as those of other countries. Technical efficiency can be maximized by designing satellites in a homogeneous manner which minimizes transmission differences between satellites. However, flexibility is also needed to design domestic satellite facilities to respond to the diverse demands in a competitive market. The Federal Communication Commission (FCC) seeks to achieve a balance between these goals in their domestic satellite policies and regulations. In December 1980, the FCC authorized the construction of some 22 new domestic satellites and the launch of 18 satellites. Attention is given to orbit use policies and reduced orbital spacings.

  17. Spiral Orbit Tribometer

    NASA Technical Reports Server (NTRS)

    Pepper, Stephen V.; Jones, William R., Jr.; Kingsbury, Edward; Jansen, Mark J.

    2007-01-01

    The spiral orbit tribometer (SOT) bridges the gap between full-scale life testing and typically unrealistic accelerated life testing of ball-bearing lubricants in conjunction with bearing ball and race materials. The SOT operates under realistic conditions and quickly produces results, thereby providing information that can guide the selection of lubricant, ball, and race materials early in a design process. The SOT is based upon a simplified, retainerless thrust bearing comprising one ball between flat races (see figure). The SOT measures lubricant consumption and degradation rates and friction coefficients in boundary lubricated rolling and pivoting contacts. The ball is pressed between the lower and upper races with a controlled force and the lower plate is rotated. The combination of load and rotation causes the ball to move in a nearly circular orbit that is, more precisely, an opening spiral. The spiral s pitch is directly related to the friction coefficient. At the end of the orbit, the ball contacts the guide plate, restoring the orbit to its original radius. The orbit is repeatable throughout the entire test. A force transducer, mounted in-line with the guide plate, measures the force between the ball and the guide plate, which directly relates to the friction coefficient. The SOT, shown in the figure, can operate in under ultra-high vacuum (10(exp -9) Torr) or in a variety of gases at atmospheric pressure. The load force can be adjusted between 45 and 450 N. By varying the load force and ball diameter, mean Hertzian stresses between 0.5 and 5.0 GPa can be obtained. The ball s orbital speed range is between 1 and 100 rpm.

  18. Orbital metastases in Italy

    PubMed Central

    Magliozzi, Patrizio; Strianese, Diego; Bonavolontà, Paola; Ferrara, Mariantonia; Ruggiero, Pasquale; Carandente, Raffaella; Bonavolontà, Giulio; Tranfa, Fausto

    2015-01-01

    AIM To describe a series of Italian patients with orbital metastasis focusing on the outcomes in relation to the different primary site of malignancy. METHODS Retrospective chart review of 93 patients with orbital metastasis collected in a tertiary referral centre in a period of 38y and review of literature. RESULTS Out of 93 patients, 52 were females and 41 were males. Median age at diagnosis was 51y (range 1 to 88y). The patients have been divided into four groups on the basis of the year of diagnosis. The frequency of recorded cases had decreased significantly (P<0.05) during the last 9.5y. Primary tumor site was breast in 36 cases (39%), kidney in 10 (11%), lung in 8 (9%), skin in 6 (6%); other sites were less frequent. In 16 case (17%) the primary tumor remained unknown. The most frequent clinical findings were proptosis (73%), limited ocular motility (55%), blepharoptosis (46%) and blurred vision (43%). The diagnosis were established by history, ocular and systemic evaluation, orbital imaging studies and open biopsy or fine needle aspiration biopsy (FNAB). Treatment included surgical excision, irradiation, chemotherapy, hormone therapy, or observation. Ninety-one percent of patients died of metastasis with an overall mean survival time (OMST) after the orbital diagnosis of 13.5mo. CONCLUSION Breast, kidney and lung are the most frequent primary sites of cancer leading to an orbital metastasis. When the primary site is unknown, gastrointestinal tract should be carefully investigated. In the last decade a decrease in the frequency of orbital metastasis has been observed. Surgery provides a local palliation. Prognosis remains poor with a OMST of 13.5mo ranging from the 3mo in the lung cancer to 24mo in the kidney tumor. PMID:26558220

  19. 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.

  20. [A Roman orbital implant?].

    PubMed

    Rohrbach, J M; Harbeck, M; Holzhauser, P; Tekeva-Rohrbach, C I; Mach, M; Codreanu-Windauer, S

    2012-11-01

    During an excavation in Regensburg/Germany the skeleton of an approximately 20-year-old Roman man was found who was buried in the 3rd/4th century after Christ. A "stone" was found which fitted into the left orbit precisely. After a thorough investigation of the "stone" and with the ophthalmohistorical literature in mind an orbital "implant" as well as a petrified medical paste ("Kollyrium") could be ruled out almost with certainty. Possibly the "stone" served another medical purpose or was used for protection of the eye. Georg Thieme Verlag KG Stuttgart · New York.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  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. 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.

  8. Solar Orbiter Status Report

    NASA Astrophysics Data System (ADS)

    Gilbert, Holly; St. Cyr, Orville Chris; Mueller, Daniel; Zouganelis, Yannis; Velli, Marco

    2017-08-01

    With the delivery of the instruments to the spacecraft builder, the Solar Orbiter mission is in the midst of Integration & Testing phase at Airbus in Stevenage, U.K. This mission to “Explore the Sun-Heliosphere Connection” is the first medium-class mission of ESA’s Cosmic Vision 2015-2025 program and is being jointly implemented with NASA. The dedicated payload of 10 remote-sensing and in-situ instruments will orbit the Sun as close as 0.3 A.U. and will provide measurments from the photosphere into the solar wind. The three-axis stabilized spacecraft will use Venus gravity assists to increase the orbital inclination out of the ecliptic to solar latitudes as high as 34 degrees in the extended mission. The science team of Solar Orbiter has been working closely with the Solar Probe Plus scientists to coordinate observations between these two highly-complementary missions. This will be a status report on the mission development; the interested reader is referred to the recent summary by Müller et al., Solar Physics 285 (2013).

  9. Orbiter Avionics Radiation Handbook

    NASA Technical Reports Server (NTRS)

    Reddell, Brandon D.

    1999-01-01

    This handbook was assembled to document he radiation environment for design of Orbiter avionics. It also maps the environment through vehicle shielding and mission usage into discrete requirements such as total dose. Some details of analytical techniques for calculating radiation effects are provided. It is anticipated that appropriate portions of this document will be added to formal program specifications.

  10. Sedna Orbit Animation

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This animation shows the location of the newly discovered planet-like object, dubbed 'Sedna,' in relation to the rest of the solar system. Starting at the inner solar system, which includes the orbits of Mercury, Venus, Earth, and Mars (all in yellow), the view pulls away through the asteroid belt and the orbits of the outer planets beyond (green). Pluto and the distant Kuiper Belt objects are seen next until finally Sedna comes into view. As the field widens the full orbit of Sedna can be seen along with its current location. Sedna is nearing its closest approach to the Sun; its 10,000 year orbit typically takes it to far greater distances. Moving past Sedna, what was previously thought to be the inner edge of the Oort cloud appears. The Oort cloud is a spherical distribution of cold, icy bodies lying at the limits of the Sun's gravitational pull. Sedna's presence suggests that this Oort cloud is much closer than scientists believed.

  11. Lunar Orbit Anomaly

    NASA Astrophysics Data System (ADS)

    Riofrio, L.

    2012-12-01

    Independent experiments show a large anomaly in measurements of lunar orbital evolution, with applications to cosmology and the speed of light. The Moon has long been known to be slowly drifting farther from Earth due to tidal forces. The Lunar Laser Ranging Experiment (LLRE) indicates the Moon's semimajor axis increasing at 3.82 ± .07 cm/yr, anomalously high. If the Moon were today gaining angular momentum at this rate, it would have coincided with Earth less than 2 Gyr ago. Study of tidal rhythmites indicates a rate of 2.9 ± 0.6 cm/yr. Historical eclipse observations independently measure a recession rate of 2.82 ± .08 cm/yr. Detailed numerical simulation of lunar orbital evolution predicts 2.91 cm/yr. LLRE differs from three independent experiments by over12 sigma. A cosmology where speed of light c is related to time t by GM=tc^3 has been suggested to predict the redshifts of Type Ia supernovae, and a 4.507034% proportion of baryonic matter. If c were changing in the amount predicted, lunar orbital distance would appear to increase by an additional 0.935 cm/yr. An anomaly in the lunar orbit may be precisely calculated, shedding light on puzzles of 'dark energy'. In Planck units this cosmology may be summarized as M=R=t.Lunar Recession Rate;

  12. Goddard Brouwer Orbit Bulletin

    NASA Technical Reports Server (NTRS)

    Morgan, D. B.; Gordon, R. A.

    1971-01-01

    The bulletin provides operational support for earth space research and technological missions by producing a tape containing pertinent spacecraft orbital information which is provided to a number of cities around the world in support of individual missions. A program description of the main and associated subroutines, and a complete description of the input, output and requirements of the bulletin program are presented.

  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. Meteoroid Orbits from Observations

    NASA Astrophysics Data System (ADS)

    Campbell-Brown, Margaret

    2018-04-01

    Millions of orbits of meteoroids have been measured over the last few decades, and they comprise the largest sample of orbits of solar system bodies which exists. The orbits of these objects can shed light on the distribution and evolution of comets and asteroids in near-Earth space (e.g. Neslusan et al. 2016). If orbits can be measured at sufficiently high resolution, individual meteoroids can be traced back to their parent bodies and, in principle, even to their ejection time (Rudawska et al. 2012). Orbits can be measured with multi-station optical observations or with radar observations.The most fundamental measured quantities are the speed of the meteor and the two angles of the radiant, or point in the sky from which the meteor appears to come. There are many methods used to determine these from observations, but not all produce the most accurate results (Egal et al. 2017). These three measured quantities, along with the time and location of the observation, are sufficient to obtain an orbit (see, e.g., Clark & Wiegert 2011), but the measurements must be corrected for the deceleration of the meteoroid in the atmosphere before it was detected, the rotation of the Earth, and the gravitational attraction of the Earth (including higher order moments if great precision is necessary).Once meteor orbits have been determined, studies of the age and origin of meteor showers (Bruzzone et al., 2015), the parent bodies of sporadic sources (Pokorny et al. 2014), and the dynamics of the meteoroid complex as a whole can be constrained.Bruzzone, J. S., Brown, P., Weryk, R., Campbell-Brown, M., 2015. MNRAS 446, 1625.Clark, D., Wiegert, P., 2011. M&PS 46, 1217.Egal, A., Gural, P., Vaubaillon, J., Colas, F., Thuillot, W., 2017. Icarus 294, 43.Neslusan, L., Vaubaillon, J., Hajdukova, M., 2016. A&A 589, id.A100.Pokorny, P., Vokrouhlicky, D., Nesvorny, D., Campbell-Brown, M., Brown, P., 2014. ApJ 789, id.25.Rudawska, R., Vaubaillon, J., Atreya, P., 2012. A&A 541, id.A2

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. Spacetime and orbits of bumpy black holes

    SciTech Connect

    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

  6. 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.

  7. 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.

  8. 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

  9. Mated Fingerprint Card Pairs 2 (MFCP2)

    National Institute of Standards and Technology Data Gateway

    NIST Mated Fingerprint Card Pairs 2 (MFCP2) (Web, free access)   NIST Special Database 14 is being distributed for use in development and testing of automated fingerprint classification and matching systems on a set of images which approximate a natural horizontal distribution of the National Crime Information Center (NCIC) fingerprint classes. A newer version of the compression/decompression software on the CDROM can be found at the website http://www.nist.gov/itl/iad/ig/nigos.cfm as part of the NBIS package.

  10. 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.

  11. 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.

  12. SPECS: Orbital debris removal

    NASA Technical Reports Server (NTRS)

    1991-01-01

    The debris problem has reached a stage at which the risk to satellites and spacecraft has become substantial in low Earth orbit (LEO). This research discovered that small particles posed little threat to spacecraft because shielding can effectively prevent these particles from damaging the spacecraft. The research also showed that, even though collision with a large piece of debris could destroy the spacecraft, the large pieces of debris pose little danger because they can be tracked and the spacecraft can be maneuvered away from these pieces. Additionally, there are many current designs to capture and remove large debris particles from the space environment. From this analysis, it was decided to concentrate on the removal of medium-sized orbital debris, that is, those pieces ranging from 1 cm to 50 cm in size. The current design incorporates a transfer vehicle and a netting vehicle to capture the medium-sized debris. The system is based near an operational space station located at 28.5 deg inclination and 400 km altitude. The system uses ground-based tracking to determine the location of a satellite breakup or debris cloud. These data are uploaded to the transfer vehicle, which proceeds to rendezvous with the debris at a lower altitude parking orbit. Next, the netting vehicle is deployed, tracks the targeted debris, and captures it. After expending the available nets, the netting vehicle returns to the transfer vehicle for a new netting module and continues to capture more debris in the target area. Once all the netting modules are expended, the transfer vehicle returns to the space station's orbit where it is resupplied with new netting modules from a space shuttle load. The new modules are launched by the shuttle from the ground and the expended modules are taken back to Earth for removal of the captured debris, refueling, and repacking of the nets. Once the netting modules are refurbished, they are taken back into orbit for reuse. In a typical mission, the

  13. Quantum Mechanical Earth: Where Orbitals Become Orbits

    ERIC Educational Resources Information Center

    Keeports, David

    2012-01-01

    Macroscopic objects, although quantum mechanical by nature, conform to Newtonian mechanics under normal observation. According to the quantum mechanical correspondence principle, quantum behavior is indistinguishable from classical behavior in the limit of very large quantum numbers. The purpose of this paper is to provide an example of the…

  14. 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

  15. 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.

  16. Close up view of the Orbiter Discovery in the Orbiter ...

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

    Close up view of the Orbiter Discovery in the Orbiter Processing Facility at Kennedy Space Center. The view is a detail of the aft, starboard landing gear and a general view of the Thermal Protection System tiles around the landing-gear housing. - Space Transportation System, Orbiter Discovery (OV-103), Lyndon B. Johnson Space Center, 2101 NASA Parkway, Houston, Harris County, TX

  17. Integrated structural and optical modeling of the orbiting stellar interferometer

    NASA Astrophysics Data System (ADS)

    Shaklan, Stuart B.; Yu, Jeffrey W.; Briggs, Hugh C.

    1993-11-01

    The Integrated Modeling of Optical Systems (IMOS) Integration Workbench at JPL has been used to model the effects of structural perturbations on the optics in the proposed Orbiting Stellar Interferometer (OSI). OSI consists of 3 pairs of interferometers and delay lines attached to a 7.5 meter truss. They are interferometrically monitored from a separate boom by a laser metrology system. The spatially distributed nature of the science instrument calls for a high level of integration between the optics and support structure. Because OSI is designed to achieve micro-arcsecond astrometry, many of its alignment, stability, and knowledge tolerances are in the submicron regime. The spacecraft will be subject to vibrations caused by reaction wheels and on-board equipment, as well as thermal strain due to solar and terrestrial heating. These perturbations affect optical parameters such as optical path differences and beam co-parallelism which are critical to instrument performance. IMOS provides an environment that allows one to design and perturb the structure, attach optics to structural or non-structural nodes, trace rays, and analyze the impact of mechanical perturbations on optical performance. This tool makes it simple to change the structure and immediately see performance enhancement/degradation. We have employed IMOS to analyze the effect of reaction wheel disturbances on the optical path difference in both the science and metrology interferometers.

  18. 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.

  19. 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.

  20. 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.

  1. Tethered orbital propellant depot

    NASA Technical Reports Server (NTRS)

    Fester, D. A.; Rudolph, L. K.; Kiefel, E. R.

    1985-01-01

    A planned function of the Space Station is to refurbish and refuel an advanced space-based LO2/LH2 orbit transfer vehicle. An alternative to propellant storage at the station is to use a remote facility tied to the station with a log tether. Preliminary design of such a facility is described with emphasis on fluid transfer and storage requirements. Using tether lengths of at least 300 ft, gravity gradient forces will dominate surface tension in such a system. Although gravity given transfer is difficult because of line pressure drops, fluid settling over the tank outlet greatly alleviates acquisition concerns and will facilitate vented tank fills. The major concern with a tethered orbital refueling facility is its considerable operational complexity including transport of the OTV to and from the facility.

  2. On-orbit coldwelding

    NASA Technical Reports Server (NTRS)

    Dursch, Harry; Spear, Steve

    1991-01-01

    Spacecraft mechanisms are required to operate in the space environment for extended periods of time. A significant concern to the spacecraft designer is the possibility of metal to metal coldwelding or significant increases in friction. Coldwelding can occur between atomically clean metal surfaces when carefully prepared in a vacuum chamber on earth. The question is whether coldwelding occurs in orbit service conditions. The results of the System Special Investigation Group's (SIG's) investigation into whether coldwelding had occurred on any Long Duration Exposure Facility (LDEF) hardware are presented. The results of a literature search into previous ground based anomalies is also presented. Results show that even though there have been no documented on-orbit coldwelding related failures, precautions should be taken to ensure that coldwelding does not occur in the space environment and that seizure does not occur in the prelaunch or launch environment.

  3. Three orbital transfer vehicles

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Aerospace engineering students at the Virginia Polytechnic Institute and State University undertook three design projects under the sponsorship of the NASA/USRA Advanced Space Design Program. All three projects addressed cargo and/or crew transportation between low Earth orbit and geosynchronous Earth orbit. Project SPARC presents a preliminary design of a fully reusable, chemically powered aeroassisted vehicle for a transfer of a crew of five and a 6000 to 20000 pound payload. The ASTV project outlines a chemically powered aeroassisted configuration that uses disposable tanks and a relatively small aerobrake to realize propellant savings. The third project, LOCOST, involves a reusable, hybrid laser/chemical vehicle designed for large cargo (up to 88,200 pounds) transportation.

  4. Mercury orbiter transport study

    NASA Technical Reports Server (NTRS)

    Friedlander, A. L.; Feingold, H.

    1977-01-01

    A data base and comparative performance analyses of alternative flight mode options for delivering a range of payload masses to Mercury orbit are provided. Launch opportunities over the period 1980-2000 are considered. Extensive data trades are developed for the ballistic flight mode option utilizing one or more swingbys of Venus. Advanced transport options studied include solar electric propulsion and solar sailing. Results show the significant performance tradeoffs among such key parameters as trip time, payload mass, propulsion system mass, orbit size, launch year sensitivity and relative cost-effectiveness. Handbook-type presentation formats, particularly in the case of ballistic mode data, provide planetary program planners with an easily used source of reference information essential in the preliminary steps of mission selection and planning.

  5. Usachev in orbiter airlock

    NASA Image and Video Library

    2001-03-09

    STS102-E-5019 (9 March 2001) --- Cosmonaut Yury V. Usachev, representing Rosaviakosmos, checks out two extravehicular mobility unit (EMU) space suits in the airlock of the Space Shuttle Discovery only hours away from assuming his role as a full fledged International Space Station crew member. Usachev, Expedition Two commander, and two astronauts are scheduled to trade places with two cosmonauts and an astronaut who have been onboard the orbiting outpost since early November 2000.

  6. Spectrophotovoltaic orbital power generation

    NASA Technical Reports Server (NTRS)

    Onffroy, J. R.

    1980-01-01

    The feasibilty of a spectrophotovoltaic orbital power generation system that optically concentrates solar energy is demonstrated. A dichroic beam-splitting mirror is used to divide the solar spectrum into two wavebands. Absorption of these wavebands by GaAs and Si solar cell arrays with matched energy bandgaps increases the cell efficiency while decreasing the amount of heat that must be rejected. The projected cost per peak watt if this system is $2.50/W sub p.

  7. Orbital debris measurements

    NASA Astrophysics Data System (ADS)

    Kessler, D. J.

    What is currently known about the orbital debris flux is from a combination of ground based and in-space measurements. These measurements have revealed an increasing population with decreasing size. A summary of measurements is presented for the following sources: the North American Aerospace Defense Command Catalog, the Perimeter Acquisition and Attack Characterization System Radar, ground based optical telescopes, the Explorer 46 Meteoroid Bumper Experiment, spacecraft windows, and Solar Max surfaces.

  8. Orbital debris measurements

    NASA Technical Reports Server (NTRS)

    Kessler, D. J.

    1986-01-01

    What is currently known about the orbital debris flux is from a combination of ground based and in-space measurements. These measurements have revealed an increasing population with decreasing size. A summary of measurements is presented for the following sources: the North American Aerospace Defense Command Catalog, the Perimeter Acquisition and Attack Characterization System Radar, ground based optical telescopes, the Explorer 46 Meteoroid Bumper Experiment, spacecraft windows, and Solar Max surfaces.

  9. Orbital Debris Modeling

    NASA Technical Reports Server (NTRS)

    Liou, J. C.

    2012-01-01

    Presentation outlne: (1) The NASA Orbital Debris (OD) Engineering Model -- A mathematical model capable of predicting OD impact risks for the ISS and other critical space assets (2) The NASA OD Evolutionary Model -- A physical model capable of predicting future debris environment based on user-specified scenarios (3) The NASA Standard Satellite Breakup Model -- A model describing the outcome of a satellite breakup (explosion or collision)

  10. Small Mercury Relativity Orbiter

    NASA Technical Reports Server (NTRS)

    Bender, Peter L.; Vincent, Mark A.

    1989-01-01

    The accuracy of solar system tests of gravitational theory could be very much improved by range and Doppler measurements to a Small Mercury Relativity Orbiter. A nearly circular orbit at roughly 2400 km altitude is assumed in order to minimize problems with orbit determination and thermal radiation from the surface. The spacecraft is spin-stabilized and has a 30 cm diameter de-spun antenna. With K-band and X-band ranging systems using a 50 MHz offset sidetone at K-band, a range accuracy of 3 cm appears to be realistically achievable. The estimated spacecraft mass is 50 kg. A consider-covariance analysis was performed to determine how well the Earth-Mercury distance as a function of time could be determined with such a Relativity Orbiter. The minimum data set is assumed to be 40 independent 8-hour arcs of tracking data at selected times during a two year period. The gravity field of Mercury up through degree and order 10 is solved for, along with the initial conditions for each arc and the Earth-Mercury distance at the center of each arc. The considered parameters include the gravity field parameters of degree 11 and 12 plus the tracking station coordinates, the tropospheric delay, and two parameters in a crude radiation pressure model. The conclusion is that the Earth-Mercury distance can be determined to 6 cm accuracy or better. From a modified worst-case analysis, this would lead to roughly 2 orders of magnitude improvement in the knowledge of the precession of perihelion, the relativistic time delay, and the possible change in the gravitational constant with time.

  11. Orbiter Autoland reliability analysis

    NASA Technical Reports Server (NTRS)

    Welch, D. Phillip

    1993-01-01

    The Space Shuttle Orbiter is the only space reentry vehicle in which the crew is seated upright. This position presents some physiological effects requiring countermeasures to prevent a crewmember from becoming incapacitated. This also introduces a potential need for automated vehicle landing capability. Autoland is a primary procedure that was identified as a requirement for landing following and extended duration orbiter mission. This report documents the results of the reliability analysis performed on the hardware required for an automated landing. A reliability block diagram was used to evaluate system reliability. The analysis considers the manual and automated landing modes currently available on the Orbiter. (Autoland is presently a backup system only.) Results of this study indicate a +/- 36 percent probability of successfully extending a nominal mission to 30 days. Enough variations were evaluated to verify that the reliability could be altered with missions planning and procedures. If the crew is modeled as being fully capable after 30 days, the probability of a successful manual landing is comparable to that of Autoland because much of the hardware is used for both manual and automated landing modes. The analysis indicates that the reliability for the manual mode is limited by the hardware and depends greatly on crew capability. Crew capability for a successful landing after 30 days has not been determined yet.

  12. Orbital spacecraft consumables resupply

    NASA Technical Reports Server (NTRS)

    Dominick, Sam M.; Eberhardt, Ralph N.; Tracey, Thomas R.

    1988-01-01

    The capability to replenish spacecraft, satellites, and laboratories on-orbit with consumable fluids provides significant increases in their cost and operational effectiveness. Tanker systems to perform on-orbit fluid resupply must be flexible enough to operate from the Space Transportation System (STS), Space Station, or the Orbital Maneuvering Vehicle (OMV), and to accommodate launch from both the Shuttle and Expendable Launch Vehicles (ELV's). Resupply systems for storable monopropellant hydrazine and bipropellants, and water have been developed. These studies have concluded that designing tankers capable of launch on both the Shuttle and ELV's was feasible and desirable. Design modifications and interfaces for an ELV launch of the tanker systems were identified. Additionally, it was determined that modularization of the tanker subsystems was necessary to provide the most versatile tanker and most efficient approach for use at the Space Station. The need to develop an automatic umbilical mating mechanism, capable of performing both docking and coupler mating functions was identified. Preliminary requirements for such a mechanism were defined. The study resulted in a modular tanker capable of resupplying monopropellants, bipropellants, and water with a single design.

  13. Pairing induced superconductivity in holography

    NASA Astrophysics Data System (ADS)

    Bagrov, Andrey; Meszena, Balazs; Schalm, Koenraad

    2014-09-01

    We study pairing induced superconductivity in large N strongly coupled systems at finite density using holography. In the weakly coupled dual gravitational theory the mechanism is conventional BCS theory. An IR hard wall cut-off is included to ensure that we can controllably address the dynamics of a single confined Fermi surface. We address in detail the interplay between the scalar order parameter field and fermion pairing. Adding an explicitly dynamical scalar operator with the same quantum numbers as the fermion-pair, the theory experiences a BCS/BEC crossover controlled by the relative scaling dimensions. We find the novel result that this BCS/BEC crossover exposes resonances in the canonical expectation value of the scalar operator. This occurs not only when the scaling dimension is degenerate with the Cooper pair, but also with that of higher derivative paired operators. We speculate that a proper definition of the order parameter which takes mixing with these operators into account stays finite nevertheless.

  14. VLA Reveals a Close Pair of Potential Planetary Systems

    NASA Astrophysics Data System (ADS)

    1998-09-01

    Planets apparently can form in many more binary-star systems than previously thought, according to astronomers who used the National Science Foundation's Very Large Array (VLA) radio telescope to image protoplanetary disks around a close pair of stars. "Most stars in the universe are not alone, like our Sun, but are part of double or triple systems, so this means that the number of potential planets is greater than we realized," said Luis Rodriguez, of the National Autonomous University in Mexico City, who led an international observing team that made the discovery. The astronomers announced their results in the Sept. 24 issue of the scientific journal Nature. The researchers used the VLA to study a stellar nursery - a giant cloud of gas and dust - some 450 light-years distant in the constellation Taurus, where stars the size of the Sun or smaller are being formed. They aimed at one particular object, that, based on previous infrared and radio observations, was believed to be a very young star. The VLA observations showed that the object was not a single young star but a pair of young stars, separated only slightly more than the Sun and Pluto. The VLA images show that each star in the pair is surrounded by an orbiting disk of dust, extending out about as far as the orbit of Saturn. Such dusty disks are believed to be the material from which planets form. Similar disks are seen around single stars, but the newly-discovered disks around the stars in the binary system are about ten times smaller, their size limited by the gravitational effect of the other, nearby star. Their existence indicates, however, that such protoplanetary disks, though truncated in size, still can survive in such a close double-star system. "It was surprising to see these disks in a binary system with the stars so close together," said Rodriguez. "Each of these disks contains enough mass to form a solar system like our own," said David Wilner, of the Harvard-Smithsonian Center for Astrophysics

  15. 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.

  16. 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.

  17. 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

  18. Pair-Starved Pulsar Magnetospheres

    NASA Technical Reports Server (NTRS)

    Muslimov, Alex G.; Harding, Alice K.

    2009-01-01

    We propose a simple analytic model for the innermost (within the light cylinder of canonical radius, approx. c/Omega) structure of open-magnetic-field lines of a rotating neutron star (NS) with relativistic outflow of charged particles (electrons/positrons) and arbitrary angle between the NS spin and magnetic axes. We present the self-consistent solution of Maxwell's equations for the magnetic field and electric current in the pair-starved regime where the density of electron-positron plasma generated above the pulsar polar cap is not sufficient to completely screen the accelerating electric field and thus establish thee E . B = 0 condition above the pair-formation front up to the very high altitudes within the light cylinder. The proposed mode1 may provide a theoretical framework for developing the refined model of the global pair-starved pulsar magnetosphere.

  19. Instability of vortex pair leapfrogging

    NASA Astrophysics Data System (ADS)

    Tophøj, Laust; Aref, Hassan

    2013-01-01

    Leapfrogging is a periodic solution of the four-vortex problem with two positive and two negative point vortices all of the same absolute circulation arranged as co-axial vortex pairs. The set of co-axial motions can be parameterized by the ratio 0 < α < 1 of vortex pair sizes at the time when one pair passes through the other. Leapfrogging occurs for α > σ2, where σ = sqrt{2}-1 is the silver ratio. The motion is known in full analytical detail since the 1877 thesis of Gröbli and a well known 1894 paper by Love. Acheson ["Instability of vortex leapfrogging," Eur. J. Phys. 21, 269-273 (2000)], 10.1088/0143-0807/21/3/310 determined by numerical experiments that leapfrogging is linearly unstable for σ2 < α < 0.382, but apparently stable for larger α. Here we derive a linear system of equations governing small perturbations of the leapfrogging motion. We show that symmetry-breaking perturbations are essentially governed by a 2D linear system with time-periodic coefficients and perform a Floquet analysis. We find transition from linearly unstable to stable leapfrogging at α = ϕ2 ≈ 0.381966, where φ = 1/2(sqrt{5}-1) is the golden ratio. Acheson also suggested that there was a sharp transition between a "disintegration" instability mode, where two pairs fly off to infinity, and a "walkabout" mode, where the vortices depart from leapfrogging but still remain within a finite distance of one another. We show numerically that this transition is more gradual, a result that we relate to earlier investigations of chaotic scattering of vortex pairs [L. Tophøj and H. Aref, "Chaotic scattering of two identical point vortex pairs revisited," Phys. Fluids 20, 093605 (2008)], 10.1063/1.2974830. Both leapfrogging and "walkabout" motions can appear as intermediate states in chaotic scattering at the same values of linear impulse and energy.

  20. 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.

  1. QCD pairing in primordial nuggets

    NASA Astrophysics Data System (ADS)

    Lugones, G.; Horvath, J. E.

    2003-08-01

    We analyze the problem of boiling and surface evaporation of quark nuggets in the cosmological quark-hadron transition. Recently, it has been shown that QCD pairing modifies the stability properties of strange quark matter. More specifically, strange quark matter in a color-flavor locked state was found to be absolutely stable for a much wider range of the parameters than ordinary unpaired strange quark matter (G. Lugones and J. E. Horvath, Phys. Rev. D, 66, 074017 (2002)). Assuming that primordial quark nuggets are actually formed we analyze the consequences of pairing on the rates of boiling and surface evaporation in order to determine whether they could have survived.

  2. 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.

  3. 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.

  4. Orbital Debris: A Policy Perspective

    NASA Technical Reports Server (NTRS)

    Johnson, Nicholas L.

    2007-01-01

    A viewgraph presentation describing orbital debris from a policy perspective is shown. The contents include: 1) Voyage through near-Earth Space-animation; 2) What is Orbital Debris?; 3) Orbital Debris Detectors and Damage Potential; 4) Hubble Space Telescope; 5) Mir Space Station Solar Array; 6) International Space Station; 7) Space Shuttle; 8) Satellite Explosions; 9) Satellite Collisions; 10) NASA Orbital Debris Mitigation Guidelines; 11) International Space Station Jettison Policy; 12) Controlled/Uncontrolled Satellite Reentries; 13) Return of Space Objects; 14) Orbital Debris and U.S. National Space Policy; 15) U.S Government Policy Strategy; 16) Bankruptcy of the Iridium Satellite System; 17) Inter-Agency Space Debris Coordination Committee (IADC); 18) Orbital Debris at the United Nations; 19) Chinese Anti-satellite System; 20) Future Evolution of Satellite Population; and 21) Challenge of Orbital Debris

  5. LADEE in Lunar Orbit

    NASA Image and Video Library

    2013-09-04

    An artist's concept showing the Lunar Atmosphere and Dust Environment Explorer (LADEE) spacecraft is seen orbiting the moon as it prepares to fire its maneuvering thrusters to maintain a safe orbital altitude. Credit: NASA Ames / Dana Berry ----- What is LADEE? The Lunar Atmosphere and Dust Environment Explorer (LADEE) is designed to study the Moon's thin exosphere and the lunar dust environment. An "exosphere" is an atmosphere that is so thin and tenuous that molecules don't collide with each other. Studying the Moon's exosphere will help scientists understand other planetary bodies with exospheres too, like Mercury and some of Jupiter's bigger moons. The orbiter will determine the density, composition and temporal and spatial variability of the Moon's exosphere to help us understand where the species in the exosphere come from and the role of the solar wind, lunar surface and interior, and meteoric infall as sources. The mission will also examine the density and temporal and spatial variability of dust particles that may get lofted into the atmosphere. The mission also will test several new technologies, including a modular spacecraft bus that may reduce the cost of future deep space missions and demonstrate two-way high rate laser communication for the first time from the Moon. LADEE now is ready to launch when the window opens on Sept. 6, 2013. Read more: www.nasa.gov/ladee NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

  6. Missing energies at pair creation

    NASA Technical Reports Server (NTRS)

    El-Ela, A. A.; Hassan, S.; Bagge, E. R.

    1985-01-01

    Wilson cloud chamber measurements of the separated spectra of positrons and electrons produced by gamma quanta of 6.14 MeV differ considerably from the theoretically predicted spectra by BETHE and HEITLER, but are in good agreement with those of a modified theory of pair creation.

  7. Pairing Linguistic and Music Intelligences

    ERIC Educational Resources Information Center

    DiEdwardo, MaryAnn Pasda

    2005-01-01

    This article describes how music in the language classroom setting can be a catalyst for developing reading, writing, and understanding skills. Studies suggest that pairing music and linguistic intelligences in the college classroom improves students' grades and abilities to compose theses statements for research papers in courses that emphasize…

  8. Current orbital debris environment

    NASA Technical Reports Server (NTRS)

    Kessler, Donald J.

    1989-01-01

    NASA has instituted a plan for the definition of activities and resources required over the coming decade for the deepening of current understanding of anthropogenic orbital debris, and its effects on future mission operations. This understanding will be the basis of policy definition and policy implementation efforts. The most immediate requirement is the definition of the debris environment, with emphasis on data for debris sizes smaller than 4 cm. Systems-damage criteria and hypervelocity-impact theory will then be used to define the hazard to specific spacecraft.

  9. Lunar Exploration Orbiter (LEO)

    NASA Astrophysics Data System (ADS)

    Jaumann, R.; Spohn, T.; Hiesinger, H.; Jessberger, E. K.; Neukum, G.; Oberst, J.; Helbert, J.; Christensen, U.; Keller, H. U.; Mall, U.; Böhnhardt, H.; Hartogh, P.; Glassmeier, K.-H.; Auster, H.-U.; Moreira, A.; Werner, M.; Pätzold, M.; Palme, H.; Wimmer-Schweingruber, R.; Mandea, M.; Lesur, V.; Häusler, B.; Hördt, A.; Eichentopf, K.; Hauber, E.; Hoffmann, H.; Köhler, U.; Kührt, E.; Michaelis, H.; Pauer, M.; Sohl, F.; Denk, T.; van Gasselt, S.

    2007-08-01

    The Moon is an integral part of the Earth-Moon system, it is a witness to more than 4.5 b. y. of solar system history, and it is the only planetary body except Earth for which we have samples from known locations. The Moon is our closest companion and can easily be reached from Earth at any time, even with a relatively modest financial budget. Consequently, the Moon was the first logical step in the exploration of our solar system before we pursued more distant targets such as Mars and beyond. The vast amount of knowledge gained from the Apollo and other lunar missions of the late 1960's and early 1970's demonstrates how valuable the Moon is for the understanding of our planetary system. Even today, the Moon remains an extremely interesting target scientifically and technologically, as ever since, new data have helped to address some of our questions about the Earth-Moon system, many questions remained. Therefore, returning to the Moon is the critical stepping-stone to further exploring our immediate planetary neighborhood. In this concept study, we present scientific and technological arguments for a national German lunar mission, the Lunar Explorations Orbiter (LEO). Numerous space-faring nations have realized and identified the unique opportunities related to lunar exploration and have planned missions to the Moon within the next few years. Among these missions, LEO will be unique, because it will globally explore the Moon in unprecedented spatial and spectral resolution. LEO will significantly improve our understanding of the lunar surface composition, surface ages, mineralogy, physical properties, interior, thermal history, gravity field, regolith structure, and magnetic field. The Lunar Explorations Orbiter will carry an entire suite of innovative, complementary technologies, including high-resolution camera systems, several spectrometers that cover previously unexplored parts of the electromagnetic spectrum over a broad range of wavelengths, microwave and

  10. 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.

  11. 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.

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

    SciTech Connect

    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

  13. 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

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

    SciTech Connect

    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

  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. Pairing versus quarteting coherence length

    NASA Astrophysics Data System (ADS)

    Delion, D. S.; Baran, V. V.

    2015-02-01

    We systematically analyze the coherence length in even-even nuclei. The pairing coherence length in the spin-singlet channel for the effective density-dependent delta (DDD) and Gaussian interaction is estimated. We consider in our calculations bound states as well as narrow resonances. It turns out that the pairing gaps given by the DDD interaction are similar to those of the Gaussian potential if one renormalizes the radial width to the nuclear radius. The correlations induced by the pairing interaction have, in all considered cases, a long-range character inside the nucleus and a decrease towards the surface. The mean coherence length is larger than the geometrical radius for light nuclei and approaches this value for heavy nuclei. The effect of the temperature and states in the continuum is investigated. Strong shell effects are put in evidence, especially for protons. We generalize this concept to quartets by considering similar relations, but between proton and neutron pairs. The quartet coherence length has a similar shape, but with larger values on the nuclear surface. We provide evidence of the important role of proton-neutron correlations by estimating the so-called alpha coherence length, which takes into account the overlap with the proton-neutron part of the α -particle wave function. It turns out that it does not depend on the nuclear size and has a value comparable to the free α -particle radius. We have shown that pairing correlations are mainly concentrated inside the nucleus, while quarteting correlations are connected to the nuclear surface.

  17. 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.

  18. 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.

  19. 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

  20. Orbital construction demonstration study

    NASA Technical Reports Server (NTRS)

    1976-01-01

    A conceptual design and program plan for an Orbital Construction Demonstration Article (OCDA) was developed that can be used for evaluating and establishing practical large structural assembly operations. A flight plan for initial placement and continued utility is presented as a basic for an entirely new shuttle payload line-item having great future potential benefit for space applications. The OCDA is a three-axis stabilized platform in low-earth orbit with many structural nodals for mounting large construction and fabrication equipments. This equipment would be used to explore methods for constructing the large structures for future missions. The OCDA would be supported at regular intervals by the shuttle. Construction experiments and consumables resupply are performed during shuttle visit periods. A 250 kw solar array provides sufficient power to support the shuttle while attached to the OCDA and to run construction experiments at the same time. Wide band communications with a Telemetry and Data Relay Satellite compatible high gain antenna can be used between shuttle revisits to perform remote controlled, TV assisted construction experiments.

  1. Smartphone Photos From Orbit

    NASA Image and Video Library

    2017-12-08

    These images of Earth were reconstructed from photos taken by three smartphones in orbit, or "PhoneSats." The trio of PhoneSats launched on April 21, 2013, aboard the Antares rocket from NASA's Wallops Flight Facility and ended a successful mission on April 27. The ultimate goal of the PhoneSat mission was to determine whether a consumer-grade smartphone can be used as the main flight avionics for a satellite in space. During their time in orbit, the three miniature satellites used their smartphone cameras to take pictures of Earth and transmitted these "image-data packets" to multiple ground stations. Every packet held a small piece of the big picture. As the data became available, the PhoneSat Team and multiple amateur radio operators around the world collaborated to piece together photographs from the tiny data packets. Read more: 1.usa.gov/ZsWnQG Credit: NASA/Ames NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. General view of the Orbiter Discovery in the Orbiter Processing ...

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

    General view of the Orbiter Discovery in the Orbiter Processing Facility at Kennedy Space Center showing the payload bay doors open exposing the heat-dissipating radiator panels located on the inside of the payload bay doors. Also in the view is the boom portion of the boom sensor system deployed as part of the return to flight procedures after STS-107 to inspect the orbiter's thermal protection system. The Remote Manipulator System, the "Canadarm", and the airlock are seen in the background of the image. - Space Transportation System, Orbiter Discovery (OV-103), Lyndon B. Johnson Space Center, 2101 NASA Parkway, Houston, Harris County, TX

  7. 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.

  8. Orbital State Uncertainty Realism

    NASA Astrophysics Data System (ADS)

    Horwood, J.; Poore, A. B.

    2012-09-01

    Fundamental to the success of the space situational awareness (SSA) mission is the rigorous inclusion of uncertainty in the space surveillance network. The *proper characterization of uncertainty* in the orbital state of a space object is a common requirement to many SSA functions including tracking and data association, resolution of uncorrelated tracks (UCTs), conjunction analysis and probability of collision, sensor resource management, and anomaly detection. While tracking environments, such as air and missile defense, make extensive use of Gaussian and local linearity assumptions within algorithms for uncertainty management, space surveillance is inherently different due to long time gaps between updates, high misdetection rates, nonlinear and non-conservative dynamics, and non-Gaussian phenomena. The latter implies that "covariance realism" is not always sufficient. SSA also requires "uncertainty realism"; the proper characterization of both the state and covariance and all non-zero higher-order cumulants. In other words, a proper characterization of a space object's full state *probability density function (PDF)* is required. In order to provide a more statistically rigorous treatment of uncertainty in the space surveillance tracking environment and to better support the aforementioned SSA functions, a new class of multivariate PDFs are formulated which more accurately characterize the uncertainty of a space object's state or orbit. The new distribution contains a parameter set controlling the higher-order cumulants which gives the level sets a distinctive "banana" or "boomerang" shape and degenerates to a Gaussian in a suitable limit. Using the new class of PDFs within the general Bayesian nonlinear filter, the resulting filter prediction step (i.e., uncertainty propagation) is shown to have the *same computational cost as the traditional unscented Kalman filter* with the former able to maintain a proper characterization of the uncertainty for up to *ten

  9. Lunar Reconnaissance Orbiter

    NASA Astrophysics Data System (ADS)

    Morgan, T.; Chin, G.

    2007-08-01

    NASA's Lunar Reconnaissance Orbiter (LRO) plans to launch in October 2008 with a companion secondary impactor mission, LCROSS, as the inaugural missions for the Exploration System Mission Directorate. LRO is a pathfinder whose objective is to obtain the needed information to prepare for eventual human return to the Moon. LRO will undertake at least one baseline year of operation with additional extended mission phase sponsored by NASA's Science Mission Directorate. LRO will employ six individual instruments to produce accurate maps and high-resolution images of future landing sites, to assess potential lunar resources, and to characterize the radiation environment. LRO will also test the feasibility of one advanced technology demonstration package. The LRO payload includes: Lunar Orbiter Laser Altimeter (LOLA) which will determine the global topography of the lunar surface at high resolution, measure landing site slopes, surface roughness, and search for possible polar surface ice in shadowed regions; Lunar Reconnaissance Orbiter Camera (LROC) which will acquire targeted narrow angle images of the lunar surface capable of resolving meter-scale features to support landing site selection, as well as wide-angle images to characterize polar illumination conditions and to identify potential resources; Lunar Exploration Neutron Detector (LEND) which will map the flux of neutrons from the lunar surface to search for evidence of water ice, and will provide space radiation environment measurements that may be useful for future human exploration; Diviner Lunar Radiometer Experiment (DLRE) which will chart the temperature of the entire lunar surface at approximately 300 meter horizontal resolution to identify cold-traps and potential ice deposits; Lyman-Alpha Mapping Project (LAMP) which will map the entire lunar surface in the far ultraviolet. LAMP will search for surface ice and frost in the polar regions and provide images of permanently shadowed regions illuminated only

  10. Mechanical systems with closed orbits on manifolds of revolution

    SciTech Connect

    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.

  11. Pair plasma relaxation time scales.

    PubMed

    Aksenov, A G; Ruffini, R; Vereshchagin, G V

    2010-04-01

    By numerically solving the relativistic Boltzmann equations, we compute the time scale for relaxation to thermal equilibrium for an optically thick electron-positron plasma with baryon loading. We focus on the time scales of electromagnetic interactions. The collisional integrals are obtained directly from the corresponding QED matrix elements. Thermalization time scales are computed for a wide range of values of both the total-energy density (over 10 orders of magnitude) and of the baryonic loading parameter (over 6 orders of magnitude). This also allows us to study such interesting limiting cases as the almost purely electron-positron plasma or electron-proton plasma as well as intermediate cases. These results appear to be important both for laboratory experiments aimed at generating optically thick pair plasmas as well as for astrophysical models in which electron-positron pair plasmas play a relevant role.

  12. 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.

  13. 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.

  14. 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.

  15. Precise Orbit Determination for ALOS

    NASA Technical Reports Server (NTRS)

    Nakamura, Ryo; Nakamura, Shinichi; Kudo, Nobuo; Katagiri, Seiji

    2007-01-01

    The Advanced Land Observing Satellite (ALOS) has been developed to contribute to the fields of mapping, precise regional land coverage observation, disaster monitoring, and resource surveying. Because the mounted sensors need high geometrical accuracy, precise orbit determination for ALOS is essential for satisfying the mission objectives. So ALOS mounts a GPS receiver and a Laser Reflector (LR) for Satellite Laser Ranging (SLR). This paper deals with the precise orbit determination experiments for ALOS using Global and High Accuracy Trajectory determination System (GUTS) and the evaluation of the orbit determination accuracy by SLR data. The results show that, even though the GPS receiver loses lock of GPS signals more frequently than expected, GPS-based orbit is consistent with SLR-based orbit. And considering the 1 sigma error, orbit determination accuracy of a few decimeters (peak-to-peak) was achieved.

  16. 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.

  17. Leg pairs as virtual wheels

    NASA Astrophysics Data System (ADS)

    Howe, Russel; Duttweiler, Mark; Khanlian, Luke; Setrakian, Mark

    2005-05-01

    We propose the use of virtual wheels as the starting point of a new vehicle design. Each virtual wheel incorporates a pair of simple legs that, by simulating the rotary motion and ground contact of a traditional wheel, combine many of the benefits of legged and wheeled motion. We describe the use of virtual wheels in the design of a robotic mule, presenting an analysis of the mule's mobility the results of our efforts to model and build such a device.

  18. Asymmetric Ion-Pairing Catalysis

    PubMed Central

    Brak, Katrien

    2014-01-01

    Charged intermediates and reagents are ubiquitous in organic transformations. The interaction of these ionic species with chiral neutral, anionic, or cationic small molecules has emerged as a powerful strategy for catalytic, enantioselective synthesis. This review describes developments in the burgeoning field of asymmetric ion-pairing catalysis with an emphasis on the insights that have been gleaned into the structural and mechanistic features that contribute to high asymmetric induction. PMID:23192886

  19. 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.

  20. Antares Orbital ATK-8 Mission

    NASA Image and Video Library

    2017-11-09

    This long exposure photograph shows the Orbital ATK Antares rocket, with the Cygnus spacecraft onboard, being raised into the vertical position on launch Pad-0A, Thursday, Nov. 9, 2017 at NASA's Wallops Flight Facility in Virginia. Orbital ATK’s eighth contracted cargo resupply mission with NASA to the International Space Station will deliver over 7,400 pounds of science and research, crew supplies and vehicle hardware to the orbital laboratory and its crew. Photo Credit: (NASA/Bill Ingalls)

  1. Orbital eccentricity in classical novae

    NASA Technical Reports Server (NTRS)

    Edwards, D. A.; Pringle, J. E.

    1987-01-01

    The effect on the orbital parameters of a classical nova of the ejection of mass during the nova explosion is considered. The most easily observable consequence is the generation of a small eccentricity in the orbit which leads to a luminosity modulation at a period just longer than the orbital period. Observation of such an effect would have implications not just for interpreting the dynamics of the explosion but also for measuring the secular effect of tidal interaction after the outburst.

  2. Magellan Orbit Artist Concept

    NASA Image and Video Library

    1990-08-10

    An artist's concept of the Magellan spacecraft making a radar map of Venus. Magellan mapped 98 percent of Venus' surface at a resolution of 100 to 150 meters (about the length of a football or soccer field), using synthetic aperture radar, a technique that simulates the use of a much larger radar antenna. It found that 85 percent of the surface is covered with volcanic flows and showed evidence of tectonic movement, turbulent surface winds, lava channels and pancake-shaped domes. Magellan also produced high-resolution gravity data for 95 percent of the planet and tested a new maneuvering technique called aerobraking, using atmospheric drag to adjust its orbit. The spacecraft was commanded to plunge into Venus' atmosphere in 1994 as part of a final experiment to gather atmospheric data. http://photojournal.jpl.nasa.gov/catalog/PIA18175

  3. Orbital science's 'Bermuda Triangle'

    NASA Astrophysics Data System (ADS)

    Sherrill, Thomas J.

    1991-02-01

    The effects of a part of the inner Van Allen belt lying closest to the earth, known as the South Atlantic Anomaly (SAA) upon spacecraft including the Hubble Space Telescope (HST), are discussed. The area consists of positively charged ions and electrons from the Van Allen Belt which become trapped in the earth's dipole field. Contor maps representing the number of protons per square centimeter per second having energies greater than 10 million electron volts are presented. It is noted that the HST orbit causes it to spend about 15 percent of its time in the SAA, but that, unlike the experience with earlier spacecraft, the satellite's skin, internal structure, and normal electronic's packaging provides sufficient protection against eletrons, although some higher energy protons still get through. Various charged particle effects which can arise within scientific instruments including fluorescence, Cerenkov radiation, and induced radioactivity are described.

  4. Geology orbiter comparison study

    NASA Technical Reports Server (NTRS)

    Cutts, J. A. J.; Blasius, K. R.; Davis, D. R.; Pang, K. D.; Shreve, D. C.

    1977-01-01

    Instrument requirements of planetary geology orbiters were examined with the objective of determining the feasibility of applying standard instrument designs to a host of terrestrial targets. Within the basic discipline area of geochemistry, gamma-ray, X-ray fluorescence, and atomic spectroscopy remote sensing techniques were considered. Within the discipline area of geophysics, the complementary techniques of gravimetry and radar were studied. Experiments using these techniques were analyzed for comparison at the Moon, Mercury, Mars and the Galilean satellites. On the basis of these comparative assessments, the adaptability of each sensing technique was judged as a basic technique for many targets, as a single instrument applied to many targets, as a single instrument used in different mission modes, and as an instrument capability for nongeoscience objectives.

  5. TOPEX orbital radiation study

    NASA Technical Reports Server (NTRS)

    Stassinopoulos, E. G.; Barth, J. M.

    1984-01-01

    The space radiation environment of the TOPEX spacecraft is investigated. A single trajectory was considered. The external (surface incident) charged particle radiation, predicted for the satellite, is determined by orbital flux integration for the specified trajectory. The latest standard models of the environment are used in the calculations. The evaluation is performed for solar maximum conditions. The spacecraft exposure to cosmic rays of galactic origin is evaluated over its flight path through the magnetosphere in terms of geomagnetic shielding effects, both for surface incident heavy ions and for particles emerging behind different material thickness. Limited shielding and dose evaluations are performed for simple infinite slab and spherical geometries. Results, given in graphical and tabular form, are analyzed, explained, and discussed. Conclusions are presented and commented on.

  6. Skylab Orbiter Workshop Illustration

    NASA Technical Reports Server (NTRS)

    1972-01-01

    This cutaway illustration shows the characteristics and basic elements of the Skylab Orbiter Workshop (OWS). The OWS was divided into two major compartments. The lower level provided crew accommodations for sleeping, food preparation and consumption, hygiene, waste processing and disposal, and performance of certain experiments. The upper level consisted of a large work area and housed water storage tanks, a food freezer, storage vaults for film, scientific airlocks, mobility and stability experiment equipment, and other experimental equipment. The compartment below the crew quarters was a container for liquid and solid waste and trash accumulated throughout the mission. A solar array, consisting of two wings covered on one side with solar cells, was mounted outside the workshop to generate electrical power to augment the power generated by another solar array mounted on the solar observatory. Thrusters were provided at one end of the workshop for short-term control of the attitude of the space station.

  7. Calculating Trajectories And Orbits

    NASA Technical Reports Server (NTRS)

    Alderson, Daniel J.; Brady, Franklyn H.; Breckheimer, Peter J.; Campbell, James K.; Christensen, Carl S.; Collier, James B.; Ekelund, John E.; Ellis, Jordan; Goltz, Gene L.; Hintz, Gerarld R.; hide

    1989-01-01

    Double-Precision Trajectory Analysis Program, DPTRAJ, and Orbit Determination Program, ODP, developed and improved over years to provide highly reliable and accurate navigation capability for deep-space missions like Voyager. Each collection of programs working together to provide desired computational results. DPTRAJ, ODP, and supporting utility programs capable of handling massive amounts of data and performing various numerical calculations required for solving navigation problems associated with planetary fly-by and lander missions. Used extensively in support of NASA's Voyager project. DPTRAJ-ODP available in two machine versions. UNIVAC version, NPO-15586, written in FORTRAN V, SFTRAN, and ASSEMBLER. VAX/VMS version, NPO-17201, written in FORTRAN V, SFTRAN, PL/1 and ASSEMBLER.

  8. Orbit Determination Toolbox

    NASA Technical Reports Server (NTRS)

    Carpenter, James R.; Berry, Kevin; Gregpru. Late; Speckman, Keith; Hur-Diaz, Sun; Surka, Derek; Gaylor, Dave

    2010-01-01

    The Orbit Determination Toolbox is an orbit determination (OD) analysis tool based on MATLAB and Java that provides a flexible way to do early mission analysis. The toolbox is primarily intended for advanced mission analysis such as might be performed in concept exploration, proposal, early design phase, or rapid design center environments. The emphasis is on flexibility, but it has enough fidelity to produce credible results. Insight into all flight dynamics source code is provided. MATLAB is the primary user interface and is used for piecing together measurement and dynamic models. The Java Astrodynamics Toolbox is used as an engine for things that might be slow or inefficient in MATLAB, such as high-fidelity trajectory propagation, lunar and planetary ephemeris look-ups, precession, nutation, polar motion calculations, ephemeris file parsing, and the like. The primary analysis functions are sequential filter/smoother and batch least-squares commands that incorporate Monte-Carlo data simulation, linear covariance analysis, measurement processing, and plotting capabilities at the generic level. These functions have a user interface that is based on that of the MATLAB ODE suite. To perform a specific analysis, users write MATLAB functions that implement truth and design system models. The user provides his or her models as inputs to the filter commands. The software provides a capability to publish and subscribe to a software bus that is compliant with the NASA Goddard Mission Services Evolution Center (GMSEC) standards, to exchange data with other flight dynamics tools to simplify the flight dynamics design cycle. Using the publish and subscribe approach allows for analysts in a rapid design center environment to seamlessly incorporate changes in spacecraft and mission design into navigation analysis and vice versa.

  9. Accelerated testing for synchronous orbits

    NASA Technical Reports Server (NTRS)

    Mcdermott, P.

    1981-01-01

    Degradation of batteries during synchronous orbits is analyzed. Discharge and recharge rates are evaluated. The functional relationship between charge rate and degradation is mathematically determined.

  10. Orbit Alignment in Triple Stars

    NASA Astrophysics Data System (ADS)

    Tokovinin, Andrei

    2017-08-01

    The statistics of the angle Φ between orbital angular momenta in hierarchical triple systems with known inner visual or astrometric orbits are studied. A correlation between apparent revolution directions proves the partial orbit alignment known from earlier works. The alignment is strong in triples with outer projected separation less than ˜50 au, where the average Φ is about 20^\\circ . In contrast, outer orbits wider than 1000 au are not aligned with the inner orbits. It is established that the orbit alignment decreases with the increasing mass of the primary component. The average eccentricity of inner orbits in well-aligned triples is smaller than in randomly aligned ones. These findings highlight the role of dissipative interactions with gas in defining the orbital architecture of low-mass triple systems. On the other hand, chaotic dynamics apparently played a role in shaping more massive hierarchies. The analysis of projected configurations and triples with known inner and outer orbits indicates that the distribution of Φ is likely bimodal, where 80% of triples have {{Φ }}< 70^\\circ and the remaining ones are randomly aligned.

  11. Orbiter utilization as an ACRV

    NASA Technical Reports Server (NTRS)

    Cruz, Jonathan N.; Heck, Michael L.; Kumar, Renjith R.; Mazanek, Daniel D.; Troutman, Patrick A.

    1990-01-01

    Assuming that a Shuttle Orbiter could be qualified to serve long duration missions attached to Space Station Freedom in the capacity as an Assured Crew Return Vehicle (ACRV), a study was conducted to identify and examine candidate attach locations. Baseline, modified hardware, and new hardware design configurations were considered. Dual simultaneous Orbiter docking accommodation were required. Resulting flight characteristics analyzed included torque equilibrium attitude (TEA), microgravity environment, attitude controllability, and reboost fuel requirements. The baseline Station could not accommodate two Orbiters. Modified hardware configurations analyzed had large TEA's. The utilization of an oblique docking mechanism best accommodated an Orbiter as an ACRV.

  12. OSO-6 Orbiting Solar Observatory

    NASA Technical Reports Server (NTRS)

    1972-01-01

    The description, development history, test history, and orbital performance analysis of the OSO-6 Orbiting Solar Observatory are presented. The OSO-6 Orbiting Solar Observatory was the sixth flight model of a series of scientific spacecraft designed to provide a stable platform for experiments engaged in the collection of solar and celestial radiation data. The design objective was 180 days of orbital operation. The OSO-6 has telemetered an enormous amount of very useful experiment and housekeeping data to GSFC ground stations. Observatory operation during the two-year reporting period was very successful except for some experiment instrument problems.

  13. 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

  14. 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.

  15. 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.

  16. Spacecraft Robustness to Orbital Debris: Guidelines & Recommendations

    NASA Astrophysics Data System (ADS)

    Heinrich, S.; Legloire, D.; Tromba, A.; Tholot, M.; Nold, O.

    2013-09-01

    The ever increasing number of orbital debris has already led the space community to implement guidelines and requirements for "cleaner" and "safer" space operations as non-debris generating missions and end of mission disposal in order to get preserved orbits rid of space junks. It is nowadays well-known that man-made orbital debris impacts are now a higher threat than natural micro-meteoroids and that recent events intentionally or accidentally generated so many new debris that may initiate a cascade chain effect known as "the Kessler Syndrome" potentially jeopardizing the useful orbits.The main recommendations on satellite design is to demonstrate an acceptable Probability of Non-Penetration (PNP) with regard to small population (<5cm) of MMOD (Micro-Meteoroids and Orbital Debris). Compliance implies to think about spacecraft robustness as redundancies, segregations and shielding devices (as implemented in crewed missions but in a more complex mass - cost - criticality trade- off). Consequently the need is non-only to demonstrate the PNP compliance requirement but also the PNF (probability of Non-Failure) per impact location on all parts of the vehicle and investigate the probabilities for the different fatal scenarios: loss of mission, loss of spacecraft (space environment critical) and spacecraft fragmentation (space environment catastrophic).The recent THALES experience known on ESA Sentinel-3, of increasing need of robustness has led the ALTRAN company to initiate an internal innovative working group on those topics which conclusions may be attractive for their prime manufacturer customers.The intention of this paper is to present a status of this study : * Regulations, requirements and tools available * Detailed FMECA studies dedicated specifically to the MMOD risks with the introduction of new of probability and criticality classification scales. * Examples of design risks assessment with regard to the specific MMOD impact risks. * Lessons learnt on

  17. Intermolecular orbital interaction in π systems

    NASA Astrophysics Data System (ADS)

    Zhao, Rundong; Zhang, Rui-Qin

    2018-04-01

    Intermolecular interactions, in regard to which people tend to emphasise the noncovalent van der Waals (vdW) forces when conducting investigations throughout chemistry, can influence the structure, stability and function of molecules and materials. Despite the ubiquitous nature of vdW interactions, a simplified electrostatic model has been popularly adopted to explain common intermolecular interactions, especially those existing in π-involved systems. However, this classical model has come under fire in revealing specific issues such as substituent effects, due to its roughness; and it has been followed in past decades by sundry explanations which sometimes bring in nebulous descriptions. In this account, we try to summarise and present a unified model for describing and analysing the binding mechanism of such systems from the viewpoint of energy decomposition. We also emphasise a commonly ignored factor - orbital interaction, pointing out that the noncovalent intermolecular orbital interactions actually exhibit similar bonding and antibonding phenomena as those in covalent bonds.

  18. 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.

  19. Transfer and capture into distant retrograde orbits

    NASA Astrophysics Data System (ADS)

    Scott, Christopher J.

    collision orbits within the highly chaotic region commonly recognized as a saddle point on the energy manifold. The pragmatic techniques derived from this analysis solve a number of complications apparent in the literature. Notably a reliable methodology for the construction of an arbitrary number of transfer orbits circumvents the requirement of computing specialized periodic orbits or extensive numerical sampling of the phase space. The procedure provides a complete description of the design space accessing a wide range of distant retrograde orbits sizes, insertion points, and parking orbit altitudes in an automated manner. The transfers are studied in a similar fashion to periodic orbits unveiling the intimate relationship among design parameters and phase space structure. An arbitrary number of Earth return periodic orbits can be generated as a by-product. These orbits may be useful for spacecraft that must make a number of passes near the second primary without a reduction in energy. Further analysis of the lobe dynamics and a modification of the transfers to the center of the stable region yields sets of single impulse transfers to sticky distant retrograde orbits. It is shown that the evolution of the phase space structures with energy corresponds to the variation of capture time and target size. Capture phenomenon is related to the stability characteristics of the unstable periodic orbit and the geometry of the corresponding homoclinic tangle at various energies. Future spacecraft with little or no propulsive means may take advantage of these natural trajectories for operations in the region. Temporary capture along a sticky orbit may come before incremental stabilization of the spacecraft by way of a series of small impulsive or a low continuous thrust maneuvers. The requirements of small stabilization maneuver are calculated and compared to a direct transfer to the center of stable region. This mission design may be desirable as any failure in the classic set of

  20. PyORBIT: A Python Shell For ORBIT

    SciTech Connect

    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

  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. 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

  3. 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.

  4. 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.

  5. Interacting preformed Cooper pairs in resonant Fermi gases

    SciTech Connect

    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

  6. 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.

  7. Low Earth Orbiter: Terminal

    NASA Technical Reports Server (NTRS)

    Kremer, Steven E.; Bundick, Steven N.

    1999-01-01

    In response to the current government budgetary environment that requires the National Aeronautics and Space Administration (NASA) to do more with less, NASA/Goddard Space Flight Center's Wallops Flight Facility has developed and implemented a class of ground stations known as a Low Earth Orbiter-Terminal (LEO-T). This development thus provides a low-cost autonomous ground tracking service for NASA's customers. More importantly, this accomplishment provides a commercial source to spacecraft customers around the world to purchase directly from the company awarded the NASA contract to build these systems. A few years ago, NASA was driven to provide more ground station capacity for spacecraft telemetry, tracking, and command (TT&C) services with a decreasing budget. NASA also made a decision to develop many smaller, cheaper satellites rather than a few large spacecraft as done in the past. In addition, university class missions were being driven to provide their own TT&C services due to the increasing load on the NASA ground-tracking network. NASA's solution for this ever increasing load was to use the existing large aperture systems to support those missions requiring that level of performance and to support the remainder of the missions with the autonomous LEO-T systems. The LEO-T antenna system is a smaller, cheaper, and fully autonomous unstaffed system that can operate without the existing NASA support infrastructure. The LEO-T provides a low-cost, reliable space communications service to the expanding number of low-earth orbiting missions around the world. The system is also fostering developments that improve cost-effectiveness of autonomous-class capabilities for NASA and commercial space use. NASA has installed three LEO-T systems. One station is at the University of Puerto Rico, the second system is installed at the Poker Flat Research Range near Fairbanks, Alaska, and the third system is installed at NASA's Wallops Flight Facility in Virginia. This paper

  8. Deputy Admin. Tours Orbital Sciences

    NASA Image and Video Library

    2011-01-11

    NASA Deputy Administrator Lori Garver, left, and White House Office of Science and Technology Chief of Staff Jim Kohlenberger, right, listen to Mr. David W. Thompson, Chairman and Chief Executive Officer Orbital Sciences Corporation as he gives a tour of the Orbital Sciences facilities on Tuesday, Jan. 11, 2011 in Dulles, VA. Photo Credit: (NASA/Bill Ingalls)

  9. Static Orbits in Rotating Spacetimes

    NASA Astrophysics Data System (ADS)

    Collodel, Lucas G.; Kleihaus, Burkhard; Kunz, Jutta

    2018-05-01

    We show that under certain conditions an axisymmetric rotating spacetime contains a ring of points in the equatorial plane, where a particle at rest with respect to an asymptotic static observer remains at rest in a static orbit. We illustrate the emergence of such orbits for boson stars. Further examples are wormholes, hairy black holes, and Kerr-Newman solutions.

  10. Management of complex orbital fractures.

    PubMed

    Bhatti, N; Kanzaria, A; Huxham-Owen, N; Bridle, C; Holmes, S

    2016-09-01

    The treatment of orbital injuries has evolved considerably over the last two decades. We describe strategies involved in the emergency management of orbital injuries, the use of imaging, preformed and customised materials for reconstruction, and endoscopic techniques. Copyright © 2016 The British Association of Oral and Maxillofacial Surgeons. Published by Elsevier Ltd. All rights reserved.

  11. Infected orbital cyst following exenteration.

    PubMed

    Barak, A; Hirsh, A; Rosner, M; Rosen, N

    1996-09-01

    An orbital cyst is a rare complication of orbital trauma and exenteration. Infections of such cysts have not been described, and are potentially dangerous unless treated immediately. The authors describe a case of delayed treatment of such an infected cyst, which resolved following surgical drainage. The potentially hazardous outcome makes knowledge of such cases important.

  12. 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

  13. Orbiter Camera Payload System

    NASA Technical Reports Server (NTRS)

    1980-01-01

    Components for an orbiting camera payload system (OCPS) include the large format camera (LFC), a gas supply assembly, and ground test, handling, and calibration hardware. The LFC, a high resolution large format photogrammetric camera for use in the cargo bay of the space transport system, is also adaptable to use on an RB-57 aircraft or on a free flyer satellite. Carrying 4000 feet of film, the LFC is usable over the visible to near IR, at V/h rates of from 11 to 41 milliradians per second, overlap of 10, 60, 70 or 80 percent and exposure times of from 4 to 32 milliseconds. With a 12 inch focal length it produces a 9 by 18 inch format (long dimension in line of flight) with full format low contrast resolution of 88 lines per millimeter (AWAR), full format distortion of less than 14 microns and a complement of 45 Reseau marks and 12 fiducial marks. Weight of the OCPS as supplied, fully loaded is 944 pounds and power dissipation is 273 watts average when in operation, 95 watts in standby. The LFC contains an internal exposure sensor, or will respond to external command. It is able to photograph starfields for inflight calibration upon command.

  14. 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.

  15. Gas Planet Orbits

    NASA Image and Video Library

    2008-08-19

    Jupiter, Saturn, Uranus, and Neptune are known as the jovian Jupiter-like planets because they are all gigantic compared with Earth, and they have a gaseous nature. This diagram shows the approximate distance of the jovian planets from the Sun.

  16. 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.

  17. 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.

  18. 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.

  19. Orbital maneuvering end effectors

    NASA Technical Reports Server (NTRS)

    Myers, W. Neill (Inventor); Forbes, John C. (Inventor); Barnes, Wayne L. (Inventor)

    1986-01-01

    This invention relates to an end effector device for grasping and maneuvering objects such as berthing handles of a space telescope. The device includes a V-shaped capture window defined as inclined surfaces in parallel face plates which converge toward a retainer recess in which the handle is retained. A pivotal finger (30) meshes with a pair of pivoted fingers which rotate in counterrotation. The fingers rotate to pull a handle within the capture window into recess where latches lock handle in the recess. To align the capture window, plates may be cocked plus or minus five degrees on base. Drive means is included in the form of a motor coupled with a harmonic drive speed reducer, which provides for slow movement of the fingers at a high torque so that large articles may be handled. Novelty of the invention is believed to reside in the combined intermeshing finger structure, drive means and the harmonic drive speed reducer, which features provide the required maneuverability and strength.

  20. 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.

  1. Artist's Concept of the Orbiting Carbon Observatory

    NASA Technical Reports Server (NTRS)

    2008-01-01

    Artist's concept of the Orbiting Carbon Observatory. The mission, scheduled to launch in early 2009, will be the first spacecraft dedicated to studying atmospheric carbon dioxide, the principal human-produced driver of climate change. It will provide the first global picture of the human and natural sources of carbon dioxide and the places where this important greenhouse gas is stored. Such information will improve global carbon cycle models as well as forecasts of atmospheric carbon dioxide levels and of how our climate may change in the future.

  2. 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.

  3. 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 natural bases of nucleic acids have a strong preference for one tautomer form, guaranteeing fidelity in their hydrogen bonding potential. However, base pairs observed in recent crystal structures of polymerases and ribosomes are best explained by an alternative base tautomer, leading to the formation of base pairs with Watson-Crick-like geometries. These observations set limits to geometric selection in molecular recognition of complementary Watson-Crick pairs for fidelity in replication and translation processes. PMID:24765524

  4. Mab's orbital motion explained

    NASA Astrophysics Data System (ADS)

    Kumar, K.; de Pater, I.; Showalter, M. R.

    2015-07-01

    We explored the hypothesis that Mab's anomalous orbital motion, as deduced from Hubble Space Telescope (HST) data (Showalter, M.R., Lissauer, J.J. [2006]. Science (New York, NY) 311, 973-977), is the result of gravitational interactions with a putative suite of large bodies in the μ-ring. We conducted simulations to compute the gravitational effect of Mab (a recently discovered Uranian moon) on a cloud of test particles. Subsequently, by employing the data extracted from the test particle simulations, we executed random walk simulations to compute the back-reaction of nearby perturbers on Mab. By generating simulated observation metrics, we compared our results to the data retrieved from the HST. Our results indicate that the longitude residual change noted in the HST data (Δλr,Mab ≈ 1 deg) is well matched by our simulations. The eccentricity variations (ΔeMab ≈10-3) are however typically two orders of magnitude too small. We present a variety of reasons that could account for this discrepancy. The nominal scenario that we investigated assumes a perturber ring mass (mring) of 1 mMab (Mab's mass) and a perturber ring number density (ρn,ring) of 10 perturbers per 3 RHill,Mab (Mab's Hill radius). This effectively translates to a few tens of perturbers with radii of approximately 2-3 km, depending on the albedo assumed. The results obtained also include an interesting litmus test: variations of Mab's inclination on the order of the eccentricity changes should be observable. Our work provides clues for further investigation into the tantalizing prospect that the Mab/μ-ring system is undergoing re-accretion after a recent catastrophic disruption.

  5. Cassini orbiter arrives at SLF

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Workers prepare to tow away the large container with the Cassini orbiter from KSC's Shuttle Landing Facility. The orbiter just arrived on the U.S. Air Force C-17 air cargo plane, shown here, from Edwards Air Force Base, California. The orbiter and the Huygens probe already being processed at KSC are the two primary components of the Cassini spacecraft, which will be launched on a Titan IVB/Centaur expendable launch vehicle from Cape Canaveral Air Station. Cassini will explore Saturn, its rings and moons for four years. The Huygens probe, designed and developed for the European Space Agency (ESA), will be deployed from the orbiter to study the clouds, atmosphere and surface of Saturn's largest moon, Titan. The orbiter was designed and assembled at NASA's Jet Propulsion Laboratory in California. Following postflight inspections, integration of the 12 science instruments not already installed on the orbiter will be completed. Then, the parabolic high-gain antenna and the propulsion module will be mated to the orbiter, followed by the Huygens probe, which will complete spacecraft integration. The Cassini mission is targeted for an Oct. 6 launch to begin its 6.7-year journey to the Saturnian system. Arrival at the planet is expected to occur around July 1, 2004.

  6. Adult Orbital and Adnexal Xanthogranulomatous Disease.

    PubMed

    Davies, Michael J; Whitehead, Kevin; Quagliotto, Gary; Wood, Dominic; Patheja, Rajan S; Sullivan, Timothy J

    2017-01-01

    Adult xanthogranulomatous disease of the orbit and ocular adnexa is a rare disease that can cause serious morbidity and mortality. Ophthalmologists are commonly the first clinicians to come in contact with affected patients and an understanding of the clinical features is essential. We present a retrospective case series of patients seen in the oculoplastic unit of a large tertiary referral hospital over a 20-year period. The clinical files of 7 patients with adult xanthogranulomatous disease of the orbit and ocular adnexa were reviewed. Clinical, radiological, histopathological, and immunohistochemical findings were examined. Periocular clinical features included cutaneous xanthogranulomatous lesions, decreased visual acuity, proptosis, diplopia, skin ulceration, cicatricial ectropion, and mechanical ptosis. Systemic features included adult-onset asthma, disseminated xanthogranulomatous lesions with long bone involvement, and hematological disturbances such as monoclonal gammopathy and lymphoplasmacytic lymphoma. Lipid-laden macrophages and Touton multinucleated giant cells were histological hallmarks in all subtypes. Most lesions were strongly CD8 positive on immunohistochemistry. Radiologically, the lesions were diffuse and infiltrative in nature. Various treatments were employed with varying success including surgical excision, systemic and intralesional corticosteroids, other immunosuppressants, and systemic chemotherapy. Adult xanthogranulomatous disease of the orbit and ocular adnexa, although rare, may be sight or life threatening. Recognition by the ophthalmologist is critical as periocular features often constitute the initial presentation. Copyright 2017 Asia-Pacific Academy of Ophthalmology.

  7. 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.

  8. Orbital effects in cobaltites by neutron scattering

    NASA Astrophysics Data System (ADS)

    Louca, Despina

    2005-03-01

    The orbital degree of freedom can play a central role in the physics of transition metal perovskite oxides because of its intricate coupling with other degrees of freedom such as spin, charge and lattice. In this talk the case of La1-xSrxCoO3 will be presented. Using elastic and inelastic neutron scattering, we investigated the thermal evolution of the local atomic structure and lattice dynamics in the pure sample and with the addition of charge carriers as the system crosses over from a paramagnetic insulator to a ferromagnetic metal. In LaCoO3, the thermal activation of the Co ions from a nonmagnetic ground state to an intermediate spin state gives rise to orbital degeneracy. This leads to Jahn-Teller distortions that are dynamical in nature. Doping stabilizes the intermediate spin configuration of the Co ions in the paramagnetic insulating phase. Evidence for local static Jahn-Teller distortions is observed but without long-range ordering. The size of the JT lattice is proportional to the amount of charge. However, with cooling to the metallic phase, static JT distortions disappear for x <= 30 %, the percolation limit. This coincides with narrowing of two modes at φ=22,nd,4,eV in the phonon spectrum in which we argue is due to localized dynamical JT fluctuations^1. The implications of the orbital effects to the structural and magnetic properties will be discussed. ^1D. Louca and J. L. Sarrao, Phys. Rev. Lett. 91, 155501 (2003).

  9. 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.

  10. Individuation of Pairs of Objects in Infancy

    ERIC Educational Resources Information Center

    Leslie, Alan M.; Chen, Marian L.

    2007-01-01

    Looking-time studies examined whether 11-month-old infants can individuate two pairs of objects using only shape information. In order to test individuation, the object pairs were presented sequentially. Infants were familiarized either with the sequential pairs, disk-triangle/disk-triangle (XY/XY), whose shapes differed within but not across…

  11. Automatically pairing measured findings across narrative abdomen CT reports.

    PubMed

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

    2013-01-01

    Radiological measurements are one of the key variables in widely adopted guidelines (WHO, RECIST) that standardize and objectivize response assessment in oncology care. Measurements are typically described in free-text, narrative radiology reports. We present a natural language processing pipeline that extracts measurements from radiology reports and pairs them with extracted measurements from prior reports of the same clinical finding, e.g., lymph node or mass. A ground truth was created by manually pairing measurements in the abdomen CT reports of 50 patients. A Random Forest classifier trained on 15 features achieved superior results in an end-to-end evaluation of the pipeline on the extraction and pairing task: precision 0.910, recall 0.878, F-measure 0.894, AUC 0.988. Representing the narrative content in terms of UMLS concepts did not improve results. Applications of the proposed technology include data mining, advanced search and workflow support for healthcare professionals managing radiological measurements.

  12. Lost Chevalier Pairs - A Followup

    DTIC Science & Technology

    2012-01-01

    included only if they have been corrected in some manner. As a part of this check, new matches against 2MASS ( Cutrie et aL 2003) were made to the L...against 2MASS which instead found random faint pairs which agreed within search parameters. : In checking Berko’s matches, it was noticed that...CHE 1 000851.85+ 141505.7 11.0 13.2 1910.90 39.2 3.7 Che1910 00199+2633 CHE4 001956.81+263340.8 12.8 14.1 1998.02 204.0 4.16 2MASS 00204+2617 CHE6

  13. [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

  14. Orbital, Rotational, and Climatic Interactions

    NASA Technical Reports Server (NTRS)

    Bills, Bruce G. (Editor)

    1992-01-01

    The report of an international meeting on the topic of Orbital, Rotational, and Climatic Interactions, which was held 9-11 Jul. 1991 at the Johns Hopkins University is presented. The meeting was attended by 22 researchers working on various aspects of orbital and rotational dynamics, paleoclimate data analysis and modeling, solid-Earth deformation studies, and paleomagnetic analyses. The primary objective of the workshop was to arrive at a better understanding of the interactions between the orbital, rotational, and climatic variations of the Earth. This report contains a brief introduction and 14 contributed papers which cover most of the topics discussed at the meeting.

  15. Orbital neoplasia in 23 dogs.

    PubMed

    Kern, T J

    1985-03-01

    Medical records of 23 dogs with histologically documented orbital neoplasia and admitted to the New York State College of Veterinary Medicine between 1975 and 1984 were reviewed. Almost all (91%) of the tumors were classified as malignant; 74% of the tumors arose as primary neoplasms within the orbit. Eleven tumor types of connective tissue, bone, epithelial, and hemolymphatic origin were represented. The typically afflicted dog was purebred, female, and middle-aged. Review of this series confirmed the clinical impression that orbital neoplasms in dogs are aggressive malignancies with poor long-term prognosis.

  16. 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.

  17. JSC Orbital Debris Website Description

    NASA Technical Reports Server (NTRS)

    Johnson, Nicholas L.

    2006-01-01

    Purpose: The website provides information about the NASA Orbital Debris Program Office at JSC, which is the lead NASA center for orbital debris research. It is recognized world-wide for its leadership in addressing orbital debris issues. The NASA Orbital Debris Program Office has taken the international lead in conducting measurements of the environment and in developing the technical consensus for adopting mitigation measures to protect users of the orbital environment. Work at the center continues with developing an improved understanding of the orbital debris environment and measures that can be taken to control its growth. Major Contents: Orbital Debris research is divided into the following five broad efforts. Each area of research contains specific information as follows: 1) Modeling - NASA scientists continue to develop and upgrade orbital debris models to describe and characterize the current and future debris environment. Evolutionary and engineering models are described in detail. Downloadable items include a document in PDF format and executable software. 2) Measurements - Measurements of near-Earth orbital debris are accomplished by conducting ground-based and space-based observations of the orbital debris environment. The data from these sources provide validation of the environment models and identify the presence of new sources. Radar, optical and surface examinations are described. External links to related topics are provided. 3) Protection - Orbital debris protection involves conducting hypervelocity impact measurements to assess the risk presented by orbital debris to operating spacecraft and developing new materials and new designs to provide better protection from the environment with less weight penalty. The data from this work provides the link between the environment defined by the models and the risk presented by that environment to operating spacecraft and provides recommendations on design and operations procedures to reduce the risk as

  18. 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

  19. 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

  20. Independent Orbiter Assessment (IOA): Analysis of the orbital maneuvering system

    NASA Technical Reports Server (NTRS)

    Prust, C. D.; Paul, D. J.; Burkemper, V. J.

    1987-01-01

    The results of the Independent Orbiter Assessment (IOA) of the Failure Modes and Effects Analysis (FMEA) and Critical Items List (CIL) are presented. The IOA approach features a top-down analysis of the hardware to determine failure modes, criticality, and potential critical items. To preserve independence, this analysis was accomplished without reliance upon the results contained within the NASA FMEA/CIL documentation. The independent analysis results for the Orbital Maneuvering System (OMS) hardware are documented. The OMS provides the thrust to perform orbit insertion, orbit circularization, orbit transfer, rendezvous, and deorbit. The OMS is housed in two independent pods located one on each side of the tail and consists of the following subsystems: Helium Pressurization; Propellant Storage and Distribution; Orbital Maneuvering Engine; and Electrical Power Distribution and Control. The IOA analysis process utilized available OMS hardware drawings and schematics for defining hardware assemblies, components, and hardware items. Each level of hardware was evaluted and analyzed for possible failure modes and effects. Criticality was asigned based upon the severity of the effect for each failure mode.