Understanding the electronic structure of CdSe quantum dot-fullerene (C{sub 60}) hybrid nanostructure for photovoltaic applications

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

Sarkar, Sunandan; Rajbanshi, Biplab; Sarkar, Pranab, E-mail: pranab.sarkar@visva-bharati.ac.in

2014-09-21

By using the density-functional tight binding method, we studied the electronic structure of CdSe quantum dot(QD)-buckminsterfullerene (C{sub 60}) hybrid systems as a function of both the size of the QD and concentration of the fullerene molecule. Our calculation reveals that the lowest unoccupied molecular orbital energy level of the hybrid CdSeQD-C{sub 60} systems lies on the fullerene moiety, whereas the highest occupied molecular orbital (HOMO) energy level lies either on the QD or the fullerene depending on size of the CdSe QD. We explored the possibility of engineering the energy level alignment by varying the size of the CdSe QD.more » With increase in size of the QD, the HOMO level is shifted upward and crosses the HOMO level of the C{sub 60}-thiol molecule resulting transition from the type-I to type-II band energy alignment. The density of states and charge density plot support these types of band gap engineering of the CdSe-C{sub 60} hybrid systems. This type II band alignment indicates the possibility of application of this nanohybrid for photovoltaic purpose.« less

Towards accurate ab initio predictions of the vibrational spectrum of methane

NASA Technical Reports Server (NTRS)

Schwenke, David W.

2002-01-01

We have carried out extensive ab initio calculations of the electronic structure of methane, and these results are used to compute vibrational energy levels. We include basis set extrapolations, core-valence correlation, relativistic effects, and Born-Oppenheimer breakdown terms in our calculations. Our ab initio predictions of the lowest lying levels are superb.

Probing the electronic structure of UO+ with high-resolution photoelectron spectroscopy.

PubMed

Goncharov, Vasiliy; Kaledin, Leonid A; Heaven, Michael C

2006-10-07

The pulsed field ionization-zero kinetic energy photoelectron technique has been used to observe the low-lying energy levels of UO+. Rotationally resolved spectra were recorded for the ground state and the first nine electronically excited states. Extensive vibrational progressions were characterized. Omega+ assignments were unambiguously determined from the first rotational lines identified in each vibronic band. Term energies, vibrational frequencies, and anharmonicity constants for low-lying energy levels of UO+ are reported. In addition, accurate values for the ionization energies for UO [48,643.8(2) cm(-1)] and U [49,957.6(2) cm(-1)] were determined. The pattern of low-lying electronic states for UO+ indicates that they originate from the U3+(5f3)O2- configuration, where the uranium ion-centered interactions between the 5f electrons are significantly stronger than interactions with the intramolecular electric field. The latter lifts the degeneracy of U3+ ion-core states, but the atomic angular momentum quantum numbers remain reasonably well defined.

Investigating nuclear shell structure in the vicinity of 78Ni: Low-lying excited states in the neutron-rich isotopes Zn,8280

NASA Astrophysics Data System (ADS)

Shiga, Y.; Yoneda, K.; Steppenbeck, D.; Aoi, N.; Doornenbal, P.; Lee, J.; Liu, H.; Matsushita, M.; Takeuchi, S.; Wang, H.; Baba, H.; Bednarczyk, P.; Dombradi, Zs.; Fulop, Zs.; Go, S.; Hashimoto, T.; Honma, M.; Ideguchi, E.; Ieki, K.; Kobayashi, K.; Kondo, Y.; Minakata, R.; Motobayashi, T.; Nishimura, D.; Otsuka, T.; Otsu, H.; Sakurai, H.; Shimizu, N.; Sohler, D.; Sun, Y.; Tamii, A.; Tanaka, R.; Tian, Z.; Tsunoda, Y.; Vajta, Zs.; Yamamoto, T.; Yang, X.; Yang, Z.; Ye, Y.; Yokoyama, R.; Zenihiro, J.

2016-02-01

The low-lying level structures of nuclei in the vicinity of 78Ni were investigated using in-beam γ -ray spectroscopy to clarify the nature of the nuclear magic numbers Z =28 and N =50 in systems close to the neutron drip line. Nucleon knockout reactions were employed to populate excited states in 80Zn and 82Zn. A candidate for the 41+ level in 80Zn was identified at 1979(30) keV, and the lifetime of this state was estimated to be 136-67+92 ps from a line-shape analysis. Moreover, the energy of the 21+ state in 82Zn is reported to lie at 621(11) keV. The large drop in the 21+ energy at 82Zn indicates the presence of a significant peak in the E (21+) systematics at N =50 . Furthermore, the E (41+) /E (21+) and B (E 2 ;41+→21+) /B (E 2 ;21+→0g.s . +) ratios in 80Zn were deduced to be 1.32 (3 ) and 1 .12-60+80 , respectively. These results imply that 80Zn can be described in terms of two-proton configurations with a 78Ni core and are consistent with a robust N =50 magic number along the Zn isotopic chain. These observations, therefore, indicate a persistent N =50 shell closure in nuclei far from the line of β stability, which in turn suggests a doubly magic structure for 78Ni.

Lie-Hamilton systems on the plane: Properties, classification and applications

NASA Astrophysics Data System (ADS)

Ballesteros, A.; Blasco, A.; Herranz, F. J.; de Lucas, J.; Sardón, C.

2015-04-01

We study Lie-Hamilton systems on the plane, i.e. systems of first-order differential equations describing the integral curves of a t-dependent vector field taking values in a finite-dimensional real Lie algebra of planar Hamiltonian vector fields with respect to a Poisson structure. We start with the local classification of finite-dimensional real Lie algebras of vector fields on the plane obtained in González-López, Kamran, and Olver (1992) [23] and we interpret their results as a local classification of Lie systems. By determining which of these real Lie algebras consist of Hamiltonian vector fields relative to a Poisson structure, we provide the complete local classification of Lie-Hamilton systems on the plane. We present and study through our results new Lie-Hamilton systems of interest which are used to investigate relevant non-autonomous differential equations, e.g. we get explicit local diffeomorphisms between such systems. We also analyse biomathematical models, the Milne-Pinney equations, second-order Kummer-Schwarz equations, complex Riccati equations and Buchdahl equations.

The NaK 1 1,3delta states: theoretical and experimental studies of fine and hyperfine structure of rovibrational levels near the dissociation limit.

PubMed

Wilkins, A D; Morgus, L; Hernandez-Guzman, J; Huennekens, J; Hickman, A P

2005-09-22

Earlier high-resolution spectroscopic studies of the fine and hyperfine structure of rovibrational levels of the 1 3delta state of NaK have been extended to include high lying rovibrational levels with v < or = 59, of which the highest levels lie within approximately 4 cm(-1) of the dissociation limit. A potential curve is determined using the inverted perturbation approximation method that reproduces these levels to an accuracy of approximately 0.026 cm(-1). For the largest values of v, the outer turning points occur near R approximately 12.7 angstroms, which is sufficiently large to permit the estimation of the C6 coefficient for this state. The fine and hyperfine structure of the 1 3delta rovibrational levels has been fit using the matrix diagonalization method that has been applied to other states of NaK, leading to values of the spin-orbit coupling constant A(v) and the Fermi contact constant b(F). New values determined for v < or = 33 are consistent with values determined by a simpler method and reported earlier. The measured fine and hyperfine structure for v in the range 44 < or = v < or = 49 exhibits anomalous behavior whose origin is believed to be the mixing between the 1 3delta and 1 1delta states. The matrix diagonalization method has been extended to treat this interaction, and the results provide an accurate representation of the complicated patterns that arise. The analysis leads to accurate values for A(v) and b(F) for all values of v < or = 49. For higher v (50 < or = v < or = 59), several rovibrational levels have been assigned, but the pattern of fine and hyperfine structure is difficult to interpret. Some of the observed features may arise from effects not included in the current model.

A generalization of Lie H-pseudobialgebras

NASA Astrophysics Data System (ADS)

Sun, Qinxiu; Li, Fang

2017-07-01

We investigate Hom-Lie H-pseudobialgebras. We present some examples and a theorem that allows constructing these new algebraic structures. We consider coboundary Hom-Lie H-pseudobialgebras and the corresponding classical Hom-Yang-Baxter equations.

Shape coexistence and the role of axial asymmetry in 72Ge

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

Ayangeakaa, A. D.; Janssens, R. F.; Wu, C. Y.

2016-01-22

The quadrupole collectivity of low-lying states and the anomalous behavior of the0 + 2 and 2 + 3 levels in 72Ge are investigated via projectile multi-step Coulomb excitation with GRETINA and CHICO-2. A total of forty six E2 and M1 matrix elements connecting fourteen low-lying levels were determined using the least-squares search code, GOSIA. Evidence for triaxiality and shape coexistence, based on the model-independent shape invariants deduced from the Kumar–Cline sum rule, is presented. Moreover, these are interpreted using a simple two-state mixing model as well as multi-state mixing calculations carried out within the framework of the triaxial rotor model.more » Our results represent a significant milestone towards the understanding of the unusual structure of this nucleus.« less

A Study of a Compound Solar Eruption with Two Consecutive Erupting Magnetic Structures

NASA Astrophysics Data System (ADS)

Dhakal, Suman K.; Chintzoglou, Georgios; Zhang, Jie

2018-06-01

We report a study of a compound solar eruption that was associated with two consecutively erupting magnetic structures and correspondingly two distinct peaks, during impulsive phase, of an M-class flare (M8.5). Simultaneous multi-viewpoint observations from SDO, GOES and STEREO-A show that this compound eruption originated from two pre-existing sigmoidal magnetic structures lying along the same polarity inversion line. Observations of the associated pre-existing filaments further show that these magnetic structures are lying one on top of the other, separated by 12 Mm in height, in a so-called “double-decker” configuration. The high-lying magnetic structure became unstable and erupted first, appearing as an expanding hot channel seen at extreme ultraviolet wavelengths. About 12 minutes later, the low-lying structure also started to erupt and moved at an even faster speed compared to the high-lying one. As a result, the two erupting structures interacted and merged with each other, appearing as a single coronal mass ejection in the outer corona. We find that the double-decker configuration is likely caused by the persistent shearing motion and flux cancellation along the source active region’s strong-gradient polarity inversion line. The successive destabilization of these two separate but closely spaced magnetic structures, possibly in the form of magnetic flux ropes, led to a compound solar eruption. The study of the compound eruption provides a unique opportunity to reveal the formation process, initiation, and evolution of complex eruptive structures in solar active regions.

From simplicial Lie algebras and hypercrossed complexes to differential graded Lie algebras via 1-jets

NASA Astrophysics Data System (ADS)

Jurčo, Branislav

2012-12-01

Let g be a simplicial Lie algebra with Moore complex Ng of length k. Let G be the simplicial Lie group integrating g, such that each Gn is simply connected. We use the 1-jet of the classifying space W¯ G to construct, starting from g, a Lie k-algebra L. The so constructed Lie k-algebra L is actually a differential graded Lie algebra. The differential and the brackets are explicitly described in terms (of a part) of the corresponding k-hypercrossed complex structure of Ng. The result can be seen as a geometric interpretation of Quillen's (purely algebraic) construction of the adjunction between simplicial Lie algebras and dg-Lie algebras.

Generalized derivation extensions of 3-Lie algebras and corresponding Nambu-Poisson structures

NASA Astrophysics Data System (ADS)

Song, Lina; Jiang, Jun

2018-01-01

In this paper, we introduce the notion of a generalized derivation on a 3-Lie algebra. We construct a new 3-Lie algebra using a generalized derivation and call it the generalized derivation extension. We show that the corresponding Leibniz algebra on the space of fundamental objects is the double of a matched pair of Leibniz algebras. We also determine the corresponding Nambu-Poisson structures under some conditions.

Energy, fine structure, hyperfine structure, and radiative transition rates of the high-lying multi-excited states for B-like neon

NASA Astrophysics Data System (ADS)

Zhang, Chun Mei; Chen, Chao; Sun, Yan; Gou, Bing Cong; Shao, Bin

2015-04-01

The Rayleigh-Ritz variational method with multiconfiguration interaction wave functions is used to obtain the energies of high-lying multi-excited quartet states 1 s 22 s2 pnl and 1 s 22 p 2 nl 4Pe,o ( n ≥ 2) in B-like neon, including the mass polarization and relativistic corrections. The fine structure and hyperfine structure of the excited quartet states for this system are investigated. Configuration structures of the high-lying multi-excited series are further identified by relativistic corrections and fine structure splittings. The transition rates and wavelengths are also calculated. Calculated wavelengths include the quantum electrodynamic effects. The results are compared with other theoretical and experimental data in the literature.

BFV-Complex and Higher Homotopy Structures

NASA Astrophysics Data System (ADS)

Schätz, Florian

2009-03-01

We present a connection between the BFV-complex (abbreviation for Batalin-Fradkin-Vilkovisky complex) and the strong homotopy Lie algebroid associated to a coisotropic submanifold of a Poisson manifold. We prove that the latter structure can be derived from the BFV-complex by means of homotopy transfer along contractions. Consequently the BFV-complex and the strong homotopy Lie algebroid structure are L ∞ quasi-isomorphic and control the same formal deformation problem. However there is a gap between the non-formal information encoded in the BFV-complex and in the strong homotopy Lie algebroid respectively. We prove that there is a one-to-one correspondence between coisotropic submanifolds given by graphs of sections and equivalence classes of normalized Maurer-Cartan elemens of the BFV-complex. This does not hold if one uses the strong homotopy Lie algebroid instead.

Functional interactions between arginine-133 and aspartate-88 in the human reduced folate carrier: evidence for a charge-pair association.

PubMed Central

Liu, X Y; Matherly, L H

2001-01-01

The human reduced folate carrier (hRFC) is an integral membrane protein that mediates cellular uptake of reduced folates and antifolates. hRFC contains several highly conserved charged residues predicted to lie in the transmembrane domains (TMDs). To explore the possible roles of the conserved arginine-133, located in TMD 4, in hRFC structure and function, this residue was systematically mutagenized to histidine, leucine, lysine and glutamate. When transfected into transport-impaired K562 cells, the mutant hRFC constructs were expressed at high levels; however, only lysine-133 hRFC was able to transport methotrexate and (6S)-5-formyl tetrahydrofolate. Substitution of aspartate-453 (in hRFC TMD 12) by valine largely preserved transport activity for both substrates. Although mutagenesis of aspartate-88 (in TMD 2) to leucine completely abolished transport activity in transfected cells, substitution with a glutamate preserved low levels ( approximately 12%) of transport. To assess the possibility that arginine-133 and aspartate-88 may form a charge-pair to stabilize hRFC tertiary structure, both charges were neutralized (by substituting leucine and valine, respectively) in the same construct. In contrast to the singly mutated hRFCs, the double mutant exhibited high levels of transport with both methotrexate and 5-formyl tetrahydrofolate. These results strongly suggest that arginine-133 and aspartate-88 form a charge-pair and that TMD 4 lies next to TMD 2 in the hRFC tertiary structure. PMID:11513752

Semistrict higher gauge theory

NASA Astrophysics Data System (ADS)

Jurčo, Branislav; Sämann, Christian; Wolf, Martin

2015-04-01

We develop semistrict higher gauge theory from first principles. In particular, we describe the differential Deligne cohomology underlying semistrict principal 2-bundles with connective structures. Principal 2-bundles are obtained in terms of weak 2-functors from the Čech groupoid to weak Lie 2-groups. As is demonstrated, some of these Lie 2-groups can be differentiated to semistrict Lie 2-algebras by a method due to Ševera. We further derive the full description of connective structures on semistrict principal 2-bundles including the non-linear gauge transformations. As an application, we use a twistor construction to derive superconformal constraint equations in six dimensions for a non-Abelian tensor multiplet taking values in a semistrict Lie 2-algebra.

Motor abundance and control structure in the golf swing.

PubMed

Morrison, A; McGrath, D; Wallace, E S

2016-04-01

Variability and control structure are under-represented areas of golf swing research. This study investigated the use of the abundant degrees of freedom in the golf swing of high and intermediate skilled golfers using uncontrolled manifold (UCM) analysis. The variance parallel to (VUCM) and orthogonal to (VOrth) the UCM with respect to the orientation and location of the clubhead were calculated. The higher skilled golfers had proportionally higher values of VUCM than lower skilled players for all measured outcome variables. Motor synergy was found in the control of the orientation of the clubhead and the combined outcome variables but not for clubhead location. Clubhead location variance zeroed-in on impact as has been previously shown, whereas clubhead orientation variance increased near impact. Both skill levels increased their control over the clubhead location leading up to impact, with more control exerted over the clubhead orientation in the early downswing. The results suggest that to achieve higher skill levels in golf may not lie simply in optimal technique, but may lie more in developing control over the abundant degrees of freedom in the body. Copyright © 2016 Elsevier B.V. All rights reserved.

Level structure and production cross section of {sub {Xi}}{sup 12} Be studied with coupled-channels antisymmetrized molecular dynamics

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

Matsumiya, H.; Tsubakihara, K.; Kimura, M.

A theoretical framework of coupled-channels antisymmetrized molecular dynamics that describes the multistrangeness system with mixing between different baryon species is developed and applied to {sub {Lambda}}{sup 12}C and {sub {Xi}}{sup 12}Be. By introducing a minor modification to the YN G-matrix interaction derived from the Nijmegen model-D, the low-lying level structure and production cross section of {sub {Lambda}}{sup 12}C are reasonably described. It is found that the low-lying states of {sub {Xi}}{sup 12}Be are dominated by the {sup 11}B {circle_times} {Xi}{sup -} channel and their order strongly depends on {Xi}N effective interactions used in the calculation. The calculated peak position ofmore » the production cross section depends on the {Xi}N effective interaction and the magnitude of spin-flip and non-spin-flip cross sections of K{sup -}p{yields}K{sup +}{Xi}{sup -} elemental processes. We suggest that the {sup 12}C(K{sup -},K{sup +}){sub {Xi}}{sup 12}Be reaction possibly provides us information about the {Xi}N interaction.« less

Defect interactions in GaAs single crystals

NASA Technical Reports Server (NTRS)

Gatos, H. C.; Lagowski, J.

1984-01-01

The two-sublattice structural configuration of GaAs and deviations from stoichiometry render the generation and interaction of electrically active point defects (and point defect complexes) critically important for device applications and very complex. Of the defect-induced energy levels, those lying deep into the energy band are very effective lifetime ""killers". The level 0.82 eV below the condition band, commonly referred to as EL2, is a major deep level, particularly in melt-grown GaAs. This level is associated with an antisite defect complex (AsGa - VAS). Possible mechanisms of its formation and its annihilation were further developed.

Resonant two-photon ionization and laser induced fluorescence spectroscopy of jet-cooled adenine

NASA Astrophysics Data System (ADS)

Kim, Nam Joon; Jeong, Gawoon; Kim, Yung Sam; Sung, Jiha; Keun Kim, Seong; Park, Young Dong

2000-12-01

Electronic spectra of the jet-cooled DNA base adenine were obtained by the resonant two-photon ionization (R2PI) and the laser induced fluorescence (LIF) techniques. The 0-0 band to the lowest electronically excited state was found to be located at 35 503 cm-1. Well-resolved vibronic structures were observed up to 1100 cm-1 above the 0-0 level, followed by a slow rise of broad structureless absorption. The lowest electronic state was proposed to be of nπ* character, which lies ˜600 cm-1 below the onset of the ππ* state. The broad absorption was attributed to the extensive vibronic mixing between the nπ* state and the high-lying ππ* state.

Covariance and the hierarchy of frame bundles

NASA Technical Reports Server (NTRS)

Estabrook, Frank B.

1987-01-01

This is an essay on the general concept of covariance, and its connection with the structure of the nested set of higher frame bundles over a differentiable manifold. Examples of covariant geometric objects include not only linear tensor fields, densities and forms, but affinity fields, sectors and sector forms, higher order frame fields, etc., often having nonlinear transformation rules and Lie derivatives. The intrinsic, or invariant, sets of forms that arise on frame bundles satisfy the graded Cartan-Maurer structure equations of an infinite Lie algebra. Reduction of these gives invariant structure equations for Lie pseudogroups, and for G-structures of various orders. Some new results are introduced for prolongation of structure equations, and for treatment of Riemannian geometry with higher-order moving frames. The use of invariant form equations for nonlinear field physics is implicitly advocated.

Structure of Lie point and variational symmetry algebras for a class of odes

NASA Astrophysics Data System (ADS)

Ndogmo, J. C.

2018-04-01

It is known for scalar ordinary differential equations, and for systems of ordinary differential equations of order not higher than the third, that their Lie point symmetry algebras is of maximal dimension if and only if they can be reduced by a point transformation to the trivial equation y(n)=0. For arbitrary systems of ordinary differential equations of order n ≥ 3 reducible by point transformations to the trivial equation, we determine the complete structure of their Lie point symmetry algebras as well as that for their variational, and their divergence symmetry algebras. As a corollary, we obtain the maximal dimension of the Lie point symmetry algebra for any system of linear or nonlinear ordinary differential equations.

Scattering study of the Ne + NeH+(v0 = 0, j0 = 0) → NeH+ + Ne reaction on an ab initio based analytical potential energy surface

NASA Astrophysics Data System (ADS)

Koner, Debasish; Barrios, Lizandra; González-Lezana, Tomás; Panda, Aditya N.

2016-01-01

Initial state selected dynamics of the Ne + NeH+(v0 = 0, j0 = 0) → NeH+ + Ne reaction is investigated by quantum and statistical quantum mechanical (SQM) methods on the ground electronic state. The three-body ab initio energies on a set of suitably chosen grid points have been computed at CCSD(T)/aug-cc-PVQZ level and analytically fitted. The fitting of the diatomic potentials, computed at the same level of theory, is performed by spline interpolation. A collinear [NeHNe]+ structure lying 0.72 eV below the Ne + NeH+ asymptote is found to be the most stable geometry for this system. Energies of low lying vibrational states have been computed for this stable complex. Reaction probabilities obtained from quantum calculations exhibit dense oscillatory structures, particularly in the low energy region and these get partially washed out in the integral cross section results. SQM predictions are devoid of oscillatory structures and remain close to 0.5 after the rise at the threshold thus giving a crude average description of the quantum probabilities. Statistical cross sections and rate constants are nevertheless in sufficiently good agreement with the quantum results to suggest an important role of a complex-forming dynamics for the title reaction.

Probing the structural evolution of ruthenium doped germanium clusters: Photoelectron spectroscopy and density functional theory calculations

PubMed Central

Jin, Yuanyuan; Lu, Shengjie; Hermann, Andreas; Kuang, Xiaoyu; Zhang, Chuanzhao; Lu, Cheng; Xu, Hongguang; Zheng, Weijun

2016-01-01

We present a combined experimental and theoretical study of ruthenium doped germanium clusters, RuGen− (n = 3–12), and their corresponding neutral species. Photoelectron spectra of RuGen− clusters are measured at 266 nm. The vertical detachment energies (VDEs) and adiabatic detachment energies (ADEs) are obtained. Unbiased CALYPSO structure searches confirm the low-lying structures of anionic and neutral ruthenium doped germanium clusters in the size range of 3 ≤ n ≤ 12. Subsequent geometry optimizations using density functional theory (DFT) at PW91/LANL2DZ level are carried out to determine the relative stability and electronic properties of ruthenium doped germanium clusters. It is found that most of the anionic and neutral clusters have very similar global features. Although the global minimum structures of the anionic and neutral clusters are different, their respective geometries are observed as the low-lying isomers in either case. In addition, for n > 8, the Ru atom in RuGen−/0 clusters is absorbed endohedrally in the Ge cage. The theoretically predicted vertical and adiabatic detachment energies are in good agreement with the experimental measurements. The excellent agreement between DFT calculations and experiment enables a comprehensive evaluation of the geometrical and electronic structures of ruthenium doped germanium clusters. PMID:27439955

UV absorption spectrum and photodissociation channels of the simplest Criegee intermediate (CH2OO).

PubMed

Dawes, Richard; Jiang, Bin; Guo, Hua

2015-01-14

The lowest-lying singlet states of the simplest Criegee intermediate (CH2OO) have been characterized along the O-O dissociation coordinate using explicitly correlated MRCI-F12 electronic structure theory and large active spaces. It is found that a high-level treatment of dynamic electron-correlation is essential to accurately describe these states. A significant well on the B-state is identified at the MRCI-F12 level with an equilibrium structure that differs substantially from that of the ground X-state. This well is presumably responsible for the apparent vibrational structure in some experimental UV absorption spectra, analogous to the structured Huggins band of the iso-electronic ozone. The B-state potential in the Franck-Condon region is sufficiently accurate that an absorption spectrum calculated with a one-dimensional model agrees remarkably well with experiment.

Low-lying vibronic level structure of the ground state of the methoxy radical: Slow electron velocity-map imaging (SEVI) spectra and Köppel-Domcke-Cederbaum (KDC) vibronic Hamiltonian calculations

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

Weichman, Marissa L.; Cheng, Lan; Kim, Jongjin B.

A joint experimental and theoretical study is reported on the low-lying vibronic level structure of the ground state of the methoxy radical using slow photoelectron velocity-map imaging spectroscopy of cryogenically cooled, mass-selected anions (cryo-SEVI) and Köppel-Domcke-Cederbaum (KDC) vibronic Hamiltonian calculations. The KDC vibronic model Hamiltonian in the present study was parametrized using high-level quantum chemistry, allowing the assignment of the cryo-SEVI spectra for vibronic levels of CH 3O up to 2000 cm –1 and of CD 3O up to 1500 cm –1 above the vibrational origin, using calculated vibronic wave functions. The adiabatic electron affinities of CH 3O and CDmore » 3O are determined from the cryo-SEVI spectra to be 1.5689 ± 0.0007 eV and 1.5548 ± 0.0007 eV, respectively, demonstrating improved precision compared to previous work. Experimental peak splittings of <10 cm –1 are resolved between the e 1/2 and e 3/2 components of the 6 1 and 5 1 vibronic levels. A pair of spin-vibronic levels at 1638 and 1677 cm –1 were predicted in the calculation as the e 1/2 and e 3/2 components of 6 2 levels and experimentally resolved for the first time. The strong variation of the spin-orbit splittings with a vibrational quantum number is in excellent agreement between theory and experiment. In conclusion, the observation of signals from nominally forbidden a 1 vibronic levels in the cryo-SEVI spectra also provides direct evidence of vibronic coupling between ground and electronically excited states of methoxy.« less

Low-lying vibronic level structure of the ground state of the methoxy radical: Slow electron velocity-map imaging (SEVI) spectra and Köppel-Domcke-Cederbaum (KDC) vibronic Hamiltonian calculations

DOE PAGES

Weichman, Marissa L.; Cheng, Lan; Kim, Jongjin B.; ...

2017-06-12

A joint experimental and theoretical study is reported on the low-lying vibronic level structure of the ground state of the methoxy radical using slow photoelectron velocity-map imaging spectroscopy of cryogenically cooled, mass-selected anions (cryo-SEVI) and Köppel-Domcke-Cederbaum (KDC) vibronic Hamiltonian calculations. The KDC vibronic model Hamiltonian in the present study was parametrized using high-level quantum chemistry, allowing the assignment of the cryo-SEVI spectra for vibronic levels of CH 3O up to 2000 cm –1 and of CD 3O up to 1500 cm –1 above the vibrational origin, using calculated vibronic wave functions. The adiabatic electron affinities of CH 3O and CDmore » 3O are determined from the cryo-SEVI spectra to be 1.5689 ± 0.0007 eV and 1.5548 ± 0.0007 eV, respectively, demonstrating improved precision compared to previous work. Experimental peak splittings of <10 cm –1 are resolved between the e 1/2 and e 3/2 components of the 6 1 and 5 1 vibronic levels. A pair of spin-vibronic levels at 1638 and 1677 cm –1 were predicted in the calculation as the e 1/2 and e 3/2 components of 6 2 levels and experimentally resolved for the first time. The strong variation of the spin-orbit splittings with a vibrational quantum number is in excellent agreement between theory and experiment. In conclusion, the observation of signals from nominally forbidden a 1 vibronic levels in the cryo-SEVI spectra also provides direct evidence of vibronic coupling between ground and electronically excited states of methoxy.« less

Theoretical study of the noble metals on semiconductor surfaces and Ti-base shape memory alloys

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

Ding, Yungui

1994-07-27

The electronic and structural properties of the (√3 x√3) R30° Ag/Si(111) and (√3 x √3) R30° Au/Si(111) surfaces are investigated using first principles total energy calculations. We have tested almost all experimentally proposed structural models for both surfaces and found the energetically most favorable model for each of them. The lowest energy model structure of the (√3 x √3) R30° Ag/Si(111) surface consists of a top layer of Ag atoms arranged as ``honeycomb-chained-trimers`` lying above a distorted ``missing top layer`` Si(111) substrate. The coverage of Ag is 1 monolayer (ML). We find that the honeycomb structure observed in STM imagesmore » arise from the electronic charge densities of an empty surface band near the Fermi level. The electronic density of states of this model gives a ``pseudo-gap`` around the Fermi level, which is consistent with experimental results. The lowest energy model for the (√3 x √3) R30° Au/Si(111) surface is a conjugate honeycomb-chained-trimer (CHCT-1) configuration which consists of a top layer of trimers formed by 1 ML Au atoms lying above a ``missing top layer`` Si(111) substrate with a honeycomb-chained-trimer structure for its first layer. The structures of Au and Ag are in fact quite similar and belong to the same class of structural models. However, small variation in the structural details gives rise to quite different observed STM images, as revealed in the theoretical calculations. The electronic charge density from bands around the Fermi level for the (√3 x √3) R30°, Au/Si(111) surface also gives a good description of the images observed in STM experiments. First principles calculations are performed to study the electronic and structural properties of a series of Ti-base binary alloys TiFe, TiNi, TiPd, TiMo, and TiAu in the B2 structure.« less

Teaching the Truth about Lies to Psychology Students: The Speed Lying Task

ERIC Educational Resources Information Center

Pearson, Matthew R.; Richardson, Thomas A.

2013-01-01

To teach the importance of deception in everyday social life, an in-class activity called the "Speed Lying Task" was given in an introductory social psychology class. In class, two major research findings were replicated: Individuals detected deception at levels no better than expected by chance and lie detection confidence was unrelated…

Yangian of the Queer Lie Superalgebra

NASA Astrophysics Data System (ADS)

Nazarov, Maxim

Consider the complex matrix Lie superalgebra with the standard generators , where . Define an involutory automorphism η of by . The twisted polynomial current Lie superalgebra has a natural Lie co-superalgebra structure. We quantise the universal enveloping algebra as a co-Poisson Hopf superalgebra. For the quantised algebra we give a description of the centre, and construct the double in the sense of Drinfeld. We also construct a wide class of irreducible representations of the quantised algebra.

The nuclear structure of 223Fr

NASA Astrophysics Data System (ADS)

Kurcewicz, W.; Løvhøiden, G.; Thorsteinsen, T. F.; Borge, M. J. G.; Burke, D. G.; Cronqvist, M.; Gabelmann, H.; Gietz, H.; Hill, P.; Kaffrell, N.; Naumann, R. A.; Nybø, K.; Nyman, G.; Rogowski, J.; Isolde Collaboration

1992-03-01

The γ-rays following the β- decay of 223Rn have been investigated by means of γ-ray singles including multispectrum analysis, and γγ-coincidence measurements using Ge detectors. Multipolarities of 38 transitions in 223Fr have been established by measuring conversion electrons with a mini-orange electron spectrometer. Most of the observed transitions could be placed in a level scheme comprising 53 excited states of 223Fr. The level structure is interpreted in terms of K π = {3}/{2}± and {1}/{2}± parity doublet bands, and a second K π = {3}/{2}± higher-lying parity doublet. The experimental data are compared with the theoretical predictions of the reflection-asymmetric rotor model.

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

Richard, A. L.; Crawford, H. L.; Fallon, P.

The “Island of Inversion” at N~20 for the neon, sodium, and magnesium isotopes has long been an area of interest both experimentally and theoretically due to the subtle competition between 0p-0h and np-nh configurations leading to deformed shapes. However, the presence of rotational band structures, which are fingerprints of deformed shapes, have only recently been observed in this region. In this work, we report on a measurement of the low-lying level structure of 33Mg populated by a two-stage projectile fragmentation reaction and studied with GRETINA. The experimental level energies, ground state magnetic moment, intrinsic quadrupole moment, and γ-ray intensities showmore » good agreement with the strong-coupling limit of a rotational model.« less

On split regular Hom-Lie superalgebras

NASA Astrophysics Data System (ADS)

Albuquerque, Helena; Barreiro, Elisabete; Calderón, A. J.; Sánchez, José M.

2018-06-01

We introduce the class of split regular Hom-Lie superalgebras as the natural extension of the one of split Hom-Lie algebras and Lie superalgebras, and study its structure by showing that an arbitrary split regular Hom-Lie superalgebra L is of the form L = U +∑jIj with U a linear subspace of a maximal abelian graded subalgebra H and any Ij a well described (split) ideal of L satisfying [Ij ,Ik ] = 0 if j ≠ k. Under certain conditions, the simplicity of L is characterized and it is shown that L is the direct sum of the family of its simple ideals.

Interpretation of the photoelectron spectra of FeS(2)(-) by a multiconfiguration computational approach.

PubMed

Clima, Sergiu; Hendrickx, Marc F A

2007-11-01

The ground states of FeS(2) and FeS(2)(-), and several low-lying excited electronic states of FeS(2) that are responsible for the FeS(2)(-) photoelectron spectrum, are calculated. At the B3LYP level an open, quasi-linear [SFeS](-) conformation is found as the most stable structure, which is confirmed at the ab initio CASPT2 computational level. Both the neutral and the anionic unsaturated complexes possess high-spin electronic ground states. For the first time a complete assignment of the photoelectron spectrum of FeS(2)(-) is proposed. The lowest energy band in this spectrum is ascribed to an electron detachment from the two highest-lying 3dpi antibonding orbitals (with respect to the iron-sulfur bonding) of iron. The next-lowest experimental band corresponds to an electron removal from nonbonding, nearly pure sulfur orbitals. The two highest bands in the spectra are assigned as electron detachments from pi and sigma bonding mainly sulfur orbitals.

Berwald-type and Yano-type connections on Lie algebroids

NASA Astrophysics Data System (ADS)

Peyghan, E.

2015-09-01

In a new approach, by using the exact sequences, semisprays on the prolongation of a Lie algebroids are introduced and many important results on the semisprays and sprays are obtained. Also, the horizontal endomorphisms, almost complex structures, vertical, horizontal and complete lifts on the prolongation of a Lie algebroid are considered. Then the distinguished connections on the prolongation of a Lie algebroid are introduced and the torsion and curvature tensors of these connections are considered. In particular, the Berwald-type and Yano-type connections are studied.

Hyperfine Structure Constants of Energetically High-lying Levels of Odd Parity of Atomic Vanadium

NASA Astrophysics Data System (ADS)

Güzelçimen, F.; Yapıcı, B.; Demir, G.; Er, A.; Öztürk, I. K.; Başar, Gö.; Kröger, S.; Tamanis, M.; Ferber, R.; Docenko, D.; Başar, Gü.

2014-09-01

High-resolution Fourier transform spectra of a vanadium-argon plasma have been recorded in the wavelength range of 365-670 nm (15,000-27,400 cm-1). Optical bandpass filters were used in the experimental setup to enhance the sensitivity of the Fourier transform spectrometer. In total, 138 atomic vanadium spectral lines showing resolved or partially resolved hyperfine structure have been analyzed to determine the magnetic dipole hyperfine structure constants A of the involved energy levels. One of the investigated lines has not been previously classified. As a result, the magnetic dipole hyperfine structure constants A for 90 energy levels are presented: 35 of them belong to the configuration 3d 34s4p and 55 to the configuration 3d 44p. Of these 90 constants, 67 have been determined for the first time, with 23 corresponding to the configuration 3d 34s4p and 44 to 3d 44p.

Metric 3-Leibniz algebras and M2-branes

NASA Astrophysics Data System (ADS)

Méndez-Escobar, Elena

2010-08-01

This thesis is concerned with superconformal Chern-Simons theories with matter in 3 dimensions. The interest in these theories is two-fold. On the one hand, it is a new family of theories in which to test the AdS/CFT correspondence and on the other, they are important to study one of the main objects of M-theory (M2-branes). All these theories have something in common: they can be written in terms of 3-Leibniz algebras. Here we study the structure theory of such algebras, paying special attention to a subclass of them that gives rise to maximal supersymmetry and that was the first to appear in this context: 3-Lie algebras. In chapter 2, we review the structure theory of metric Lie algebras and their unitary representations. In chapter 3, we study metric 3-Leibniz algebras and show, by specialising a construction originally due to Faulkner, that they are in one to one correspondence with pairs of real metric Lie algebras and unitary representations of them. We also show a third characterisation for six extreme cases of 3-Leibniz algebras as graded Lie (super)algebras. In chapter 4, we study metric 3-Lie algebras in detail. We prove a structural result and also classify those with a maximally isotropic centre, which is the requirement that ensures unitarity of the corresponding conformal field theory. Finally, in chapter 5, we study the universal structure of superpotentials in this class of superconformal Chern-Simons theories with matter in three dimensions. We provide a uniform formulation for all these theories and establish the connection between the amount of supersymmetry preserved and the gauge Lie algebra and the appropriate unitary representation to be used to write down the Lagrangian. The conditions for supersymmetry enhancement are then expressed equivalently in the language of representation theory of Lie algebras or the language of 3-Leibniz algebras.

Matter distribution and spin-orbit force in spherical nuclei

NASA Astrophysics Data System (ADS)

Co', G.; Anguiano, M.; De Donno, V.; Lallena, A. M.

2018-03-01

We investigate the possibility that some nuclei show density distributions with a depletion in the center, a semibubble structure, by using a Hartree-Fock plus Bardeen-Cooper-Schrieffer approach. We separately study the proton, neutron, and matter distributions in 37 spherical nuclei mainly in the s -d shell region. We found a relation between the semibubble structure and the energy splitting of spin-orbit partner single particle levels. The presence of semibubble structure reduces this splitting, and we study its consequences on the excitation spectrum of the nuclei under investigation by using a quasiparticle random-phase-approximation approach. The excitation energies of the low-lying 4+ states can be related to the presence of semibubble structure in nuclei.

The applications of a higher-dimensional Lie algebra and its decomposed subalgebras

PubMed Central

Yu, Zhang; Zhang, Yufeng

2009-01-01

With the help of invertible linear transformations and the known Lie algebras, a higher-dimensional 6 × 6 matrix Lie algebra sμ(6) is constructed. It follows a type of new loop algebra is presented. By using a (2 + 1)-dimensional partial-differential equation hierarchy we obtain the integrable coupling of the (2 + 1)-dimensional KN integrable hierarchy, then its corresponding Hamiltonian structure is worked out by employing the quadratic-form identity. Furthermore, a higher-dimensional Lie algebra denoted by E, is given by decomposing the Lie algebra sμ(6), then a discrete lattice integrable coupling system is produced. A remarkable feature of the Lie algebras sμ(6) and E is used to directly construct integrable couplings. PMID:20084092

The applications of a higher-dimensional Lie algebra and its decomposed subalgebras.

PubMed

Yu, Zhang; Zhang, Yufeng

2009-01-15

With the help of invertible linear transformations and the known Lie algebras, a higher-dimensional 6 x 6 matrix Lie algebra smu(6) is constructed. It follows a type of new loop algebra is presented. By using a (2 + 1)-dimensional partial-differential equation hierarchy we obtain the integrable coupling of the (2 + 1)-dimensional KN integrable hierarchy, then its corresponding Hamiltonian structure is worked out by employing the quadratic-form identity. Furthermore, a higher-dimensional Lie algebra denoted by E, is given by decomposing the Lie algebra smu(6), then a discrete lattice integrable coupling system is produced. A remarkable feature of the Lie algebras smu(6) and E is used to directly construct integrable couplings.

Nitroxide stable radicals interacting as Lewis bases in hydrogen bonds: A search in the Cambridge structural data base for intermolecular contacts

NASA Astrophysics Data System (ADS)

Alkorta, Ibon; Elguero, José; Elguero, Eric

2017-11-01

1125 X-ray structures of nitroxide free radicals presenting intermolecular hydrogen bonds have been reported in the Cambridge Structural Database. We will report in this paper a qualitative and quantitative analysis of these bonds. The observation in some plots of an excluded region was statistically analyzed using convex hull and kernel smooting methodologies. A theoretical study at the MP2 level with different basis has been carried out indicating that the nitronyl nitroxide radicals (five electrons) lie just in between nitroso compounds (four electrons) and amine N-oxides (six electrons) as far as hydrogen-bond basicity is concerned.

Cow comfort in tie-stalls: increased depth of shavings or straw bedding increases lying time.

PubMed

Tucker, C B; Weary, D M; von Keyserlingk, M A G; Beauchemin, K A

2009-06-01

Over half of US dairy operations use tie-stalls, but these farming systems have received relatively little research attention in terms of stall design and management. The current study tested the effects of the amount of 2 bedding materials, straw and shavings, on dairy cattle lying behavior. The effects of 4 levels of shavings, 3, 9, 15, and 24 kg/stall (experiment 1, n = 12), and high and low levels of straw in 2 separate experiments: 1, 3, 5, and 7 kg/stall (experiment 2, n = 12) and 0.5, 1, 2, and 3 kg/stall (experiment 3, n = 12) were assessed. Treatments were compared using a crossover design with lactating cows housed in tie-stalls fitted with mattresses. Treatments were applied for 1 wk. Total lying time, number of lying bouts, and the length of each lying bout was recorded with data loggers. In experiment 1, cows spent 3 min more lying down for each additional kilogram of shavings (11.0, 11.7, 11.6, and 12.1 +/- 0.24 h/d for 3, 9, 15, and 24 kg/stall shavings, respectively). In experiment 2, cows increased lying time by 12 min for every additional kilogram of straw (11.2, 12.0, 11.8, and 12.4 +/- 0.24 h/d for 1, 3, 5, and 7 kg/stall of straw, respectively). There were no differences in lying behavior among the lower levels of straw tested in experiment 3 (11.7 +/- 0.32 h/d). These results indicated that additional bedding above a scant amount improves cow comfort, as measured by lying time, likely because a well-bedded surface is more compressible.

Full-Dimensional Quantum Calculations of Vibrational Levels of NH4(+) and Isotopomers on An Accurate Ab Initio Potential Energy Surface.

PubMed

Yu, Hua-Gen; Han, Huixian; Guo, Hua

2016-04-14

Vibrational energy levels of the ammonium cation (NH4(+)) and its deuterated isotopomers are calculated using a numerically exact kinetic energy operator on a recently developed nine-dimensional permutation invariant semiglobal potential energy surface fitted to a large number of high-level ab initio points. Like CH4, the vibrational levels of NH4(+) and ND4(+) exhibit a polyad structure, characterized by a collective quantum number P = 2(v1 + v3) + v2 + v4. The low-lying vibrational levels of all isotopomers are assigned and the agreement with available experimental data is better than 1 cm(-1).

Dynamical systems defined on infinite dimensional lie algebras of the ''current algebra'' or ''Kac-Moody'' type

NASA Astrophysics Data System (ADS)

Hermann, Robert

1982-07-01

Recent work by Morrison, Marsden, and Weinstein has drawn attention to the possibility of utilizing the cosymplectic structure of the dual of the Lie algebra of certain infinite dimensional Lie groups to study hydrodynamical and plasma systems. This paper treats certain models arising in elementary particle physics, considered by Lee, Weinberg, and Zumino; Sugawara; Bardacki, Halpern, and Frishman; Hermann; and Dolan. The lie algebras involved are associated with the ''current algebras'' of Gell-Mann. This class of Lie algebras contains certain of the algebras that are called ''Kac-Moody algebras'' in the recent mathematics and mathematical physics literature.

Two ways to solve, using Lie group analysis, the fundamental valuation equation in the double-square-root model of the term structure

NASA Astrophysics Data System (ADS)

Sinkala, W.

2011-01-01

Two approaches based on Lie group analysis are employed to obtain the closed-form solution of a partial differential equation derived by Francis A. Longstaff [J Financial Econom 1989;23:195-224] for the price of a discount bond in the double-square-root model of the term structure.

Population genetic structure and gene flow of Adélie penguins (Pygoscelis adeliae) breeding throughout the western Antarctic Peninsula

USGS Publications Warehouse

Gorman, Kristen B.; Talbot, Sandra L.; Sonsthagen, Sarah A.; Sage, George K.; Gravley, Megan C.; Fraser, William R.; Williams, Tony D.

2017-01-01

Adélie penguins (Pygoscelis adeliae) are responding to ocean–climate variability throughout the marine ecosystem of the western Antarctic Peninsula (WAP) where some breeding colonies have declined by 80%. Nuclear and mitochondrial DNA (mtDNA) markers were used to understand historical population genetic structure and gene flow given relatively recent and continuing reductions in sea ice habitats and changes in numbers of breeding adults at colonies throughout the WAP. Genetic diversity, spatial genetic structure, genetic signatures of fluctuations in population demography and gene flow were assessed in four regional Adélie penguin colonies. The analyses indicated little genetic structure overall based on bi-parentally inherited microsatellite markers (FST =-0.006–0.004). No significant variance was observed in overall haplotype frequency (mtDNA ΦST =0.017; P=0.112). Some comparisons with Charcot Island were significant, suggestive of female-biased philopatry. Estimates of gene flow based on a two-population coalescent model were asymmetrical from the species’ regional core to its northern range. Breeding Adélie penguins of the WAP are a panmictic population and hold adequate genetic diversity and dispersal capacity to be resilient to environmental change.

Correlation functions from a unified variational principle: Trial Lie groups

NASA Astrophysics Data System (ADS)

Balian, R.; Vénéroni, M.

2015-11-01

Time-dependent expectation values and correlation functions for many-body quantum systems are evaluated by means of a unified variational principle. It optimizes a generating functional depending on sources associated with the observables of interest. It is built by imposing through Lagrange multipliers constraints that account for the initial state (at equilibrium or off equilibrium) and for the backward Heisenberg evolution of the observables. The trial objects are respectively akin to a density operator and to an operator involving the observables of interest and the sources. We work out here the case where trial spaces constitute Lie groups. This choice reduces the original degrees of freedom to those of the underlying Lie algebra, consisting of simple observables; the resulting objects are labeled by the indices of a basis of this algebra. Explicit results are obtained by expanding in powers of the sources. Zeroth and first orders provide thermodynamic quantities and expectation values in the form of mean-field approximations, with dynamical equations having a classical Lie-Poisson structure. At second order, the variational expression for two-time correlation functions separates-as does its exact counterpart-the approximate dynamics of the observables from the approximate correlations in the initial state. Two building blocks are involved: (i) a commutation matrix which stems from the structure constants of the Lie algebra; and (ii) the second-derivative matrix of a free-energy function. The diagonalization of both matrices, required for practical calculations, is worked out, in a way analogous to the standard RPA. The ensuing structure of the variational formulae is the same as for a system of non-interacting bosons (or of harmonic oscillators) plus, at non-zero temperature, classical Gaussian variables. This property is explained by mapping the original Lie algebra onto a simpler Lie algebra. The results, valid for any trial Lie group, fulfill consistency properties and encompass several special cases: linear responses, static and time-dependent fluctuations, zero- and high-temperature limits, static and dynamic stability of small deviations.

Algebraic special functions and SO(3,2)

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

Celeghini, E., E-mail: celeghini@fi.infn.it; Olmo, M.A. del, E-mail: olmo@fta.uva.es

2013-06-15

A ladder structure of operators is presented for the associated Legendre polynomials and the sphericas harmonics. In both cases these operators belong to the irreducible representation of the Lie algebra so(3,2) with quadratic Casimir equals to −5/4. As both are also bases of square-integrable functions, the universal enveloping algebra of so(3,2) is thus shown to be homomorphic to the space of linear operators acting on the L{sup 2} functions defined on (−1,1)×Z and on the sphere S{sup 2}, respectively. The presence of a ladder structure is suggested to be the general condition to obtain a Lie algebra representation defining inmore » this way the “algebraic special functions” that are proposed to be the connection between Lie algebras and square-integrable functions so that the space of linear operators on the L{sup 2} functions is homomorphic to the universal enveloping algebra. The passage to the group, by means of the exponential map, shows that the associated Legendre polynomials and the spherical harmonics support the corresponding unitary irreducible representation of the group SO(3,2). -- Highlights: •The algebraic ladder structure is constructed for the associated Legendre polynomials (ALP). •ALP and spherical harmonics support a unitary irreducible SO(3,2)-representation. •A ladder structure is the condition to get a Lie group representation defining “algebraic special functions”. •The “algebraic special functions” connect Lie algebras and L{sup 2} functions.« less

Scattering study of the Ne + NeH{sup +}(v{sub 0} = 0, j{sub 0} = 0) → NeH{sup +} + Ne reaction on an ab initio based analytical potential energy surface

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

Koner, Debasish; Panda, Aditya N., E-mail: adi07@iitg.ernet.in; Barrios, Lizandra

2016-01-21

Initial state selected dynamics of the Ne + NeH{sup +}(v{sub 0} = 0, j{sub 0} = 0) → NeH{sup +} + Ne reaction is investigated by quantum and statistical quantum mechanical (SQM) methods on the ground electronic state. The three-body ab initio energies on a set of suitably chosen grid points have been computed at CCSD(T)/aug-cc-PVQZ level and analytically fitted. The fitting of the diatomic potentials, computed at the same level of theory, is performed by spline interpolation. A collinear [NeHNe]{sup +} structure lying 0.72 eV below the Ne + NeH{sup +} asymptote is found to be the most stablemore » geometry for this system. Energies of low lying vibrational states have been computed for this stable complex. Reaction probabilities obtained from quantum calculations exhibit dense oscillatory structures, particularly in the low energy region and these get partially washed out in the integral cross section results. SQM predictions are devoid of oscillatory structures and remain close to 0.5 after the rise at the threshold thus giving a crude average description of the quantum probabilities. Statistical cross sections and rate constants are nevertheless in sufficiently good agreement with the quantum results to suggest an important role of a complex-forming dynamics for the title reaction.« less

The Diamond Light Source and the challenges ahead for structural biology: some informal remarks.

PubMed

Ramakrishnan, V

2015-03-06

The remarkable advances in structural biology in the past three decades have led to the determination of increasingly complex structures that lie at the heart of many important biological processes. Many of these advances have been made possible by the use of X-ray crystallography using synchrotron radiation. In this short article, some of the challenges and prospects that lie ahead will be summarized. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

The Biological Implausibility of the Nature-Nurture Dichotomy and What It Means for the Study of Infancy

ERIC Educational Resources Information Center

Lewkowicz, David J.

2011-01-01

Since the time of the Greeks, philosophers and scientists have wondered about the origins of structure and function. Plato proposed that the origins of structure and function lie in the organism's nature whereas Aristotle proposed that they lie in its nurture. This nature-nurture dichotomy and the emphasis on the origins question has had a…

The tensor hierarchy algebra

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

Palmkvist, Jakob, E-mail: palmkvist@ihes.fr

We introduce an infinite-dimensional Lie superalgebra which is an extension of the U-duality Lie algebra of maximal supergravity in D dimensions, for 3 ⩽ D ⩽ 7. The level decomposition with respect to the U-duality Lie algebra gives exactly the tensor hierarchy of representations that arises in gauge deformations of the theory described by an embedding tensor, for all positive levels p. We prove that these representations are always contained in those coming from the associated Borcherds-Kac-Moody superalgebra, and we explain why some of the latter representations are not included in the tensor hierarchy. The most remarkable feature of ourmore » Lie superalgebra is that it does not admit a triangular decomposition like a (Borcherds-)Kac-Moody (super)algebra. Instead the Hodge duality relations between level p and D − 2 − p extend to negative p, relating the representations at the first two negative levels to the supersymmetry and closure constraints of the embedding tensor.« less

A description of pseudo-bosons in terms of nilpotent Lie algebras

NASA Astrophysics Data System (ADS)

Bagarello, Fabio; Russo, Francesco G.

2018-02-01

We show how the one-mode pseudo-bosonic ladder operators provide concrete examples of nilpotent Lie algebras of dimension five. It is the first time that an algebraic-geometric structure of this kind is observed in the context of pseudo-bosonic operators. Indeed we do not find the well known Heisenberg algebras, which are involved in several quantum dynamical systems, but different Lie algebras which may be decomposed into the sum of two abelian Lie algebras in a prescribed way. We introduce the notion of semidirect sum (of Lie algebras) for this scope and find that it describes very well the behavior of pseudo-bosonic operators in many quantum models.

The influence of FMRI lie detection evidence on juror decision-making.

PubMed

McCabe, David P; Castel, Alan D; Rhodes, Matthew G

2011-01-01

In the current study, we report on an experiment examining whether functional magnetic resonance imaging (fMRI) lie detection evidence would influence potential jurors' assessment of guilt in a criminal trial. Potential jurors (N = 330) read a vignette summarizing a trial, with some versions of the vignette including lie detection evidence indicating that the defendant was lying about having committed the crime. Lie detector evidence was based on evidence from the polygraph, fMRI (functional brain imaging), or thermal facial imaging. Results showed that fMRI lie detection evidence led to more guilty verdicts than lie detection evidence based on polygraph evidence, thermal facial imaging, or a control condition that did not include lie detection evidence. However, when the validity of the fMRI lie detection evidence was called into question on cross-examination, guilty verdicts were reduced to the level of the control condition. These results provide important information about the influence of lie detection evidence in legal settings. Copyright © 2011 John Wiley & Sons, Ltd.

Everybody Else Is Doing It: Exploring Social Transmission of Lying Behavior

PubMed Central

Mann, Heather; Garcia-Rada, Ximena; Houser, Daniel; Ariely, Dan

2014-01-01

Lying is a common occurrence in social interactions, but what predicts whether an individual will tell a lie? While previous studies have focused on personality factors, here we asked whether lying tendencies might be transmitted through social networks. Using an international sample of 1,687 socially connected pairs, we investigated whether lying tendencies were related in socially connected individuals, and tested two moderators of observed relationships. Participants recruited through a massive open online course reported how likely they would be to engage in specific lies; a friend or relative responded to the same scenarios independently. We classified lies according to their beneficiary (antisocial vs. prosocial lies), and their directness (lies of commission vs. omission), resulting in four unique lying categories. Regression analyses showed that antisocial commission, antisocial omission, and prosocial commission lying tendencies were all uniquely related in connected pairs, even when the analyses were limited to pairs that were not biologically related. For antisocial lies of commission, these relationships were strongest, and were moderated by amount of time spent together. Randomly paired individuals from the same countries were also related in their antisocial commission lying tendencies, signifying country-level norms. Our results indicate that a person's lying tendencies can be predicted by the lying tendencies of his or her friends and family members. PMID:25333483

Zeeman-hyperfine structures and isotope effect in the spectrum of Tl I

NASA Astrophysics Data System (ADS)

Bouazza, Safa; Sobolewski, Łukasz Marek; Kwela, Jerzy

2018-01-01

The Zeeman structures of seventeen lines of 205Tl I (Z = 81) covering the UV-NIR spectral range (351.92-1151.28) nm were investigated. Landé gJ-factors for eighteen levels were determined for the first time. Furthermore, we have performed fine structure studies for both even- and odd-configuration levels and determined the relevant parameters. For the 6 s 6p2 configuration we have refined the suggested level energies and predicted positions for missing levels. With regard to hyperfine structure (hfs), we have justified the surprisingly huge value of the magnetic hfs constant A(6s2 10 s) . Moreover, we have extracted the single-electron hfs constant parameter values for the lowest even-parity configurations of 205Tl I; for instance a10s10 (6s2 10 s) = 1015(9) MHz and a6s10 (6 s 6p2) = 217306(205) MHz. Regarding isotope shift analysis we have observed that Dirac-Fock calculations, preferably chosen to take into account the contribution of the p1/2 contact-electron, are in good agreement with experimental data for low-lying levels of each configuration under study.

Low-lying intruder and tensor-driven structures in 82As revealed by β decay at a new movable-tape-based experimental setup

NASA Astrophysics Data System (ADS)

Etilé, A.; Verney, D.; Arsenyev, N. N.; Bettane, J.; Borzov, I. N.; Cheikh Mhamed, M.; Cuong, P. V.; Delafosse, C.; Didierjean, F.; Gaulard, C.; Van Giai, Nguyen; Goasduff, A.; Ibrahim, F.; Kolos, K.; Lau, C.; Niikura, M.; Roccia, S.; Severyukhin, A. P.; Testov, D.; Tusseau-Nenez, S.; Voronov, V. V.

2015-06-01

The β decay of 82Ge Ge was re-investigated using the newly commissioned tape station BEDO at the electron-driven ISOL (isotope separation on line) facility ALTO operated by the Institut de Physique Nucléaire, Orsay. The original motivation of this work was focused on the sudden occurrence in the light N =49 odd-odd isotonic chain of a large number of J ≤1 states (positive or negative parity) in 80Ga by providing a reliable intermediate example, viz., 82As. The extension of the 82As level scheme towards higher energies from the present work has revealed three potential 1+ states above the already known one at 1092 keV. In addition our data allow ruling out the hypothesis that the 843 keV level could be a 1+ state. A detailed analysis of the level scheme using both an empirical core-particle coupling model and a fully microscopic treatment within a Skyrme-QRPA (quasiparticle random-phase approximation) approach using the finite-rank separable approximation was performed. From this analysis two conclusions can be drawn: (i) the presence of a large number of low-lying low-spin negative parity states is due to intruder states stemming from above the N =50 shell closure, and (ii) the sudden increase, from 82As to 80Ga, of the number of low-lying 1+ states and the corresponding Gamow-Teller fragmentation are naturally reproduced by the inclusion of tensor correlations and couplings to 2p-2h excitations.

Breit–Pauli atomic structure calculations for Fe XI

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

Aggarwal, Sunny, E-mail: sunny.du87@gmail.com; Singh, Jagjit; Mohan, Man

Energy levels, oscillator strengths, and transition probabilities are calculated for the lowest-lying 165 energy levels of Fe XI using configuration-interaction wavefunctions. The calculations include all the major correlation effects. Relativistic effects are included in the Breit–Pauli approximation by adding mass-correction, Darwin, and spin–orbit interaction terms to the non-relativistic Hamiltonian. For comparison with the calculated ab initio energy levels, we have also calculated the energy levels by using the fully relativistic multiconfiguration Dirac–Fock method. The calculated results are in close agreement with the National Institute of Standards and Technology compilation and other available results. New results are predicted for many ofmore » the levels belonging to the 3s3p{sup 4}3d and 3s3p{sup 3}3d{sup 2} configurations, which are very important in astrophysics, relevant, for example, to the recent observations by the Hinode spacecraft. We expect that our extensive calculations will be useful to experimentalists in identifying the fine structure levels in their future work.« less

Structure of the low-lying positive parity states in the proton-neutron symplectic model

NASA Astrophysics Data System (ADS)

Ganev, H. G.

2018-05-01

The proton-neutron symplectic model with Sp(12, R) dynamical symmetry is applied for the simultaneous description of the microscopic structure of the low-lying states of the ground state, γ and β bands in 166 Er. For this purpose, the model Hamiltonian is diagonalized in the space of stretched states by exploiting the SUp (3) ⊗ SUn (3) symmetry-adapted basis. The theoretical predictions are compared with experiment and some other microscopic collective models, like the one-component Sp(6, R) symplectic and pseudo-SU(3) models. A good description of the energy levels of the three bands under consideration, as well as the enhanced intraband B(E2) transition strengths between the states of the ground and γ bands is obtained without the use of effective charges. The results show the presence of a good SU(3) dynamical symmetry. It is also shown that, in contrast to the Sp(6, R) case, the lowest excited bands, e.g., the β and γ bands, naturally appear together with the ground state band within a single Sp(12, R) irreducible representation.

Wheeled Pro(p)file of Batalin-Vilkovisky Formalism

NASA Astrophysics Data System (ADS)

Merkulov, S. A.

2010-05-01

Using a technique of wheeled props we establish a correspondence between the homotopy theory of unimodular Lie 1-bialgebras and the famous Batalin-Vilkovisky formalism. Solutions of the so-called quantum master equation satisfying certain boundary conditions are proven to be in 1-1 correspondence with representations of a wheeled dg prop which, on the one hand, is isomorphic to the cobar construction of the prop of unimodular Lie 1-bialgebras and, on the other hand, is quasi-isomorphic to the dg wheeled prop of unimodular Poisson structures. These results allow us to apply properadic methods for computing formulae for a homotopy transfer of a unimodular Lie 1-bialgebra structure on an arbitrary complex to the associated quantum master function on its cohomology. It is proven that in the category of quantum BV manifolds associated with the homotopy theory of unimodular Lie 1-bialgebras quasi-isomorphisms are equivalence relations. It is shown that Losev-Mnev’s BF theory for unimodular Lie algebras can be naturally extended to the case of unimodular Lie 1-bialgebras (and, eventually, to the case of unimodular Poisson structures). Using a finite-dimensional version of the Batalin-Vilkovisky quantization formalism it is rigorously proven that the Feynman integrals computing the effective action of this new BF theory describe precisely homotopy transfer formulae obtained within the wheeled properadic approach to the quantum master equation. Quantum corrections (which are present in our BF model to all orders of the Planck constant) correspond precisely to what are often called “higher Massey products” in the homological algebra.

Associations between lying behavior and lameness in Canadian Holstein-Friesian cows housed in freestall barns.

PubMed

Solano, L; Barkema, H W; Pajor, E A; Mason, S; LeBlanc, S J; Nash, C G R; Haley, D B; Pellerin, D; Rushen, J; de Passillé, A M; Vasseur, E; Orsel, K

2016-03-01

Lying behavior is an important measure of comfort and well-being in dairy cattle, and changes in lying behavior are potential indicators and predictors of lameness. Our objectives were to determine individual and herd-level risk factors associated with measures of lying behavior, and to evaluate whether automated measures of lying behavior can be used to detect lameness. A purposive sample of 40 Holstein cows was selected from each of 141 dairy farms in Alberta, Ontario, and Québec. Lying behavior of 5,135 cows between 10 and 120 d in milk was automatically and continuously recorded using accelerometers over 4 d. Data on factors hypothesized to influence lying behavior were collected, including information on individual cows, management practices, and facility design. Associations between predictor variables and measures of lying behavior were assessed using generalized linear mixed models, including farm and province as random and fixed effects, respectively. Logistic regression models were used to determine whether lying behavior was associated with lameness. At the cow-level, daily lying time increased with increasing days in milk, but this effect interacted with parity; primiparous cows had more frequent but shorter lying bouts in early lactation, changing to mature-cow patterns of lying behavior (fewer and longer lying bouts) in late lactation. In barns with stall curbs >22 cm high, the use of sand or >2 cm of bedding was associated with an increased average daily lying time of 1.44 and 0.06 h/d, respectively. Feed alleys ≥ 350 cm wide or stalls ≥ 114 cm wide were associated with increased daily lying time of 0.39 and 0.33 h/d, respectively, whereas rubber flooring in the feed alley was associated with 0.47 h/d lower average lying time. Lame cows had longer lying times, with fewer, longer, and more variable duration of bouts compared with nonlame cows. In that regard, cows with lying time ≥ 14 h/d, ≤ 5 lying bouts per day, bout duration ≥ 110 min/bout, or standard deviations of bout duration over 4 d ≥ 70 min had 3.7, 1.7, 2.5, and 3.0 higher odds of being lame, respectively. Factors related to comfort of lying and standing surfaces significantly affected lying behavior. Finally, we inferred that automated measures of lying behavior could contribute to lameness detection, especially when interpreted in the context of other factors known to affect lying behavior, including those associated with the individual cow (e.g., parity and stage of lactation) or environment (e.g., stall surface). Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Super-Hopf realizations of Lie superalgebras: Braided Paraparticle extensions of the Jordan-Schwinger map

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

Kanakoglou, K.; School of Physics, Nuclear and Elementary Particle Physics Department, Aristotle University of Thessaloniki; Daskaloyannis, C.

The mathematical structure of a mixed paraparticle system (combining both parabosonic and parafermionic degrees of freedom) commonly known as the Relative Parabose Set, will be investigated and a braided group structure will be described for it. A new family of realizations of an arbitrary Lie superalgebra will be presented and it will be shown that these realizations possess the valuable representation-theoretic property of transferring invariably the super-Hopf structure. Finally two classes of virtual applications will be outlined: The first is of interest for both mathematics and mathematical physics and deals with the representation theory of infinite dimensional Lie superalgebras, whilemore » the second is of interest in theoretical physics and has to do with attempts to determine specific classes of solutions of the Skyrme model.« less

FAST TRACK COMMUNICATION: \\ {P}\\ {T}-symmetry, Cartan decompositions, Lie triple systems and Krein space-related Clifford algebras

NASA Astrophysics Data System (ADS)

Günther, Uwe; Kuzhel, Sergii

2010-10-01

Gauged \\ {P}\\ {T} quantum mechanics (PTQM) and corresponding Krein space setups are studied. For models with constant non-Abelian gauge potentials and extended parity inversions compact and noncompact Lie group components are analyzed via Cartan decompositions. A Lie-triple structure is found and an interpretation as \\ {P}\\ {T}-symmetrically generalized Jaynes-Cummings model is possible with close relation to recently studied cavity QED setups with transmon states in multilevel artificial atoms. For models with Abelian gauge potentials a hidden Clifford algebra structure is found and used to obtain the fundamental symmetry of Krein space-related J-self-adjoint extensions for PTQM setups with ultra-localized potentials.

FAST TRACK COMMUNICATION: On the structure of k-Lie algebras

NASA Astrophysics Data System (ADS)

Papadopoulos, G.

2008-07-01

We show that the structure constants of k-Lie algebras, k > 3, with a positive definite metric are the sum of the volume forms of orthogonal k-planes. This generalizes the result for k = 3 in Papadopoulos (2008 Preprint arXiv:0804.2662) and Gauntlett and Gutowski (2008 Preprint arXiv:0804.3078), and confirms a conjecture in Figueroa-O'Farrill and Papadopoulos (2002 Preprint math/0211170).

Thermodynamic and Kinematic Flow Characteristics of Some Developing and Non-Developing Disturbances in Predict

DTIC Science & Technology

2014-12-01

normal ( 1S ) and parallel ( 2S ) strain rates squared. U and V are the zonal and meridional velocities and the x and y subscripts indicate partial...between developing and non-developing tropical disturbances appears to lie with the kinematic flow boundary structure and thermodynamic properties ...tropical disturbances appears to lie with the kinematic flow boundary structure and thermodynamic properties hypothesized in the marsupial paradigm

Full-dimensional quantum calculations of vibrational levels of NH 4 + and isotopomers on an accurate ab initio potential energy surface

DOE PAGES

Hua -Gen Yu; Han, Huixian; Guo, Hua

2016-03-29

Vibrational energy levels of the ammonium cation (NH 4 +) and its deuterated isotopomers are calculated using a numerically exact kinetic energy operator on a recently developed nine-dimensional permutation invariant semiglobal potential energy surface fitted to a large number of high-level ab initio points. Like CH4, the vibrational levels of NH 4 + and ND 4 + exhibit a polyad structure, characterized by a collective quantum number P = 2(v 1 + v 3) + v 2 + v 4. As a result, the low-lying vibrational levels of all isotopomers are assigned and the agreement with available experimental data ismore » better than 1 cm –1.« less

Hierarchical Structure of the Eysenck Personality Inventory in a Large Population Sample: Goldberg's Trait-Tier Mapping Procedure

PubMed Central

Chapman, Benjamin P.; Weiss, Alexander; Barrett, Paul; Duberstein, Paul

2014-01-01

The structure of the Eysenck Personality Inventory (EPI) is poorly understood, and applications have mostly been confined to the broad Neuroticism, Extraversion, and Lie scales. Using a hierarchical factoring procedure, we mapped the sequential differentiation of EPI scales from broad, molar factors to more specific, molecular factors, in a UK population sample of over 6500 persons. Replicable facets at the lowest tier of Neuroticism included emotional fragility, mood lability, nervous tension, and rumination. The lowest order set of replicable Extraversion facets consisted of social dynamism, sociotropy, decisiveness, jocularity, social information seeking, and impulsivity. The Lie scale consisted of an interpersonal virtue and a behavioral diligence facet. Users of the EPI may be well served in some circumstances by considering its broad Neuroticism, Extraversion, and Lie scales as multifactorial, a feature that was explicitly incorporated into subsequent Eysenck inventories and is consistent with other hierarchical trait structures. PMID:25983361

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

Richard, A. L.; Crawford, H. L.; Fallon, P.

The “island of inversion” at N≈20 for the neon, sodium, and magnesium isotopes has long been an area of interest both experimentally and theoretically due to the subtle competition between 0p-0h and np-nh configurations leading to deformed shapes. However, the presence of rotational band structures, which are fingerprints of deformed shapes, have only recently been observed in this region. In this work, we report on a measurement of the low-lying level structure of Mg33 populated by a two-stage projectile fragmentation reaction and studied with the Gamma Ray Energy Tracking In-Beam Nuclear Array (GRETINA). The experimental level energies, ground-state magnetic moment,more » intrinsic quadrupole moment, and γ-ray intensities show good agreement with the strong-coupling limit of a rotational model.« less

The study of structure in 224-234 thorium nuclei within the framework IBM

NASA Astrophysics Data System (ADS)

Lee, Su Youn; Lee, Young Jun; Lee, J. H.

2017-09-01

An investigation has been made of the behaviour of nuclear structure as a function of an increase in neutron number from 224Th to 234Th. Thorium of mass number 234 is a typical rotor nucleus that can be explained by the SU(3) limit of the interacting boson model(IBM) in the algebraic nuclear model. Furthermore, 224-232Th lie on the path of the symmetry-breaking phase transition. Moreover, the nuclear structure of 224Th can be explained using X(5) symmetry. However, as 226-230Th nuclei are not fully symmetrical nuclei, they can be represented by adding a perturbed term to express symmetry breaking. Through the following three calculation steps, we identified the tendency of change in nuclear structure. Firstly, the structure of 232Th is described using the matrix elements of the Hamiltonian and the electric quadrupole operator between basis states of the SU(3) limit in IBM. Secondly, the low-lying energy levels and E2 transition ratios corresponding to the observable physical values are calculated by adding a perturbed term with the first-order Casimir operator of the U(5) limit to the SU(3) Hamiltonian in IBM. We compared the results with experimental data of 224-234Th. Lastly, the potential of the Bohr Hamiltonian is represented by a harmonic oscillator, as a result of which the structure of 224-234Th could be expressed in closed form by an approximate separation of variables. The results of these theoretical predictions clarify nuclear structure changes in Thorium nuclei over mass numbers of practical significance.

Two-dimensional Fano lineshapes: Excited-state absorption contributions

NASA Astrophysics Data System (ADS)

Finkelstein-Shapiro, Daniel; Pullerits, Tõnu; Hansen, Thorsten

2018-05-01

Fano interferences in nanostructures are influenced by dissipation effects as well as many-body interactions. Two-dimensional coherent spectroscopies have just begun to be applied to these systems where the spectroscopic signatures of a discrete-continuum structure are not known. In this article, we calculate the excited-state absorption contribution for different models of higher lying excited states. We find that the characteristic asymmetry of one-dimensional spectroscopies is recovered from the many-body contributions and that the higher lying excited manifolds have distorted lineshapes that are not anticipated from discrete-level Hamiltonians. We show that the Stimulated Emission cannot have contributions from a flat continuum of states. This work completes the Ground-State Bleach and Stimulated Emission signals that were calculated previously [D. Finkelstein-Shapiro et al., Phys. Rev. B 94, 205137 (2016)]. The model reproduces the observations reported for molecules on surfaces probed by 2DIR.

Two-dimensional Fano lineshapes: Excited-state absorption contributions.

PubMed

Finkelstein-Shapiro, Daniel; Pullerits, Tõnu; Hansen, Thorsten

2018-05-14

Fano interferences in nanostructures are influenced by dissipation effects as well as many-body interactions. Two-dimensional coherent spectroscopies have just begun to be applied to these systems where the spectroscopic signatures of a discrete-continuum structure are not known. In this article, we calculate the excited-state absorption contribution for different models of higher lying excited states. We find that the characteristic asymmetry of one-dimensional spectroscopies is recovered from the many-body contributions and that the higher lying excited manifolds have distorted lineshapes that are not anticipated from discrete-level Hamiltonians. We show that the Stimulated Emission cannot have contributions from a flat continuum of states. This work completes the Ground-State Bleach and Stimulated Emission signals that were calculated previously [D. Finkelstein-Shapiro et al., Phys. Rev. B 94, 205137 (2016)]. The model reproduces the observations reported for molecules on surfaces probed by 2DIR.

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

Gobrecht, David; Cristallo, Sergio; Piersanti, Luciano

Silicon carbide (SiC) grains are a major dust component in carbon-rich asymptotic giant branch stars. However, the formation pathways of these grains are not fully understood. We calculate ground states and energetically low-lying structures of (SiC){sub n}, n = 1, 16 clusters by means of simulated annealing and Monte Carlo simulations of seed structures and subsequent quantum-mechanical calculations on the density functional level of theory. We derive the infrared (IR) spectra of these clusters and compare the IR signatures to observational and laboratory data. According to energetic considerations, we evaluate the viability of SiC cluster growth at several densities andmore » temperatures, characterizing various locations and evolutionary states in circumstellar envelopes. We discover new, energetically low-lying structures for Si{sub 4}C{sub 4}, Si{sub 5}C{sub 5}, Si{sub 15}C{sub 15}, and Si{sub 16}C{sub 16} and new ground states for Si{sub 10}C{sub 10} and Si{sub 15}C{sub 15}. The clusters with carbon-segregated substructures tend to be more stable by 4–9 eV than their bulk-like isomers with alternating Si–C bonds. However, we find ground states with cage geometries resembling buckminsterfullerens (“bucky-like”) for Si{sub 12}C{sub 12} and Si{sub 16}C{sub 16} and low-lying stable cage structures for n ≥ 12. The latter findings thus indicate a regime of cluster sizes that differ from small clusters as well as from large-scale crystals. Thus—and owing to their stability and geometry—the latter clusters may mark a transition from a quantum-confined cluster regime to a crystalline, solid bulk-material. The calculated vibrational IR spectra of the ground-state SiC clusters show significant emission. They include the 10–13 μ m wavelength range and the 11.3 μm feature inferred from laboratory measurements and observations, respectively, although the overall intensities are rather low.« less

Automated decoding of facial expressions reveals marked differences in children when telling antisocial versus prosocial lies.

PubMed

Zanette, Sarah; Gao, Xiaoqing; Brunet, Megan; Bartlett, Marian Stewart; Lee, Kang

2016-10-01

The current study used computer vision technology to examine the nonverbal facial expressions of children (6-11years old) telling antisocial and prosocial lies. Children in the antisocial lying group completed a temptation resistance paradigm where they were asked not to peek at a gift being wrapped for them. All children peeked at the gift and subsequently lied about their behavior. Children in the prosocial lying group were given an undesirable gift and asked if they liked it. All children lied about liking the gift. Nonverbal behavior was analyzed using the Computer Expression Recognition Toolbox (CERT), which employs the Facial Action Coding System (FACS), to automatically code children's facial expressions while lying. Using CERT, children's facial expressions during antisocial and prosocial lying were accurately and reliably differentiated significantly above chance-level accuracy. The basic expressions of emotion that distinguished antisocial lies from prosocial lies were joy and contempt. Children expressed joy more in prosocial lying than in antisocial lying. Girls showed more joy and less contempt compared with boys when they told prosocial lies. Boys showed more contempt when they told prosocial lies than when they told antisocial lies. The key action units (AUs) that differentiate children's antisocial and prosocial lies are blink/eye closure, lip pucker, and lip raise on the right side. Together, these findings indicate that children's facial expressions differ while telling antisocial versus prosocial lies. The reliability of CERT in detecting such differences in facial expression suggests the viability of using computer vision technology in deception research. Copyright © 2016 Elsevier Inc. All rights reserved.

The Structure of Li7 and K7

NASA Technical Reports Server (NTRS)

Bauschlicher. Charles W., Jr.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

The self-consistent-field (SCF) approach and density functional theory, using the B3LYP hybrid functional, yield three low-lying structures for Li7(-). The relative separations differ for the SCF and B3LYP approaches, however the B3LYP results are in good agreement with the coupled cluster results. For K7(-), only an octahedron with one face capped is found to be a minimum; this the second most stable structure for Li7(-). A comparison of the computed separations between the low-lying states of K7 and the photoelectron detachment spectra does not allow an unambiguous assignment of the structure of K7(-).

Low-lying dipole resonance in neutron-rich Ne isotopes

NASA Astrophysics Data System (ADS)

Yoshida, Kenichi; van Giai, Nguyen

2008-07-01

Microscopic structure of the low-lying isovector dipole excitation mode in neutron-rich Ne26,28,30 is investigated by performing deformed quasiparticle-random-phase-approximation (QRPA) calculations. The particle-hole residual interaction is derived from a Skyrme force through a Landau-Migdal approximation. We obtain the low-lying resonance in Ne26 at around 8.6 MeV. It is found that the isovector dipole strength at Ex<10 MeV exhausts about 6.0% of the classical Thomas-Reiche-Kuhn dipole sum rule. This excitation mode is composed of several QRPA eigenmodes, one is generated by a ν(2s1/2-12p3/2) transition dominantly and the other mostly by a ν(2s1/2-12p1/2) transition. The neutron excitations take place outside of the nuclear surface reflecting the spatially extended structure of the 2s1/2 wave function. In Ne30, the deformation splitting of the giant resonance is large, and the low-lying resonance overlaps with the giant resonance.

Refined energetic ordering for sulphate-water (n = 3-6) clusters using high-level electronic structure calculations

NASA Astrophysics Data System (ADS)

Lambrecht, Daniel S.; McCaslin, Laura; Xantheas, Sotiris S.; Epifanovsky, Evgeny; Head-Gordon, Martin

2012-10-01

This work reports refinements of the energetic ordering of the known low-energy structures of sulphate-water clusters ? (n = 3-6) using high-level electronic structure methods. Coupled cluster singles and doubles with perturbative triples (CCSD(T)) is used in combination with an estimate of basis set effects up to the complete basis set limit using second-order Møller-Plesset theory. Harmonic zero-point energy (ZPE), included at the B3LYP/6-311 + + G(3df,3pd) level, was found to have a significant effect on the energetic ordering. In fact, we show that the energetic ordering is a result of a delicate balance between the electronic and vibrational energies. Limitations of the ZPE calculations, both due to electronic structure errors, and use of the harmonic approximation, probably constitute the largest remaining errors. Due to the often small energy differences between cluster isomers, and the significant role of ZPE, deuteration can alter the relative energies of low-lying structures, and, when it is applied in conjunction with calculated harmonic ZPEs, even alters the global minimum for n = 5. Experiments on deuterated clusters, as well as more sophisticated vibrational calculations, may therefore be quite interesting.

When elephants fall asleep: A literature review on elephant rest with case studies on elephant falling bouts, and practical solutions for zoo elephants.

PubMed

Schiffmann, Christian; Hoby, Stefan; Wenker, Christian; Hård, Therese; Scholz, Robert; Clauss, Marcus; Hatt, Jean-Michel

2018-05-01

Little attention has been paid to the resting and sleeping behavior of zoo elephants so far. An important concern is when elephants avoid lying down, due to degenerative joint and foot disease, social structure, or stressful environmental changes. Inability or unwillingness to lie down for resting is an important welfare issue, as it may impair sleep. We emphasize the importance of satisfying rest in elephants by reviewing the literature on resting behavior in elephants (Loxodonta africana and Elephas maximus) as well as the documentation of four cases from European zoos and our own direct observations in a zoo group of four female African elephants during 12 entire days. The common denominator in the case reports is the occurrence of a falling bout out of a standing position subsequently to a cessation of lying rest for different periods of time. Although well-known in horses as "episodic collapse" or "excessive drowsiness," this syndrome has not been described in elephants before. To enable its detection, we recommend nocturnal video monitoring for elephant-keeping institutions. The literature evaluation as well as own observational data suggest an inverse relationship between lying rest and standing rest. Preventative measures consist of enclosure modifications that facilitate lying rest (e.g., sand hills) or standing rest in a leaning position as a substitute. Anecdotal observations suggest that the provision of appropriate horizontal environmental structures may encourage safe, sleep-conducive standing rest. We provide drawings on how to install such structures. Effects of providing such structures should be evaluated in the future. © 2018 Wiley Periodicals, Inc.

The Effect of Hock Injury Laterality and Lameness on Lying Behaviors and Lying Laterality in Holstein Dairy Cows

PubMed Central

Krawczel, Peter D.

2017-01-01

Simple Summary Dairy cattle may experience discomfort in a myriad of ways throughout their life cycle, particularly when sustaining hock injuries or suboptimal locomotion. Lactating dairy cattle divide their lying time equally between left and right sides; however, discomfort experienced during pregnancy or following cannulation can cause a shift in the normal lying laterality. The objective of this study was to determine the effect of hock injuries and lameness on the lying behaviors of dairy cattle, particularly lying laterality. Lying laterality did not differ from the expected 50% (left side lying time) in cattle with hock injuries, lameness, or both. The current results suggest that lying laterality does not differ between varying levels of hock injury or lameness severity. Going forward, further research could determine if lying laterality shifts over the course of the animal developing a hock injury or lameness. Abstract Lactating dairy cattle divide their lying equally between their left side and their right side. However, discomfort, such as pregnancy and cannulation, can cause a cow to shift lying side preference. The objective of this study was to determine the effect of lameness and hock injuries on lying behaviors, particularly lying laterality, of lactating dairy cows. Cows from four commercial farms in eastern Croatia that had lying behavior data, health score data, and production records were used in the study. Health scores including hock injuries and locomotion were collected once per cow. Severely lame cows had greater daily lying time compared to sound cows and moderately lame cows. Overall, cows spent 51.3 ± 1.2% of their daily lying time on the left side. Maximum hock score, locomotion score, hock injury laterality, or parity did not result in lying laterality differing from 50%. PMID:29149044

Good Liars Are Neither ‘Dark’ Nor Self-Deceptive

PubMed Central

Wright, Gordon R. T.; Berry, Christopher J.; Catmur, Caroline; Bird, Geoffrey

2015-01-01

Deception is a central component of the personality 'Dark Triad' (Machiavellianism, Psychopathy and Narcissism). However, whether individuals exhibiting high scores on Dark Triad measures have a heightened deceptive ability has received little experimental attention. The present study tested whether the ability to lie effectively, and to detect lies told by others, was related to Dark Triad, Lie Acceptability, or Self-Deceptive measures of personality using an interactive group-based deception task. At a group level, lie detection accuracy was correlated with the ability to deceive others—replicating previous work. No evidence was found to suggest that Dark Triad traits confer any advantage either to deceive others, or to detect deception in others. Participants who considered lying to be more acceptable were more skilled at lying, while self-deceptive individuals were generally less credible and less confident when lying. Results are interpreted within a framework in which repeated practice results in enhanced deceptive ability. PMID:26083765

Operating systems. [of computers

NASA Technical Reports Server (NTRS)

Denning, P. J.; Brown, R. L.

1984-01-01

A counter operating system creates a hierarchy of levels of abstraction, so that at a given level all details concerning lower levels can be ignored. This hierarchical structure separates functions according to their complexity, characteristic time scale, and level of abstraction. The lowest levels include the system's hardware; concepts associated explicitly with the coordination of multiple tasks appear at intermediate levels, which conduct 'primitive processes'. Software semaphore is the mechanism controlling primitive processes that must be synchronized. At higher levels lie, in rising order, the access to the secondary storage devices of a particular machine, a 'virtual memory' scheme for managing the main and secondary memories, communication between processes by way of a mechanism called a 'pipe', access to external input and output devices, and a hierarchy of directories cataloguing the hardware and software objects to which access must be controlled.

On Non-Abelian Extensions of 3-Lie Algebras

NASA Astrophysics Data System (ADS)

Song, Li-Na; Makhlouf, Abdenacer; Tang, Rong

2018-04-01

In this paper, we study non-abelian extensions of 3-Lie algebras through Maurer-Cartan elements. We show that there is a one-to-one correspondence between isomorphism classes of non-abelian extensions of 3-Lie algebras and equivalence classes of Maurer-Cartan elements in a DGLA. The structure of the Leibniz algebra on the space of fundamental objects is also analyzed. Supported by National Natural Science Foundation of China under Grant No. 11471139 and National Natural Science Foundation of Jilin Province under Grant No. 20170101050JC

Crystal structure and chemical bonding in the mixed anion compound BaSF.

PubMed

Driss, D; Cadars, S; Deniard, P; Mevellec, J-Y; Corraze, B; Janod, E; Cario, L

2017-11-28

BaSF was synthesised by a solid state reaction at high temperature and its crystal structure was determined thanks to X-ray diffraction on a single crystal. This transparent yellow fluorochalcogenide has an intergrowth structure built from the stacking of fluorite type layers and sulfur layers. In BaSF sulfur atoms form dimers with interatomic distances as short as 2.1074(10) Å. DFT calculations confirm that this compound is a band insulator with the Fermi level lying in between the antibonding π* and σ* molecular orbitals of the sulfur dimers. Reflectance measurements show that the optical band gap of BaSF is about 2.7 eV in good agreement with the value found from DFT calculations.

Theoretical study on mechanisms of structural rearrangement and ionic dissociation in the HCl(H 2O) 4 cluster with path-integral molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Sugawara, Shuichi; Yoshikawa, Takehiro; Takayanagi, Toshiyuki; Tachikawa, Masanori

2011-01-01

The structural rearrangement process for the HCl(H2O)4 cluster has been studied by path-integral molecular dynamics simulations, where 'on-the-fly' calculation of the potential energy surface is done with the PM3-MAIS semiempirical level. The mechanisms of the rearrangement were analyzed using appropriate collective coordinates as well as detailed potential energy diagrams derived from low-lying stationary points. It was found that the vibrational entropy mainly determines the stability of the cluster structure especially at high temperatures. We have also found that the acidity of HCl in the cluster correlates with the coordination number of chlorine with respect water molecules.

High-Lying 6Li Levels at Excitation Energy of around 21 MeV

NASA Astrophysics Data System (ADS)

Povoroznyk, Orest; Gorpinich, Olga K.; Jachmenjov, Olexiy O.; Mokhnach, Hanna V.; Ponkratenko, Oleg; Mandaglio, Giuseppe; Curciarello, Francesca; De Leo, Veronica; Fazio, Giovanni; Giardina, Giorgio

2011-09-01

The 3 cluster structure in 6Li was investigated by the 3H(α,3H 3He)n kinematically complete experiment at the incident energy Eα = 67.2 MeV. We have observed two resonances at Ex* = 21.30 and 21.90 MeV, which are consistent with the results of 3He(3H, γ)6Li analysis in the Ajzenberg-Selove compilation. Our data are compared with the previous experimental data and the RGM and CSRGM calculations.

Phenoxazine Based Units- Synthesis, Photophysics and Electrochemistry

PubMed Central

Nowakowska-Oleksy, Anna; Cabaj, Joanna

2010-01-01

A few new phenoxazine-based conjugated monomers were synthesized, characterized, and successfully used as semiconducting materials. The phenoxazine-based oligomers have low ionization potentials or high-lying HOMO levels (~4.7 eV), which were estimated from cyclic voltammetry. Conjugated oligomers offer good film—forming, mechanical and optical properties connected with their wide application. These results demonstrate that phenoxazine-based conjugated mers are a promising type of semiconducting and luminescent structures able to be used as thin films in organic electronics. PMID:20625802

Consistent Orientation of Moduli Spaces

NASA Astrophysics Data System (ADS)

Freed, Daniel S.; Hopkins, Michael J.; Teleman, Constantin

In a series of papers by Freed, Hopkins, and Teleman (2003, 2005, 2007a) the relationship between positive energy representations of the loop group of a compact Lie group G and the twisted equivariant K-theory Kτ+dimGG (G) was developed. Here G acts on itself by conjugation. The loop group representations depend on a choice of ‘level’, and the twisting τ is derived from the level. For all levels the main theorem is an isomorphism of abelian groups, and for special transgressed levels it is an isomorphism of rings: the fusion ring of the loop group andKτ+dimGG (G) as a ring. For G connected with π1G torsionfree, it has been proven that the ring Kτ+dimGG (G) is a quotient of the representation ring of G and can be calculated explicitly. In these cases it agrees with the fusion ring of the corresponding centrally extended loop group. This chapter explicates the multiplication on the twisted equivariant K-theory for an arbitrary compact Lie group G. It constructs a Frobenius ring structure on Kτ+dimGG (G). This is best expressed in the language of topological quantum field theory: a two-dimensional topological quantum field theory (TQFT) is constructed over the integers in which the abelian group attached to the circle is Kτ+dimGG (G).

Electronic structure of SmO and SmO- via slow photoelectron velocity-map imaging spectroscopy and spin-orbit CASPT2 calculations

NASA Astrophysics Data System (ADS)

Weichman, Marissa L.; Vlaisavljevich, Bess; DeVine, Jessalyn A.; Shuman, Nicholas S.; Ard, Shaun G.; Shiozaki, Toru; Neumark, Daniel M.; Viggiano, Albert A.

2017-12-01

The chemi-ionization reaction of atomic samarium, Sm + O → SmO+ + e-, has been investigated by the Air Force Research Laboratory as a means to modify local electron density in the ionosphere for reduction of scintillation of high-frequency radio waves. Neutral SmO is a likely unwanted byproduct. The spectroscopy of SmO is of great interest to aid in interpretation of optical emission spectra recorded following atmospheric releases of Sm as part of the Metal Oxide Space Cloud (MOSC) observations. Here, we report a joint experimental and theoretical study of SmO using slow photoelectron velocity-map imaging spectroscopy of cryogenically cooled SmO- anions (cryo-SEVI) and high-level spin-orbit complete active space calculations with corrections from second order perturbation theory (CASPT2). With cryo-SEVI, we measure the electron affinity of SmO to be 1.0581(11) eV and report electronic and vibrational structure of low-lying electronic states of SmO in good agreement with theory and prior experimental work. We also obtain spectra of higher-lying excited states of SmO for direct comparison to the MOSC results.

Computational Investigation of the Geometrical and Electronic Structures of VGen-/0 (n = 1-4) Clusters by Density Functional Theory and Multiconfigurational CASSCF/CASPT2 Method.

PubMed

Tran, Van Tan; Nguyen, Minh Thao; Tran, Quoc Tri

2017-10-12

Density functional theory and the multiconfigurational CASSCF/CASPT2 method have been employed to study the low-lying states of VGe n -/0 (n = 1-4) clusters. For VGe -/0 and VGe 2 -/0 clusters, the relative energies and geometrical structures of the low-lying states are reported at the CASSCF/CASPT2 level. For the VGe 3 -/0 and VGe 4 -/0 clusters, the computational results show that due to the large contribution of the Hartree-Fock exact exchange, the hybrid B3LYP, B3PW91, and PBE0 functionals overestimate the energies of the high-spin states as compared to the pure GGA BP86 and PBE functionals and the CASPT2 method. On the basis of the pure GGA BP86 and PBE functionals and the CASSCF/CASPT2 results, the ground states of anionic and neutral clusters are defined, the relative energies of the excited states are computed, and the electron detachment energies of the anionic clusters are evaluated. The computational results are employed to give new assignments for all features in the photoelectron spectra of VGe 3 - and VGe 4 - clusters.

Pre-symplectic algebroids and their applications

NASA Astrophysics Data System (ADS)

Liu, Jiefeng; Sheng, Yunhe; Bai, Chengming

2018-03-01

In this paper, we introduce the notion of a pre-symplectic algebroid and show that there is a one-to-one correspondence between pre-symplectic algebroids and symplectic Lie algebroids. This result is the geometric generalization of the relation between left-symmetric algebras and symplectic (Frobenius) Lie algebras. Although pre-symplectic algebroids are not left-symmetric algebroids, they still can be viewed as the underlying structures of symplectic Lie algebroids. Then we study exact pre-symplectic algebroids and show that they are classified by the third cohomology group of a left-symmetric algebroid. Finally, we study para-complex pre-symplectic algebroids. Associated with a para-complex pre-symplectic algebroid, there is a pseudo-Riemannian Lie algebroid. The multiplication in a para-complex pre-symplectic algebroid characterizes the restriction to the Lagrangian subalgebroids of the Levi-Civita connection in the corresponding pseudo-Riemannian Lie algebroid.

A thermally driven differential mutation approach for the structural optimization of large atomic systems

NASA Astrophysics Data System (ADS)

Biswas, Katja

2017-09-01

A computational method is presented which is capable to obtain low lying energy structures of topological amorphous systems. The method merges a differential mutation genetic algorithm with simulated annealing. This is done by incorporating a thermal selection criterion, which makes it possible to reliably obtain low lying minima with just a small population size and is suitable for multimodal structural optimization. The method is tested on the structural optimization of amorphous graphene from unbiased atomic starting configurations. With just a population size of six systems, energetically very low structures are obtained. While each of the structures represents a distinctly different arrangement of the atoms, their properties, such as energy, distribution of rings, radial distribution function, coordination number, and distribution of bond angles, are very similar.

Parity doublet structures in doubly-odd 216Fr

NASA Astrophysics Data System (ADS)

Pragati, Â.; Deo, A. Y.; Tandel, S. K.; Bhattacharjee, S. S.; Chakraborty, S.; Rai, S.; Wahid, S. G.; Kumar, S.; Muralithar, S.; Singh, R. P.; Bala, Indu; Garg, Ritika; Jain, A. K.

2018-04-01

Parity doublet structures are established in 216Fr, which lies at the lower boundary of enhanced octupole collectivity in the trans-lead region. The newly identified levels are established as the simplex partner of a previously reported band leading to parity doublets with small (˜55 keV) average energy splitting, a feature typical of nuclei with near-static octupole deformation. The observed levels do not follow a regular pattern of rotational bands, indicating low quadrupole collectivity. However, enhanced octupole correlations are evident from the small energy splitting and large B(E1)/B(E2) values. Staggering in E1 transition energies and B(E1)/B(E2) ratios is noted. The enhancement of octupole correlations in 216Fr is attributed to the availability of a neutron orbital with a K = 3/2 component.

Geophysical setting of the Wabash Valley fault system

USGS Publications Warehouse

Hildenbrand, T.G.; Ravat, D.

1997-01-01

Interpretation of existing regional magnetic and gravity data and new local high-resolution aeromagnetic data provides new insights on the tectonic history and structural development of the Wabash Valley Fault System in Illinois and Indiana. Enhancement of short-wavelength magnetic anomalies reveal numerous NW- to NNE-trending ultramafic dikes and six intrusive complexes (including those at Hicks Dome and Omaha Dome). Inversion models indicate that the interpreted dikes are narrow (???3 m), lie at shallow depths (500 km long and generally >50 km wide) and with deep basins (locally >3 km thick), the ancestral Wabash Valley faults express, in comparison, minor tectonic structures and probably do not represent a failed rift arm. There is a lack of any obvious relation between the Wabash Valley Fault System and the epicenters of historic and prehistoric earthquakes. Five prehistoric earthquakes lie conspicuously near structures associated with the Commerce geophysical lineament, a NE-trending magnetic and gravity lineament lying oblique to the Wabash Valley Fault System and possibly extending over 600 km from NE Arkansas to central Indiana.

Embedded random matrix ensembles from nuclear structure and their recent applications

NASA Astrophysics Data System (ADS)

Kota, V. K. B.; Chavda, N. D.

Embedded random matrix ensembles generated by random interactions (of low body rank and usually two-body) in the presence of a one-body mean field, introduced in nuclear structure physics, are now established to be indispensable in describing statistical properties of a large number of isolated finite quantum many-particle systems. Lie algebra symmetries of the interactions, as identified from nuclear shell model and the interacting boson model, led to the introduction of a variety of embedded ensembles (EEs). These ensembles with a mean field and chaos generating two-body interaction generate in three different stages, delocalization of wave functions in the Fock space of the mean-field basis states. The last stage corresponds to what one may call thermalization and complex nuclei, as seen from many shell model calculations, lie in this region. Besides briefly describing them, their recent applications to nuclear structure are presented and they are (i) nuclear level densities with interactions; (ii) orbit occupancies; (iii) neutrinoless double beta decay nuclear transition matrix elements as transition strengths. In addition, their applications are also presented briefly that go beyond nuclear structure and they are (i) fidelity, decoherence, entanglement and thermalization in isolated finite quantum systems with interactions; (ii) quantum transport in disordered networks connected by many-body interactions with centrosymmetry; (iii) semicircle to Gaussian transition in eigenvalue densities with k-body random interactions and its relation to the Sachdev-Ye-Kitaev (SYK) model for majorana fermions.

Evaluation of the Thermodynamic Consistency of Closure Approximations in Several Models Proposed for the Description of Liquid Crystalline Dynamics

NASA Astrophysics Data System (ADS)

Edwards, Brian J.

2002-05-01

Given the premise that a set of dynamical equations must possess a definite, underlying mathematical structure to ensure local and global thermodynamic stability, as has been well documented, several different models for describing liquid crystalline dynamics are examined with respect to said structure. These models, each derived during the past several years using a specific closure approximation for the fourth moment of the distribution function in Doi's rigid rod theory, are all shown to be inconsistent with this basic mathematical structure. The source of this inconsistency lies in Doi's expressions for the extra stress tensor and temporal evolution of the order parameter, which are rederived herein using a transformation that allows for internal compatibility with the underlying mathematical structure that is present on the distribution function level of description.

Impact of sea level rise on tide gate function.

PubMed

Walsh, Sean; Miskewitz, Robert

2013-01-01

Sea level rise resulting from climate change and land subsidence is expected to severely impact the duration and associated damage resulting from flooding events in tidal communities. These communities must continuously invest resources for the maintenance of existing structures and installation of new flood prevention infrastructure. Tide gates are a common flood prevention structure for low-lying communities in the tidal zone. Tide gates close during incoming tides to prevent inundation from downstream water propagating inland and open during outgoing tides to drain upland areas. Higher downstream mean sea level elevations reduce the effectiveness of tide gates by impacting the hydraulics of the system. This project developed a HEC-RAS and HEC-HMS model of an existing tide gate structure and its upland drainage area in the New Jersey Meadowlands to simulate the impact of rising mean sea level elevations on the tide gate's ability to prevent upstream flooding. Model predictions indicate that sea level rise will reduce the tide gate effectiveness resulting in longer lasting and deeper flood events. The results indicate that there is a critical point in the sea level elevation for this local area, beyond which flooding scenarios become dramatically worse and would have a significantly negative impact on the standard of living and ability to do business in one of the most densely populated areas of America.

Hydrophilic Conjugated Polymers with Large Bandgaps and Deep-Lying HOMO Levels as an Efficient Cathode Interlayer in Inverted Polymer Solar Cells.

PubMed

Kan, Yuanyuan; Zhu, Yongxiang; Liu, Zhulin; Zhang, Lianjie; Chen, Junwu; Cao, Yong

2015-08-01

Two hydrophilic conjugated polymers, PmP-NOH and PmP36F-NOH, with polar diethanol-amine on the side chains and main chain structures of poly(meta-phenylene) and poly(meta-phenylene-alt-3,6-fluorene), respectively, are successfully synthesized. The films of PmP-NOH and PmP36F-NOH show absorption edges at 340 and 343 nm, respectively. The calculated optical bandgaps of the two polymers are 3.65 and 3.62 eV, respectively, the largest ones so far reported for hydrophilic conjugated polymers. PmP-NOH and PmP36F-NOH also possess deep-lying highest occupied molecular orbital levels of -6.19 and -6.15 eV, respectively. Inserting PmP-NOH and PmP36F-NOH as a cathode interlayer in inverted polymer solar cells with a PTB7/PC71 BM blend as the active layer, high power conversion efficiencies of 8.58% and 8.33%, respectively, are achieved, demonstrating that the two hydrophilic polymers are excellent interlayers for efficient inverted polymer solar cells. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Is seniority a partial dynamic symmetry in the first νg9/2 shell?

NASA Astrophysics Data System (ADS)

Morales, A. I.; Benzoni, G.; Watanabe, H.; de Angelis, G.; Nishimura, S.; Coraggio, L.; Gargano, A.; Itaco, N.; Otsuka, T.; Tsunoda, Y.; Van Isacker, P.; Browne, F.; Daido, R.; Doornenbal, P.; Fang, Y.; Lorusso, G.; Patel, Z.; Rice, S.; Sinclair, L.; Söderström, P.-A.; Sumikama, T.; Valiente-Dobón, J. J.; Wu, J.; Xu, Z. Y.; Yagi, A.; Yokoyama, R.; Baba, H.; Avigo, R.; Bello Garrote, F. L.; Blasi, N.; Bracco, A.; Bruce, A. M.; Camera, F.; Ceruti, S.; Crespi, F. C. L.; Delattre, M.-C.; Dombradi, Zs.; Gottardo, A.; Isobe, T.; Kojouharov, I.; Kurz, N.; Kuti, I.; Lalkovski, S.; Matsui, K.; Melon, B.; Mengoni, D.; Miyazaki, T.; Modamio-Hoybjor, V.; Momiyama, S.; Napoli, D. R.; Niikura, M.; Orlandi, R.; Podolyák, Zs.; Regan, P. H.; Sakurai, H.; Sahin, E.; Sohler, D.; Schaffner, H.; Taniuchi, R.; Taprogge, J.; Vajta, Zs.; Wieland, O.; Yalcinkaya, M.

2018-06-01

The low-lying structures of the midshell νg9/2 Ni isotopes 72Ni and 74Ni have been investigated at the RIBF facility in RIKEN within the EURICA collaboration. Previously unobserved low-lying states were accessed for the first time following β decay of the mother nuclei 72Co and 74Co. As a result, we provide a complete picture in terms of the seniority scheme up to the first (8+) levels for both nuclei. The experimental results are compared to shell-model calculations in order to define to what extent the seniority quantum number is preserved in the first neutron g9/2 shell. We find that the disappearance of the seniority isomerism in the (81+) states can be explained by a lowering of the seniority-four (6+) levels as predicted years ago. For 74Ni, the internal de-excitation pattern of the newly observed (62+) state supports a restoration of the normal seniority ordering up to spin J = 4. This property, unexplained by the shell-model calculations, is in agreement with a dominance of the single-particle spherical regime near 78Ni.

Low-lying level structure of 56Cu and its implications for the rp process

NASA Astrophysics Data System (ADS)

Ong, W.-J.; Langer, C.; Montes, F.; Aprahamian, A.; Bardayan, D. W.; Bazin, D.; Brown, B. A.; Browne, J.; Crawford, H.; Cyburt, R.; Deleeuw, E. B.; Domingo-Pardo, C.; Gade, A.; George, S.; Hosmer, P.; Keek, L.; Kontos, A.; Lee, I.-Y.; Lemasson, A.; Lunderberg, E.; Maeda, Y.; Matos, M.; Meisel, Z.; Noji, S.; Nunes, F. M.; Nystrom, A.; Perdikakis, G.; Pereira, J.; Quinn, S. J.; Recchia, F.; Schatz, H.; Scott, M.; Siegl, K.; Simon, A.; Smith, M.; Spyrou, A.; Stevens, J.; Stroberg, S. R.; Weisshaar, D.; Wheeler, J.; Wimmer, K.; Zegers, R. G. T.

2017-05-01

The low-lying energy levels of proton-rich 56Cu have been extracted using in-beam γ -ray spectroscopy with the state-of-the-art γ -ray tracking array GRETINA in conjunction with the S800 spectrograph at the National Superconducting Cyclotron Laboratory at Michigan State University. Excited states in 56Cu serve as resonances in the 55Ni(p ,γ )56Cu reaction, which is a part of the rp process in type-I x-ray bursts. To resolve existing ambiguities in the reaction Q value, a more localized isobaric multiplet mass equation (IMME) fit is used, resulting in Q =639 ±82 keV. We derive the first experimentally constrained thermonuclear reaction rate for 55Ni(p ,γ )56Cu . We find that, with this new rate, the rp process may bypass the 56Ni waiting point via the 55Ni(p ,γ ) reaction for typical x-ray burst conditions with a branching of up to ˜40 % . We also identify additional nuclear physics uncertainties that need to be addressed before drawing final conclusions about the rp -process reaction flow in the 56Ni region.

Theoretical study of the alkaline-earth metal superoxides BeO2 through SrO2

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Partridge, Harry; Sodupe, Mariona; Langhoff, Stephen R.

1992-01-01

Three competing bonding mechanisms have been identified for the alkaline-earth metal superoxides: these result in a change in the optimal structure and ground state as the alkaline-earth metal becomes heavier. For example, BeO2 has a linear 3Sigma(-)g ground-state structure, whereas both CaO2 and SrO2 have C(2v)1A1 structures. For MgO2, the theoretical calculations are less definitive, as the 3A2 C(2v) structure is computed to lie only about 3 kcal/mol above the 3Sigma(-)g linear structure. The bond dissociation energies for the alkaline-earth metal superoxides have been computed using extensive Gaussian basis sets and treating electron correlation at the modified coupled-pair functional or coupled-cluster singles and doubles level with a perturbational estimate of the triple excitations.

Pulse design for multilevel systems by utilizing Lie transforms

NASA Astrophysics Data System (ADS)

Kang, Yi-Hao; Chen, Ye-Hong; Shi, Zhi-Cheng; Huang, Bi-Hua; Song, Jie; Xia, Yan

2018-03-01

We put forward a scheme to design pulses to manipulate multilevel systems with Lie transforms. A formula to reverse construct a control Hamiltonian is given and is applied in pulse design in the three- and four-level systems as examples. To demonstrate the validity of the scheme, we perform numerical simulations, which show the population transfers for cascaded three-level and N -type four-level Rydberg atoms can be completed successfully with high fidelities. Therefore, the scheme may benefit quantum information tasks based on multilevel systems.

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

Balian, R., E-mail: roger.balian@cea.fr; Vénéroni, M.

Time-dependent expectation values and correlation functions for many-body quantum systems are evaluated by means of a unified variational principle. It optimizes a generating functional depending on sources associated with the observables of interest. It is built by imposing through Lagrange multipliers constraints that account for the initial state (at equilibrium or off equilibrium) and for the backward Heisenberg evolution of the observables. The trial objects are respectively akin to a density operator and to an operator involving the observables of interest and the sources. We work out here the case where trial spaces constitute Lie groups. This choice reduces themore » original degrees of freedom to those of the underlying Lie algebra, consisting of simple observables; the resulting objects are labeled by the indices of a basis of this algebra. Explicit results are obtained by expanding in powers of the sources. Zeroth and first orders provide thermodynamic quantities and expectation values in the form of mean-field approximations, with dynamical equations having a classical Lie–Poisson structure. At second order, the variational expression for two-time correlation functions separates–as does its exact counterpart–the approximate dynamics of the observables from the approximate correlations in the initial state. Two building blocks are involved: (i) a commutation matrix which stems from the structure constants of the Lie algebra; and (ii) the second-derivative matrix of a free-energy function. The diagonalization of both matrices, required for practical calculations, is worked out, in a way analogous to the standard RPA. The ensuing structure of the variational formulae is the same as for a system of non-interacting bosons (or of harmonic oscillators) plus, at non-zero temperature, classical Gaussian variables. This property is explained by mapping the original Lie algebra onto a simpler Lie algebra. The results, valid for any trial Lie group, fulfill consistency properties and encompass several special cases: linear responses, static and time-dependent fluctuations, zero- and high-temperature limits, static and dynamic stability of small deviations.« less

Structure of 29F in the rotation-aligned coupling scheme of the particle-rotor model

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

Macchiavelli, A. O.; Crawford, H. L.; Fallon, P.

Recent results from RIKEN/RIBF on the low-lying level structure of 29F are interpreted within the Particle-Rotor Model. We show that the experimental data can be understood in the Rotation-aligned Coupling Scheme, with the 5/2 + ground state as the bandhead of a decoupled band. In this picture, the energy of the observed 1/2more » $$+\\atop{1}$$ state correlates strongly with the rotational energy of the core and provides an estimate of the 2 + energy in 28O. Our analysis suggests a moderate deformation, ϵ 2 ~ 0.16, and places the 2 + in 28O at ~ 2.5 MeV.« less

Structure of 29F in the rotation-aligned coupling scheme of the particle-rotor model

DOE PAGES

Macchiavelli, A. O.; Crawford, H. L.; Fallon, P.; ...

2017-10-23

Recent results from RIKEN/RIBF on the low-lying level structure of 29F are interpreted within the Particle-Rotor Model. We show that the experimental data can be understood in the Rotation-aligned Coupling Scheme, with the 5/2 + ground state as the bandhead of a decoupled band. In this picture, the energy of the observed 1/2more » $$+\\atop{1}$$ state correlates strongly with the rotational energy of the core and provides an estimate of the 2 + energy in 28O. Our analysis suggests a moderate deformation, ϵ 2 ~ 0.16, and places the 2 + in 28O at ~ 2.5 MeV.« less

An analysis of obituaries in staff magazines.

PubMed

Heynderickx, Priscilla C; Dieltjens, Sylvain M

2016-01-01

In the literature, extensive attention is given to the content, structure, and style of obituaries in newspapers. Analyses of the demise of colleagues in internal business communications are however nonexistent. This article discusses a bottom-up analysis of 150 obituaries published in Flemish staff magazines--obituaries that mostly focus on the deceased's career and professional qualities. Following analysis, the data were divided in obituaries that are continuous texts and obituaries with a letter format. The differences between the two types lie at different levels: format, content, structure, and language use. Obituaries with a letter format are characterized and determined by three paradoxes: the sender-receiver paradox, life-death paradox, and happiness-sadness paradox.

Progress in high-level exploratory vision

NASA Astrophysics Data System (ADS)

Brand, Matthew

1993-08-01

We have been exploring the hypothesis that vision is an explanatory process, in which causal and functional reasoning about potential motion plays an intimate role in mediating the activity of low-level visual processes. In particular, we have explored two of the consequences of this view for the construction of purposeful vision systems: Causal and design knowledge can be used to (1) drive focus of attention, and (2) choose between ambiguous image interpretations. An important result of visual understanding is an explanation of the scene's causal structure: How action is originated, constrained, and prevented, and what will happen in the immediate future. In everyday visual experience, most action takes the form of motion, and most causal analysis takes the form of dynamical analysis. This is even true of static scenes, where much of a scene's interest lies in how possible motions are arrested. This paper describes our progress in developing domain theories and visual processes for the understanding of various kinds of structured scenes, including structures built out of children's constructive toys and simple mechanical devices.

Realizations of some contact metric manifolds as Ricci soliton real hypersurfaces

NASA Astrophysics Data System (ADS)

Cho, Jong Taek; Hashinaga, Takahiro; Kubo, Akira; Taketomi, Yuichiro; Tamaru, Hiroshi

2018-01-01

Ricci soliton contact metric manifolds with certain nullity conditions have recently been studied by Ghosh and Sharma. Whereas the gradient case is well-understood, they provided a list of candidates for the nongradient case. These candidates can be realized as Lie groups, but one only knows the structures of the underlying Lie algebras, which are hard to be analyzed apart from the three-dimensional case. In this paper, we study these Lie groups with dimension greater than three, and prove that the connected, simply-connected, and complete ones can be realized as homogeneous real hypersurfaces in noncompact real two-plane Grassmannians. These realizations enable us to prove, in a Lie-theoretic way, that all of them are actually Ricci soliton.

Factors that influence the hydrologic recovery of wetlands in the Northern Tampa Bay area, Florida

USGS Publications Warehouse

Metz, P.A.

2011-01-01

Although of less importance than the other three factors, a low-lying topographical position benefited the hydrologic condition of several of the study wetlands (S-68 Cypress and W-12 Cypress) both before and after the reductions in groundwater withdrawals. Compared to wetlands in a higher topographical position, those in a lower position had longer hydroperiods because of their greater ability to receive more runoff from higher elevation wetlands and to establish surface-water connections to other isolated wetlands and surface-water bodies through low-lying surface-water channels during wet conditions. In addition, wetlands in low-lying areas benefited from groundwater inflow when groundwater levels were higher than wetland water levels.

The general symmetry algebra structure of the underdetermined equation ux=(vxx)2

NASA Astrophysics Data System (ADS)

Kersten, Paul H. M.

1991-08-01

In a recent paper, Anderson, Kamran, and Olver [``Interior, exterior, and generalized symmetries,'' preprint (1990)] obtained the first- and second-order generalized symmetry algebra for the system ux=(vxx)2, leading to the noncompact real form of the exceptional Lie algebra G2. Here, the structure of the general higher-order symmetry algebra is obtained. Moreover, the Lie algebra G2 is obtained as ordinary symmetry algebra of the associated first-order system. The general symmetry algebra for ux=f(u,v,vx,...,) is established also.

Structure and function of bordered pits: new discoveries and impacts on whole-plant hydraulic function.

PubMed

Choat, Brendan; Cobb, Alexander R; Jansen, Steven

2008-01-01

Bordered pits are cavities in the lignified cell walls of xylem conduits (vessels and tracheids) that are essential components in the water-transport system of higher plants. The pit membrane, which lies in the center of each pit, allows water to pass between xylem conduits but limits the spread of embolism and vascular pathogens in the xylem. Averaged across a wide range of species, pits account for > 50% of total xylem hydraulic resistance, indicating that they are an important factor in the overall hydraulic efficiency of plants. The structure of pits varies dramatically across species, with large differences evident in the porosity and thickness of pit membranes. Because greater porosity reduces hydraulic resistance but increases vulnerability to embolism, differences in pit structure are expected to correlate with trade-offs between efficiency and safety of water transport. However, trade-offs in hydraulic function are influenced both by pit-level differences in structure (e.g. average porosity of pit membranes) and by tissue-level changes in conduit allometry (average length, diameter) and the total surface area of pit membranes that connects vessels. In this review we address the impact of variation in pit structure on water transport in plants from the level of individual pits to the whole plant.

The Metaplectic Sampling of Quantum Engineering

NASA Astrophysics Data System (ADS)

Schempp, Walter J.

2010-12-01

Due to photonic visualization, quantum physics is not restricted to the microworld. Starting off with synthetic aperture radar, the paper provides a unified approach to coherent atom optics, clinical magnetic resonance tomography and the bacterial protein dynamics of structural microbiology. Its mathematical base is harmonic analysis on the three-dimensional Heisenberg Lie group with associated nilpotent Heisenberg algebra Lie(N).

Lifetimes of excited states in 196, 198Pt; Application of interacting boson approximation model to even Pt isotopes systematics

NASA Astrophysics Data System (ADS)

Bolotin, H. H.; Stuchbery, A. E.; Morrison, I.; Kennedy, D. L.; Ryan, C. G.; Sie, S. H.

1981-11-01

The lifetimes and lifetime limits of the low-lying excited states up to and including the 6 1+ levels in 196, 198Pt were determined by the recoil-distance method (RDM). Gamma-ray angular distributions in 198Pt were also measured. These states were populated by multiple Coulomb excitation using 220 MeV 58Ni ion beams and the measurements were carried out in coincidence with back-scattered projectiles. The measured mean lives of the states and B(E2) values inferred for the transitions between levels are presented. These specific findings, and the observed structure systematics obtained from the combination of the present results and those of prior workers for the even 194-198Pt isotopes, are critically compared with our structure calculations employing the interacting boson approximation (IBA) model incorporating a symmetry-breaking quadrupole force; evaluative comparisons are also made with boson expansion theory (BET) calculations.

Shell Evolution towards 78Ni: Low-Lying States in 77Cu

NASA Astrophysics Data System (ADS)

Sahin, E.; Bello Garrote, F. L.; Tsunoda, Y.; Otsuka, T.; de Angelis, G.; Görgen, A.; Niikura, M.; Nishimura, S.; Xu, Z. Y.; Baba, H.; Browne, F.; Delattre, M.-C.; Doornenbal, P.; Franchoo, S.; Gey, G.; Hadyńska-KlÈ©k, K.; Isobe, T.; John, P. R.; Jung, H. S.; Kojouharov, I.; Kubo, T.; Kurz, N.; Li, Z.; Lorusso, G.; Matea, I.; Matsui, K.; Mengoni, D.; Morfouace, P.; Napoli, D. R.; Naqvi, F.; Nishibata, H.; Odahara, A.; Sakurai, H.; Schaffner, H.; Söderström, P.-A.; Sohler, D.; Stefan, I. G.; Sumikama, T.; Suzuki, D.; Taniuchi, R.; Taprogge, J.; Vajta, Z.; Watanabe, H.; Werner, V.; Wu, J.; Yagi, A.; Yalcinkaya, M.; Yoshinaga, K.

2017-06-01

The level structure of the neutron-rich 77Cu nucleus is investigated through β -delayed γ -ray spectroscopy at the Radioactive Isotope Beam Factory of the RIKEN Nishina Center. Ions of 77Ni are produced by in-flight fission, separated and identified in the BigRIPS fragment separator, and implanted in the WAS3ABi silicon detector array, surrounded by Ge cluster detectors of the EURICA array. A large number of excited states in 77Cu are identified for the first time by correlating γ rays with the β decay of 77Ni, and a level scheme is constructed by utilizing their coincidence relationships. The good agreement between large-scale Monte Carlo shell model calculations and experimental results allows for the evaluation of the single-particle structure near 78Ni and suggests a single-particle nature for both the 5 /21- and 3 /21- states in 77Cu, leading to doubly magic 78Ni.

Theoretical study of γ-aminobutyric acid conformers: Intramolecular interactions and ionization energies

NASA Astrophysics Data System (ADS)

Wang, Ke-Dong; Wang, Mei-Ting; Meng, Ju

2014-10-01

Allowing for all combinations of internal single-bond rotamers, 1,296 unique trial structures of γ-Aminobutyric acid (GABA) are obtained. All of these structures are optimized at the M06-2X level of theory and a total of 68 local minimal conformers are found. The nine low-lying conformers are used for further studies. According to the calculated relative Gibbs free energies at M06-2X level of theory, we find that the dispersion is important for the relative energy of GABA. The intramolecular hydrogen bonds and hyperconjugative interaction and their effects on the conformational stability are studied. The results show that both of them have great influence on the conformers. The vertical ionization energies (VIE) are calculated and match the experimental data well. The results show that the neutral GABA in the gas phase is a multi-conformer system and at least four conformations exist.

Shape coexistence close to N = 50 in the neutron-rich isotope 80Ge investigated by IBM-2

NASA Astrophysics Data System (ADS)

Zhang, Da-Li; Mu, Cheng-Fu

2018-02-01

The properties of the low-lying states, especially the relevant shape coexistence in 80Ge, close to one of most neutron-rich doubly magic nuclei at N = 50 and Z = 28, have been investigated within the framework of the proton-neutron interacting model (IBM-2). Based on the fact that the relative energy of the d neutron boson is different from that of the proton boson, the calculated energy levels of low-lying states and E2 transition strengths can reproduce the experimental data very well. Particularly, the first excited state {0}2+, which is intimately related to the shape coexistence phenomenon, is reproduced quite nicely. The {ρ }2(E0,{0}2+\\to {0}1+) transition strength is also predicted. The experimental data and theoretical results indicate that both collective spherical and γ-soft vibration structures coexist in 80Ge. Supported by National Natural Science Foundation of China (11475062, 11647306, 11147148)

Top-down causation and emergence: some comments on mechanisms

PubMed Central

Ellis, George F. R.

2012-01-01

Both bottom-up and top-down causation occur in the hierarchy of structure and causation. A key feature is multiple realizability of higher level functions, and consequent existence of equivalence classes of lower level variables that correspond to the same higher level state. Five essentially different classes of top-down influence can be identified, and their existence demonstrated by many real-world examples. They are: algorithmic top-down causation; top-down causation via non-adaptive information control, top-down causation via adaptive selection, top-down causation via adaptive information control and intelligent top-down causation (the effect of the human mind on the physical world). Through the mind, abstract entities such as mathematical structures have causal power. The causal slack enabling top-down action to take place lies in the structuring of the system so as to attain higher level functions; in the way the nature of lower level elements is changed by context, and in micro-indeterminism combined with adaptive selection. Understanding top-down causation can have important effects on society. Two cases will be mentioned: medical/healthcare issues, and education—in particular, teaching reading and writing. In both cases, an ongoing battle between bottom-up and top-down approaches has important consequences for society. PMID:23386967

Deep level transient spectroscopy (DLTS) on colloidal-synthesized nanocrystal solids.

PubMed

Bozyigit, Deniz; Jakob, Michael; Yarema, Olesya; Wood, Vanessa

2013-04-24

We demonstrate current-based, deep level transient spectroscopy (DLTS) on semiconductor nanocrystal solids to obtain quantitative information on deep-lying trap states, which play an important role in the electronic transport properties of these novel solids and impact optoelectronic device performance. Here, we apply this purely electrical measurement to an ethanedithiol-treated, PbS nanocrystal solid and find a deep trap with an activation energy of 0.40 eV and a density of NT = 1.7 × 10(17) cm(-3). We use these findings to draw and interpret band structure models to gain insight into charge transport in PbS nanocrystal solids and the operation of PbS nanocrystal-based solar cells.

Towards an emergent model of solitonic particles from non-trivial vacuum structure

NASA Astrophysics Data System (ADS)

Gillard, Adam B.; Gresnigt, Niels G.

2017-12-01

We motivate and introduce what we refer to as the principles of Lie-stability and Hopf-stability and see what the physical theories must look like. Lie-stability is needed on the classical side and Hopf-stability is needed on the quantum side. We implement these two principles together with Lie-deformations consistent with basic constraints on the classical kinematical variables to arrive at the form of a theory that identifies standard model fermions with quantum solitonic trefoil knotted flux tubes which emerge from a flux tube vacuum network. Moreover, twisted unknot fluxtubes form natural dark matter candidates

Project CONVERGE: Impacts of local oceanographic processes on Adélie penguin foraging ecology

NASA Astrophysics Data System (ADS)

Kohut, J. T.; Bernard, K. S.; Fraser, W.; Oliver, M. J.; Statscewich, H.; Patterson-Fraser, D.; Winsor, P.; Cimino, M. A.; Miles, T. N.

2016-02-01

During the austral summer of 2014-2015, project CONVERGE deployed a multi-platform network to sample the Adélie penguin foraging hotspot associated with Palmer Deep Canyon along the Western Antarctic Peninsula. The focus of CONVERGE was to assess the impact of prey-concentrating ocean circulation dynamics on Adélie penguin foraging behavior. Food web links between phytoplankton and zooplankton abundance and penguin behavior were examined to better understand the within-season variability in Adélie foraging ecology. Since the High Frequency Radar (HFR) network installation in November 2014, the radial component current data from each of the three sites were combined to provide a high resolution (0.5 km) surface velocity maps. These hourly maps have revealed an incredibly dynamic system with strong fronts and frequent eddies extending across the Palmer Deep foraging area. A coordinated fleet of underwater gliders were used in concert with the HFR fields to sample the hydrography and phytoplankton distributions associated with convergent and divergent features. Three gliders mapped the along and across canyon variability of the hydrography, chlorophyll fluorescence and acoustic backscatter in the context of the observed surface currents and simultaneous penguin tracks. This presentation will highlight these synchronized measures of the food web in the context of the observed HFR fronts and eddies. The location and persistence of these features coupled with ecological sampling through the food web offer an unprecedented view of the Palmer Deep ecosystem. Specific examples will highlight how the vertical structure of the water column beneath the surface features stack the primary and secondary producers relative to observed penguin foraging behavior. The coupling from the physics through the food web as observed by our multi-platform network gives strong evidence for the critical role that distribution patterns of lower trophic levels have on Adélie foraging.

The foundation and evolution of the Middlesex Hospital's lying-in service, 1745-86.

PubMed

Croxson, B

2001-01-01

The Middlesex Hospital was founded in 1745, and opened the first British in-patient lying-in service in 1747. Men-Midwives were instrumental in founding and supporting the service. The hospital's lying-in service featured prominently in its fundraising literature, and the level of demand from benefactors suggests it was popular. From 1764 the hospital also provided domiciliary services, initially to cope with excess demand and later to compete with domiciliary charities. In 1786 it closed the in-patient services, and from this date provided only domiciliary lying-in services. From 1757, in common with the London lying-in hospitals, the Middlesex Hospital faced competition from a domiciliary charity: The Lying-In Charity for Delivering Poor Married Women in Their Own Homes. Later in the century it also faced competition from dispensaries. This paper describes the foundation and evolution of the Middlesex Hospital's lying-in service, including quantitative information about admissions and about the hospitals income and expenditure during the eighteenth century. It compares the characteristics of domiciliary and in-patient services, to analyse why in-patient services were supported by men-midwives and by benefactors.

Wronski Brackets and the Ferris Wheel

NASA Astrophysics Data System (ADS)

Martin, Keye

2005-11-01

We connect the Bayesian order on classical states to a certain Lie algebra on C^infty[0,1]. This special Lie algebra structure, made precise by an idea we introduce called a Wronski bracket, suggests new phenomena the Bayesian order naturally models. We then study Wronski brackets on associative algebras, and in the commutative case, discover the beautiful result that they are equivalent to derivations.

Reexamine structures and relative stability of medium-sized silicon clusters: Low-lying endohedral fullerene-like clusters Si 30-Si 38

NASA Astrophysics Data System (ADS)

Yoo, Soohaeng; Shao, Nan; Zeng, X. C.

2009-10-01

We report improved results of lowest-lying silicon clusters Si 30-Si 38. A large population of low-energy clusters are collected from previous searches by several research groups and the binding energies of these clusters are computed using density-functional theory (DFT) methods. Best candidates (isomers with high binding energies) are identified from the screening calculations. Additional constrained search is then performed for the best candidates using the basin-hopping method combined with DFT geometry optimization. The obtained low-lying clusters are classified according to binding energies computed using either the Perdew-Burke-Ernzerhof (PBE) functional or the Becke exchange and Lee-Yang-Parr correlation (BLYP) functional. We propose to rank low-lying clusters according to the mean PBE/BLYP binding energies in view that the PBE functional tends to give greater binding energies for more compact clusters whereas the BLYP functional tends to give greater binding energies for less compact clusters or clusters composed of small-sized magic-number clusters. Except for Si 30, the new search confirms again that medium-size silicon clusters Si 31-Si 38 constructed with proper fullerene cage motifs are most promising to be the lowest-energy structures.

The nuclear structure of 227Fr

NASA Astrophysics Data System (ADS)

Kurcewicz, W.; Grant, I. S.; Gulda, K.; Aas, A. J.; Billowes, J.; Borge, M. J. G.; Burke, D. G.; Butler, P. A.; Cocks, J. F. C.; Fogelberg, B.; Freeman, S. J.; Jones, G. D.; Hagebø, E.; Hoff, P.; Hønsi, J.; Lindroth, A.; Løvhøiden, G.; Mach, H.; Martinez, T.; Naumann, R. A.; Nybø, K.; Nyman, G.; Ravn, H.; Rubio, B.; Simpson, J.; Smith, A. G.; Smith, J. F.; Steffensen, K.; Tain, J. L.; Tengblad, O.; Thorsteinsen, T. F.; Isolde Collaboration

1997-02-01

The γ-rays following the β- decay of 227Rn have been investigated by means of γ-ray singles and γγ-coincidence measurements using an array of 12 Compton-suppressed Ge detectors. The fast-timing βγγ( t) method has been used to measure six level lifetimes. Multipolarities of 32 transitions in 227Fr have been established by measuring conversion electrons with a mini-orange electron spectrometer. Most of the observed transitions have been placed in a level scheme comprising 38 excited states of 227Fr. The low-lying levels are interpreted in terms of seven rotational bands. The observed E1 strengths for two transitions connecting the K π = {3}/{2}± bands are consistent with the transitional character of 227Fr, and confirm the presence of octupole correlations in this nucleus.

Intermediate-phase method for computing the natural band offset between two materials with dissimilar structures

NASA Astrophysics Data System (ADS)

Gu, Hui-Jun; Zhang, Yue-Yu; Chen, Shi-You; Xiang, Hong-Jun; Gong, Xin-Gao

2018-06-01

The band offset between different semiconductors is an important physical quantity determining carrier transport properties near the interface in heterostructure devices. Computation of the natural band offset is a longstanding challenge. We propose an intermediate-phase method to predict the natural band offset between two structures with different symmetry, for which the superlattice model cannot be directly constructed. With this method and the intermediate phases obtained by our searching algorithm, we successfully calculate the natural band offsets for two representative systems: (i) zinc-blende CdTe and wurtzite CdS and (ii) diamond and graphite. The calculation shows that the valence band maximum (VBM) of zinc-blende CdTe lies 0.71 eV above that of wurtzite CdS, close to the result 0.76 eV obtained by the three-step method. For the natural band offset between diamond and graphite which could not be computed reliably with any superlattice methods, our calculation shows that the Fermi level of graphite lies 1.51 eV above the VBM of diamond using an intermediate phase. This method, under the assumption that the transitivity rule is valid, can be used to calculate the band offsets between any semiconductors with different symmetry on condition that the intermediate phase is reasonably designed.

Lay or Lie?

ERIC Educational Resources Information Center

Dubois, Barbara R.

1983-01-01

THE FOLLOWING IS THE FULL TEXT OF THIS DOCUMENT: LEVEL: High school and college. AUTHOR'S COMMENT: Many would like to abandon the distinction between "lay" and "lie," but I still receive enough questions about it to continue teaching it. Finding that students did not believe me when I taught them to substitute…

Electronic structure of the [MNH2]+ (M = Sc-Cu) complexes.

PubMed

Hendrickx, Marc F A; Clima, Sergiu

2006-11-23

B3LYP geometry optimizations for the [MNH2]+ complexes of the first-row transition metal cations (Sc+-Cu+) were performed. Without any exception the ground states of these unsaturated amide complexes were calculated to possess planar geometries. CASPT2 binding energies that were corrected for zero-point energies and including relativistic effects show a qualitative trend across the series that closely resembles the experimental observations. The electronic structures for the complexes of the early and middle transition metal cations (Sc+-Co+) differ from the electronic structures derived for the complexes of the late transition metal cations (Ni+ and Cu+). For the former complexes the relative higher position of the 3d orbitals above the singly occupied 2p(pi) HOMO of the uncoordinated NH2 induces an electron transfer from the 3d shell to 2p(pi). The stabilization of the 3d orbitals from the left to the right along the first-row transition metal series causes these orbitals to become situated below the HOMO of the NH2 ligand for Ni+ and Cu+, preventing a transfer from occurring in the [MNH2]+ complexes of these metal cations. Analysis of the low-lying states of the amide complexes revealed a rather unique characteristic of their electronic structures that was found across the entire series. Rather exceptionally for the whole of chemistry, pi-type interactions were calculated to be stronger than the corresponding sigma-type interactions. The origin of this extraordinary behavior can be ascribed to the low-lying sp2 lone pair orbital of the NH2 ligand with respect to the 3d level.

A Lie based 4-dimensional higher Chern-Simons theory

NASA Astrophysics Data System (ADS)

Zucchini, Roberto

2016-05-01

We present and study a model of 4-dimensional higher Chern-Simons theory, special Chern-Simons (SCS) theory, instances of which have appeared in the string literature, whose symmetry is encoded in a skeletal semistrict Lie 2-algebra constructed from a compact Lie group with non discrete center. The field content of SCS theory consists of a Lie valued 2-connection coupled to a background closed 3-form. SCS theory enjoys a large gauge and gauge for gauge symmetry organized in an infinite dimensional strict Lie 2-group. The partition function of SCS theory is simply related to that of a topological gauge theory localizing on flat connections with degree 3 second characteristic class determined by the background 3-form. Finally, SCS theory is related to a 3-dimensional special gauge theory whose 2-connection space has a natural symplectic structure with respect to which the 1-gauge transformation action is Hamiltonian, the 2-curvature map acting as moment map.

Excitation energy shift and size difference of low-energy levels in p -shell Λ hypernuclei

NASA Astrophysics Data System (ADS)

Kanada-En'yo, Yoshiko

2018-02-01

Structures of low-lying 0 s -orbit Λ states in p -shell Λ hypernuclei (ZAΛ) are investigated by applying microscopic cluster models for nuclear structure and a single-channel folding potential model for a Λ particle. For A >10 systems, the size reduction of core nuclei is small, and the core polarization effect is regarded as a higher-order perturbation in the Λ binding. The present calculation qualitatively describes the systematic trend of experimental data for excitation energy change from Z-1A to ZAΛ, in A >10 systems. The energy change shows a clear correlation with the nuclear size difference between the ground and excited states. In Li7Λ and Be9Λ, the significant shrinkage of cluster structures occurs consistently with the prediction of other calculations.

Geologic map of the Snoqualmie Pass 30 x 60 minute quadrangle, Washington

USGS Publications Warehouse

Tabor, R.W.; Frizzell, V.A.; Booth, D.B.; Waitt, R.B.

2000-01-01

The Snoqualmie Pass quadrangle lies at the north edge of a Tertiary volcanic and sedimentary cover, where the regional structural uplift to the north elevated the older rocks to erosional levels. Much of the quadrangle is underlain by folded Eocene volcanic rocks and fluvial deposts of an extensional event, and these rocks are overlain by Cascade arc volcanic rocks: mildly deformed Oligocene-Miocene rocks and undeformed younger volcanic rocks. Melanges of Paleozoic and Mesozoic rocks are exposed in structural highs in the northern part of the quadrangle. The quadrangle is traversed north to south by the Straight Creek Fault, and the probably partially coincident Darringon-Devils Mountain Fault. A rich Quaternary stratigraphy reveals events of the Frazer glaciation.

Optical transitions in highly charged californium ions with high sensitivity to variation of the fine-structure constant.

PubMed

Berengut, J C; Dzuba, V A; Flambaum, V V; Ong, A

2012-08-17

We study electronic transitions in highly charged Cf ions that are within the frequency range of optical lasers and have very high sensitivity to potential variations in the fine-structure constant, α. The transitions are in the optical range despite the large ionization energies because they lie on the level crossing of the 5f and 6p valence orbitals in the thallium isoelectronic sequence. Cf(16+) is a particularly rich ion, having several narrow lines with properties that minimize certain systematic effects. Cf(16+) has very large nuclear charge and large ionization energy, resulting in the largest α sensitivity seen in atomic systems. The lines include positive and negative shifters.

Chronic ethanol feeding causes depression of mitochondrial elongation factor Tu in the rat liver: implications for the mitochondrial ribosome.

PubMed

Weiser, Brian; Gonye, Gregory; Sykora, Peter; Crumm, Sara; Cahill, Alan

2011-05-01

Chronic ethanol feeding is known to negatively impact hepatic energy metabolism. Previous studies have indicated that the underlying lesion responsible for this may lie at the level of the mitoribosome. The aim of this study was to characterize the structure of the hepatic mitoribosome in alcoholic male rats and their isocalorically paired controls. Our experiments revealed that chronic ethanol feeding resulted in a significant depletion of both structural (death-associated protein 3) and functional [elongation factor thermo unstable (EF-Tu)] mitoribosomal proteins. In addition, significant increases were found in nucleotide elongation factor thermo stable (EF-Ts) and structural mitochondrial ribosomal protein L12 (MRPL12). The increase in MRPL12 was found to correlate with an increase in the levels of the 39S large mitoribosomal subunit. These changes were accompanied by decreased levels of nuclear- and mitochondrially encoded respiratory subunits, decreased amounts of intact respiratory complexes, decreased hepatic ATP levels, and depressed mitochondrial translation. Mathematical modeling of ethanol-mediated changes in EF-Tu and EF-Ts using prederived kinetic data predicted that the ethanol-mediated decrease in EF-Tu levels could completely account for the impaired mitochondrial protein synthesis. In conclusion, chronic ethanol feeding results in a depletion of mitochondrial EF-Tu levels within the liver that is mathematically predicted to be responsible for the impaired mitochondrial protein synthesis seen in alcoholic animals.

Iron monocyanide (FeCN): Spin-orbit and vibronic interactions in low-lying electronic states

NASA Astrophysics Data System (ADS)

Jerosimić, Stanka V.; Milovanović, Milan Z.

2018-04-01

The spin-orbit eigenvalues of low-energy quartet and sextet spatially degenerate electronic states of FeCN are reported, together with the combined effect of vibronic and spin-orbit interaction in the lowest-lying 14Δ and 16Δ states of FeCN, by using perturbational and variational method. Spin-orbit constants (ASO) have been calculated in the basis of: (a) two components of each degenerate state, (b) four components of 14Δ and 14Π (16Δ and 16Π) states, and (c) ten components of 16Δ, 16Π, 16Σ+, 14Δ, 14Π, and 14Σ+ states. The present calculations predict the values of ASO= -77 cm-1 for 16Δ and ASO= -108 cm-1 for 14Δ state in the lowest-energy spin-orbit manifolds of each state. The major perturbing state for the 14Δ state is the 14Π state (16Π for the sextet 16Δ). As expected, based on extremely small splitting and shallowness of the bending potential energy curves for the lowest-lying 4,6Δ states, the present study indicate that the vibronic coupling does not create significant splitting of the bending levels, but the influence of anharmonicity in the bending mode is more pronounced. However, the spin-orbit fine structure dominantly influences the spectra of this species.

Collectivity of light Ge and As isotopes

NASA Astrophysics Data System (ADS)

Corsi, A.; Delaroche, J.-P.; Obertelli, A.; Baugher, T.; Bazin, D.; Boissinot, S.; Flavigny, F.; Gade, A.; Girod, M.; Glasmacher, T.; Grinyer, G. F.; Korten, W.; Libert, J.; Ljungvall, J.; McDaniel, S.; Ratkiewicz, A.; Signoracci, A.; Stroberg, R.; Sulignano, B.; Weisshaar, D.

2013-10-01

Background: The self-conjugate nuclei of the A˜70 mass region display rapid shape evolution over isotopic or isotonic chains. Shape coexistence has been observed in Se and Kr isotopes reflecting the existence of deformed subshell gaps corresponding to different shell configurations. As and Ge isotopes are located halfway between such deformed nuclei and the Z=28 shell closure.Purpose: The present work aims at clarifying the low-lying spectroscopy of 66Ge and 67As, and providing a better insight into the evolution of collectivity in light even-even Ge and even-odd As isotopes.Methods: We investigate the low-lying levels and collectivity of the neutron deficient 67As and 66Ge through intermediate-energy Coulomb excitation, inelastic scattering, and proton knockout measurements. The experiment was performed using a cocktail beam of 68Se, 67As, and 66Ge nuclei at an energy of 70-80 MeV/nucleon. Spectroscopic properties of the low-lying states are compared to those calculated via shell model with the JUN45 interaction and beyond-mean-field calculations with the five-dimensional collective Hamiltonian method implemented using the Gogny D1S interaction. The structure evolution of the lower-mass Ge and As isotopes is discussed.Results: Reduced electric quadrupole transition probabilities B(E2) have been extracted from the Coulomb-excitation cross sections measured in 66Ge and 67As. The value obtained for the B(E2;01+→21+) in 66Ge is in agreement with a recent measurement, ruling out the existence of a minimum at N=34 in the B(E2) systematics as previously observed. New transitions have been found in 67As and were assigned to the decay of low-lying negative-parity states.

Generating a New Higher-Dimensional Coupled Integrable Dispersionless System: Algebraic Structures, Bäcklund Transformation and Hidden Structural Symmetries

NASA Astrophysics Data System (ADS)

Souleymanou, Abbagari; Thomas, B. Bouetou; Timoleon, C. Kofane

2013-08-01

The prolongation structure methodologies of Wahlquist—Estabrook [H.D. Wahlquist and F.B. Estabrook, J. Math. Phys. 16 (1975) 1] for nonlinear differential equations are applied to a more general set of coupled integrable dispersionless system. Based on the obtained prolongation structure, a Lie-Algebra valued connection of a closed ideal of exterior differential forms related to the above system is constructed. A Lie-Algebra representation of some hidden structural symmetries of the previous system, its Bäcklund transformation using the Riccati form of the linear eigenvalue problem and their general corresponding Lax-representation are derived. In the wake of the previous results, we extend the above prolongation scheme to higher-dimensional systems from which a new (2 + 1)-dimensional coupled integrable dispersionless system is unveiled along with its inverse scattering formulation, which applications are straightforward in nonlinear optics where additional propagating dimension deserves some attention.

Constructing an explicit AdS/CFT correspondence with Cartan geometry

NASA Astrophysics Data System (ADS)

Hazboun, Jeffrey S.

2018-04-01

An explicit AdS/CFT correspondence is shown for the Lie group SO (4 , 2). The Lie symmetry structures allow for the construction of two physical theories through the tools of Cartan geometry. One is a gravitational theory that has anti-de Sitter symmetry. The other is also a gravitational theory but is conformally symmetric and lives on 8-dimensional biconformal space. These "extra" four dimensions have the degrees of freedom used to construct a Yang-Mills theory. The two theories, based on AdS or conformal symmetry, have a natural correspondence in the context of their Lie algebras alone where neither SUSY, nor holography, is necessary.

Searching for evidence of curricular effect on the teaching and learning of mathematics: some insights from the LieCal project

NASA Astrophysics Data System (ADS)

Cai, Jinfa

2014-12-01

Drawing on evidence from the Longitudinal Investigation of the Effect of Curriculum on Algebra Learning (LieCal) Project, issues related to mathematics curriculum reform and student learning are discussed. The LieCal Project was designed to longitudinally investigate the impact of a reform mathematics curriculum called the Connected Mathematics Project (CMP) in the USA on teachers' teaching and students' learning. Using a three-level conceptualization of curriculum (intended, implemented, and attained), a variety of evidence from the LieCal Project is presented to show the impact of mathematics curriculum reform on teachers' teaching and students' learning. This paper synthesizes findings from the two longitudinal studies spanning 7 years of the LieCal Project both to show the kind of impact curriculum has on teachers' teaching and students' learning and to suggest powerful but feasible ways researchers can investigate curriculum effect on both teaching and learning.

Tidal dynamics in a changing lagoon: Flooding or not flooding the marginal regions

NASA Astrophysics Data System (ADS)

Lopes, Carina L.; Dias, João M.

2015-12-01

Coastal lagoons are low-lying systems under permanent changes motivated by natural and anthropogenic factors. Ria de Aveiro is such an example with its margins currently threatened by the advance of the lagoonal waters recorded during the last decades. This work aims to study the tidal modifications found between 1987 and 2012 in this lagoon, motivated by the main channels deepening which induce higher inland tidal levels. Additionally it aims to study the impact that protective walls designed to protect the margins against flooding may have in those modifications under sea level rise predictions. The hydrodynamic model ELCIRC previously calibrated for Ria de Aveiro was used and tidal asymmetry, tidal ellipses and residual currents were analyzed for different scenarios, considering the mean sea level rise predicted for 2100 and the implementation of probable flood protection walls. Results evidenced that lagoon dominance remained unchanged between 1987 and 2012, but distortion decreased/increased in the deeper/shallower channels. The same trend was found under mean sea level rise conditions. Tidal currents increased over this period inducing an amplification of the water properties exchange within the lagoon, which will be stronger under mean sea level rise conditions. The deviations between scenarios with or without flood protection walls can achieve 60% for the tidal distortion and residual currents and 20% for the tidal currents, highlighting that tidal properties are extremely sensitive to the lagoon geometry. In summary, the development of numerical modelling applications dedicated to study the influence of mean sea level rise on coastal low-lying systems subjected to human influence should include structural measures designed for flood defence in order to accurately predict changes in the local tidal properties.

Vibrational Fingerprints of Low-Lying Pt(n)P(2n) (n = 1-5) Cluster Structures from Global Optimization Based on Density Functional Theory Potential Energy Surfaces.

PubMed

Jedidi, Abdesslem; Li, Rui; Fornasiero, Paolo; Cavallo, Luigi; Carbonniere, Philippe

2015-12-03

Vibrational fingerprints of small Pt(n)P(2n) (n = 1-5) clusters were computed from their low-lying structures located from a global exploration of their DFT potential energy surfaces with the GSAM code. Five DFT methods were assessed from the CCSD(T) wavenumbers of PtP2 species and CCSD relative energies of Pt2P4 structures. The eight first Pt(n)P(2n) isomers found are reported. The vibrational computations reveal (i) the absence of clear signatures made by overtone or combination bands due to very weak mechanical and electrical anharmonicities and (ii) some significant and recurrent vibrational fingerprints in correlation with the different PP bonding situations in the Pt(n)P(2n) structures.

Lexical Semantics and Irregular Inflection

PubMed Central

Huang, Yi Ting; Pinker, Steven

2010-01-01

Whether a word has an irregular inflection does not depend on its sound alone: compare lie-lay (recline) and lie-lied (prevaricate). Theories of morphology, particularly connectionist and symbolic models, disagree on which nonphonological factors are responsible. We test four possibilities: (1) Lexical effects, in which two lemmas differ in whether they specify an irregular form; (2) Semantic effects, in which the semantic features of a word become associated with regular or irregular forms; (3) Morphological structure effects, in which a word with a headless structure (e.g., a verb derived from a noun) blocks access to a stored irregular form; (4) Compositionality effects, in which the stored combination of an irregular word’s meaning (e.g., the verb’s inherent aspect) with the meaning of the inflection (e.g., pastness) doesn’t readily transfer to new senses with different combinations of such meanings. In four experiments, speakers were presented with existing and novel verbs and asked to rate their past-tense forms, semantic similarities, grammatical structure, and aspectual similarities. We found (1) an interaction between semantic and phonological similarity, coinciding with reported strategies of analogizing to known verbs and implicating lexical effects; (2) weak and inconsistent effects of semantic similarity; (3) robust effects of morphological structure, and (4) robust effects of aspectual compositionality. Results are consistent with theories of language that invoke lexical entries and morphological structure, and which differentiate the mode of storage of regular and irregular verbs. They also suggest how psycholinguistic processes have shaped vocabulary structure over history. PMID:21151703

Lie construction affects information storage under high memory load condition.

PubMed

Liu, Yuqiu; Wang, Chunjie; Jiang, Haibo; He, Hongjian; Chen, Feiyan

2017-01-01

Previous studies indicate that lying consumes cognitive resources, especially working memory (WM) resources. Considering the dual functions that WM might play in lying: holding the truth-related information and turning the truth into lies, the present study examined the relationship between the information storage and processing in the lie construction. To achieve that goal, a deception task based on the old/new recognition paradigm was designed, which could manipulate two levels of WM load (low-load task using 4 items and high-load task using 6 items) during the deception process. The analyses based on the amplitude of the contralateral delay activity (CDA), a proved index of the number of representations being held in WM, showed that the CDA amplitude was lower in the deception process than that in the truth telling process under the high-load condition. In contrast, under the low-load condition, no CDA difference was found between the deception and truth telling processes. Therefore, we deduced that the lie construction and information storage compete for WM resources; when the available WM resources cannot meet this cognitive demand, the WM resources occupied by the information storage would be consumed by the lie construction.

Lie construction affects information storage under high memory load condition

PubMed Central

Liu, Yuqiu; Wang, Chunjie; Jiang, Haibo; He, Hongjian; Chen, Feiyan

2017-01-01

Previous studies indicate that lying consumes cognitive resources, especially working memory (WM) resources. Considering the dual functions that WM might play in lying: holding the truth-related information and turning the truth into lies, the present study examined the relationship between the information storage and processing in the lie construction. To achieve that goal, a deception task based on the old/new recognition paradigm was designed, which could manipulate two levels of WM load (low-load task using 4 items and high-load task using 6 items) during the deception process. The analyses based on the amplitude of the contralateral delay activity (CDA), a proved index of the number of representations being held in WM, showed that the CDA amplitude was lower in the deception process than that in the truth telling process under the high-load condition. In contrast, under the low-load condition, no CDA difference was found between the deception and truth telling processes. Therefore, we deduced that the lie construction and information storage compete for WM resources; when the available WM resources cannot meet this cognitive demand, the WM resources occupied by the information storage would be consumed by the lie construction. PMID:28727794

Structure, vibrational spectrum, and ring puckering barrier of cyclobutane.

PubMed

Blake, Thomas A; Xantheas, Sotiris S

2006-09-07

We present the results of high level ab initio calculations for the structure, harmonic and anharmonic spectroscopic constants, and ring puckering barrier of cyclobutane (C4H8) in an effort to establish the minimum theoretical requirements needed for their accurate description. We have found that accurate estimates for the barrier between the minimum (D(2d)) and transition state (D(4h)) configurations require both higher levels of electron correlation [MP4, CCSD(T)] and orbital basis sets of quadruple-zeta quality or larger. By performing CCSD(T) calculations with basis sets as large as cc-pV5Z, we were able to obtain, for the first time, a value for the puckering barrier that lies within 10 cm(-1) (or 2%) from experiment, whereas the best previously calculated values were in errors exceeding 40% of experiment. Our best estimate of 498 cm(-1) for the puckering barrier is within 10 cm(-1) of the experimental value proposed originally, but it lies approximately 50 cm(-1) higher than the revisited value, which was obtained more recently using different assumptions regarding the coupling between the various modes. It is therefore suggested that revisiting the analysis of the experimental data might be warranted. Our best computed values (at the CCSD(T)/aug-cc-pVTZ level of theory) for the equilibrium structural parameters of C4H8 are r(C-C) = 1.554 A, r(C-H(alpha)) = 1.093 A, r(C-H(beta)) = 1.091 A, phi(C-C-C) = 88.1 degrees , alpha(H(alpha)-C-H(beta)) = 109.15 degrees , and theta = 29.68 degrees for the puckering angle. We have found that the puckering angle theta is more sensitive to the level of electron correlation than to the size of the basis set for a given method. We furthermore present anharmonic calculations that are based on a second-order perturbative evaluation of rovibrational parameters and their effects on the vibrational spectra and average structure. We have found that the anharmonic calculations predict the experimentally measured fundamental band origins within 1% (< or =30 cm(-1)) for most vibrations. The results of the current study can serve as a guide for future calculations on the substituted four-member ring hydrocarbon compounds. To this end we present a method for estimating the puckering barrier height at higher levels of electron correlation [MP4, CCSD(T)] from the MP2 results that can be used in chemically similar compounds.

Structures, Energetics and Spectroscopic Fingerprints of Water Clusters n=2-24

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

Yoo, Soohaeng; Xantheas, Sotiris S.

This chapter discusses the structures, energetics, and vibrational spectra of the first few (n$24) water clusters obtained from high-level electronic structure calculations. The results are discussed in the perspective of being used to parameterize/assess the accuracy of classical and quantum force fields for water. To this end, a general introduction with the classification of those force fields is presented. Several low-lying families of minima for the medium cluster sizes are considered. The transition from the “all surface” to the “fully coordinated” cluster structures occurring at nD17 and its spectroscopic signature is presented. The various families of minima for nD20 aremore » discussed together with the low energy networks of the pentagonal dodecahedron (H2O)20 water cage. Finally, the low-energy networks of the tetrakaidecahedron (T-cage) (H2O)24 cluster are shown and their significance in the construction of periodic lattices of structure I (sI) of the hydrate lattices is discussed.« less

Adiabatic Quantum Computing via the Rydberg Blockade

NASA Astrophysics Data System (ADS)

Keating, Tyler; Goyal, Krittika; Deutsch, Ivan

2012-06-01

We study an architecture for implementing adiabatic quantum computation with trapped neutral atoms. Ground state atoms are dressed by laser fields in a manner conditional on the Rydberg blockade mechanism, thereby providing the requisite entangling interactions. As a benchmark we study the performance of a Quadratic Unconstrained Binary Optimization (QUBO) problem whose solution is found in the ground state spin configuration of an Ising-like model. We model a realistic architecture, including the effects of magnetic level structure, with qubits encoded into the clock states of ^133Cs, effective B-fields implemented through microwaves and light shifts, and atom-atom coupling achieved by excitation to a high-lying Rydberg level. Including the fundamental effects of photon scattering we find a high fidelity for the two-qubit implementation.

The tert-butyl cation on zeolite Y: A theoretical and experimental study

NASA Astrophysics Data System (ADS)

Rosenbach, Nilton, Jr.; dos Santos, Alex P. A.; Franco, Marcelo; Mota, Claudio J. A.

2010-01-01

The structure and energy of the tert-butyl cation on zeolite Y were calculated at ONIOM(MP2(FULL)/6-31G( d, p):MNDO) level. The results indicated that the tert-butyl cation is a minimum and lies between 40 and 51 kJ mol -1 above in energy to the tert-butoxide, depending on the level of calculation. Both species are stabilized through hydrogen bonding interactions with the framework oxygen atoms. Experimental data of nucleophilic substitution of tert-butylchloride and bromide over NaY impregnated with NaCl or NaBr give additional support for the formation of the tert-butyl cation as a discrete intermediate on zeolite Y, in agreement with the calculations.

Correlated electron-hole mechanism for molecular doping in organic semiconductors

NASA Astrophysics Data System (ADS)

Li, Jing; D'Avino, Gabriele; Pershin, Anton; Jacquemin, Denis; Duchemin, Ivan; Beljonne, David; Blase, Xavier

2017-07-01

The electronic and optical properties of the paradigmatic F4TCNQ-doped pentacene in the low-doping limit are investigated by a combination of state-of-the-art many-body ab initio methods accounting for environmental screening effects, and a carefully parametrized model Hamiltonian. We demonstrate that while the acceptor level lies very deep in the gap, the inclusion of electron-hole interactions strongly stabilizes dopant-semiconductor charge transfer states and, together with spin statistics and structural relaxation effects, rationalize the possibility for room-temperature dopant ionization. Our findings reconcile available experimental data, shedding light on the partial vs. full charge transfer scenario discussed in the literature, and question the relevance of the standard classification in shallow or deep impurity levels prevailing for inorganic semiconductors.

Earthshots: Satellite images of environmental change – Imperial Valley, California, USA

USGS Publications Warehouse

,

2013-01-01

At the bottom of the sink lies the Salton Sea, the largest lake in California. It lacks an outlet to the ocean and lies 70 m below sea level. About 85% of the sea’s inflows come from agricultural runoff, and its waters are 37% saltier than the Pacific Ocean.

Telling the public about risks

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

Ahearne, J.F.

1990-09-01

The Three Mile Island and Chernobyl reactor accidents are used along with several non-nuclear hazards and risks to illustrate that, indeed, communication is a two-way process. The interplay of bureaucratic structures and the U.S. legal system is one cause of the problem. Dispersion of responsibility when two or more agencies are involved is another problem. Even when a single agency is responsible, the available level citizen participation may be murky. Communications must be honest; credibility is strengthened by honesty and lost by lying. But between these two ends of the spectrum be persuasion, manipulation, and deceit. 3 refs.

Dynamic molecular structure retrieval from low-energy laser-induced electron diffraction spectra

NASA Astrophysics Data System (ADS)

Vu, Dinh-Duy T.; Phan, Ngoc-Loan T.; Hoang, Van-Hung; Le, Van-Hoang

2017-12-01

A recently developed quantitative rescattering theory showed that a laser-free elastic cross section can be separated from laser-induced electron diffraction (LIED) spectra. Based upon this idea, Blaga et al investigated the possibility of reconstructing molecular structure from LIED spectra (2012 Nature 483 7388). In the above study, an independent atoms model (IAM) was used to interpret high-energy electron-molecule collisions induced by a mid-infrared laser. Our research aims to extend the application range of this structural retrieval method to low-energy spectra induced by more common near-infrared laser sources. The IAM is insufficient in this case, so we switch to a more comprehensive model—the multiple scattering (MS) theory. From the original version concerning only neutral targets, we upgrade the model so that it is compatible with electron-ion collisions at low energy. With available LIED experiment data of CO2 and O2, the upgraded MS is shown to be greatly effective as a tool for molecular imaging from spectra induced by a near-infrared laser. The captured image is at about 2 fs after the ionization, shorter than the period 4-6 fs by using the mid-infrared laser in Blaga’s experiment.

Resonant photoluminescence studies of carrier localisation in c-plane InGaN/GaN quantum well structures

NASA Astrophysics Data System (ADS)

Blenkhorn, W. E.; Schulz, S.; Tanner, D. S. P.; Oliver, R. A.; Kappers, M. J.; Humphreys, C. J.; Dawson, P.

2018-05-01

In this paper we report on changes in the form of the low temperature (12 K) photoluminescence spectra of an InGaN/GaN quantum well structure as a function of excitation photon energy. As the photon energy is progressively reduced we observe at a critical energy a change in the form of the spectra from one which is determined by the occupation of the complete distribution of hole localisation centres to one which is determined by the resonant excitation of specific localisation sites. This change is governed by an effective mobility edge whereby the photo-excited holes remain localised at their initial energy and are prevented from scattering to other localisation sites. This assignment is confirmed by the results of atomistic tight binding calculations which show that the wave function overlap of the lowest lying localised holes with other hole states is low compared with the overlap of higher lying hole states with other higher lying hole states.

Magnetic interactions and magnetic anisotropy in exchange coupled 4f-3d systems: a case study of a heterodinuclear Ce3+-Fe3+ cyanide-bridged complex.

PubMed

Sorace, Lorenzo; Sangregorio, Claudio; Figuerola, Albert; Benelli, Cristiano; Gatteschi, Dante

2009-01-01

We report here a detailed single-crystal EPR and magnetic study of a homologous series of complexes of the type Ln-M (Ln = La(III), Ce(III); M = Fe(III), Co(III)). We were able to obtain a detailed picture of the low-lying levels of Ce(III) and Fe(III) centres through the combined use of single-crystal EPR and magnetic susceptibility data. We show that classical ligand field theory can be of great help in rationalising the energies of the low-lying levels of both the transition-metal and rare-earth ions. The combined analysis of single-crystal EPR and magnetic data of the coupled system Ce-Fe confirmed the great complexity of the interactions involving rare-earth elements. With little uncertainty, it turned out clearly that the description of the interaction involving the lowest lying spin levels requires the introduction of the isotropic, anisotropic and antisymmetric terms.

Entanglement spectrum as a generalization of entanglement entropy: identification of topological order in non-Abelian fractional quantum Hall effect states.

PubMed

Li, Hui; Haldane, F D M

2008-07-04

We study the "entanglement spectrum" (a presentation of the Schmidt decomposition analogous to a set of "energy levels") of a many-body state, and compare the Moore-Read model wave function for the nu=5/2 fractional quantum Hall state with a generic 5/2 state obtained by finite-size diagonalization of the second-Landau-level-projected Coulomb interactions. Their spectra share a common "gapless" structure, related to conformal field theory. In the model state, these are the only levels, while in the "generic" case, they are separated from the rest of the spectrum by a clear "entanglement gap", which appears to remain finite in the thermodynamic limit. We propose that the low-lying entanglement spectrum can be used as a "fingerprint" to identify topological order.

Structured approaches to large-scale systems: Variational integrators for interconnected Lagrange-Dirac systems and structured model reduction on Lie groups

NASA Astrophysics Data System (ADS)

Parks, Helen Frances

This dissertation presents two projects related to the structured integration of large-scale mechanical systems. Structured integration uses the considerable differential geometric structure inherent in mechanical motion to inform the design of numerical integration schemes. This process improves the qualitative properties of simulations and becomes especially valuable as a measure of accuracy over long time simulations in which traditional Gronwall accuracy estimates lose their meaning. Often, structured integration schemes replicate continuous symmetries and their associated conservation laws at the discrete level. Such is the case for variational integrators, which discretely replicate the process of deriving equations of motion from variational principles. This results in the conservation of momenta associated to symmetries in the discrete system and conservation of a symplectic form when applicable. In the case of Lagrange-Dirac systems, variational integrators preserve a discrete analogue of the Dirac structure preserved in the continuous flow. In the first project of this thesis, we extend Dirac variational integrators to accommodate interconnected systems. We hope this work will find use in the fields of control, where a controlled system can be thought of as a "plant" system joined to its controller, and in the approach of very large systems, where modular modeling may prove easier than monolithically modeling the entire system. The second project of the thesis considers a different approach to large systems. Given a detailed model of the full system, can we reduce it to a more computationally efficient model without losing essential geometric structures in the system? Asked without the reference to structure, this is the essential question of the field of model reduction. The answer there has been a resounding yes, with Principal Orthogonal Decomposition (POD) with snapshots rising as one of the most successful methods. Our project builds on previous work to extend POD to structured settings. In particular, we consider systems evolving on Lie groups and make use of canonical coordinates in the reduction process. We see considerable improvement in the accuracy of the reduced model over the usual structure-agnostic POD approach.

Linear systems with structure group and their feedback invariants

NASA Technical Reports Server (NTRS)

Martin, C.; Hermann, R.

1977-01-01

A general method described by Hermann and Martin (1976) for the study of the feedback invariants of linear systems is considered. It is shown that this method, which makes use of ideas of topology and algebraic geometry, is very useful in the investigation of feedback problems for which the classical methods are not suitable. The transfer function as a curve in the Grassmanian is examined. The general concepts studied in the context of specific systems and applications are organized in terms of the theory of Lie groups and algebraic geometry. Attention is given to linear systems which have a structure group, linear mechanical systems, and feedback invariants. The investigation shows that Lie group techniques are powerful and useful tools for analysis of the feedback structure of linear systems.

Structural and Dynamical Details of Biotin

NASA Astrophysics Data System (ADS)

Korter, Timothy; Dunmire, David; Romero, Danilo; Middleton, Chris; Jenkins, Tim; Hudson, Bruce; Hight Walker, Angela

2003-03-01

Biotin, one of the B vitamins, is a key cofactor of enzymes that transfer units of CO2. Chemically linked to a lysine residue via its carboxylic acid side chain, biotin exhibits incredible flexibility when performing its intraprotein transport role. Not only does Biotin play a critical role in gluconeogenesis, it also is commonly used throughout biotechnology research due to its strong binding affinity for attachment, tethering and labeling chemistries. Therefore, a detailed probe of the structure and dynamics of biotin is important both metabolically and to aid further research. Here, we used several vibrational techniques, THz, IR, Raman and Inelastic Neutron Scattering, to gain a comprehensive understanding of biotin's structure, flexibility and dynamics. Specifically our interests are in hydrogen bonding interactions, torsional vibrations, and conformational changes with varying environments, which frequently lie in the far-infrared region of the spectrum below 200 cm-1. Interpretation and comparison of our multi-technique data are guided by high-level ab initio calculations.

Hypersurface-deformation algebroids and effective spacetime models

NASA Astrophysics Data System (ADS)

Bojowald, Martin; Büyükçam, Umut; Brahma, Suddhasattwa; D'Ambrosio, Fabio

2016-11-01

In canonical gravity, covariance is implemented by brackets of hypersurface-deformation generators forming a Lie algebroid. Lie-algebroid morphisms, therefore, allow one to relate different versions of the brackets that correspond to the same spacetime structure. An application to examples of modified brackets found mainly in models of loop quantum gravity can, in some cases, map the spacetime structure back to the classical Riemannian form after a field redefinition. For one type of quantum corrections (holonomies), signature change appears to be a generic feature of effective spacetime, and it is shown here to be a new quantum spacetime phenomenon which cannot be mapped to an equivalent classical structure. In low-curvature regimes, our constructions not only prove the existence of classical spacetime structures assumed elsewhere in models of loop quantum cosmology, they also show the existence of additional quantum corrections that have not always been included.

First measurement of the 2.4 MeV and 2.9 MeV 6He three-cluster resonant states via the 3H(4He, pα)2n four-body reaction

NASA Astrophysics Data System (ADS)

Mandaglio, Giuseppe; Povoroznyk, Orest; Gorpinich, Olga K.; Jachmenjov, Olexiy O.; Anastasi, Antonio; Curciarello, Francesca; de Leo, Veronica; Mokhnach, Hanna V.; Ponkratenko, Oleg; Roznyuk, Yuri; Fazio, Giovanni; Giardina, Giorgio

2014-06-01

Two new low-lying 6He levels at excitation energies of about 2.4 MeV and 2.9 MeV were observed in the experimental investigation of the p-α coincidence spectra obtained by the 3H(4He, pα)2n four-body reaction at E4He beam energy of 27.2 MeV. The relevant E* peak energy and Γ energy width spectroscopic parameters for such 6He* excited states decaying into the α+n+n channel were obtained by analyzing the bidimensional (Ep, Eα) energy spectra. The present new result of two low-lying 6He* excited states above the 4He+2n threshold energy of 0.974 MeV is important for the investigation of the nuclear structure of neutron-rich light nuclei and also as a basic test for theoretical models in the study of the three-cluster resonance feature of 6He.

Theoretical studies of the electronic spectrum of tellurium monosulfide.

PubMed

Chattopadhyaya, Surya; Nath, Abhijit; Das, Kalyan Kumar

2013-08-01

Ab initio based multireference singles and doubles configuration interaction (MRDCI) study including spin-orbit coupling is carried out to explore the electronic structure and spectroscopic properties of tellurium monosulfide (TeS) molecule by employing relativistic effective core potentials (RECP) and suitable Gaussian basis sets of the constituent atoms. Potential energy curves correlating with the lowest and second dissociation limit are constructed and spectroscopic constants (T(e), r(e), and ω(e)) of several low-lying bound Λ-S electronic states up to 3.68 eV of energy are computed. The binding energies and electric dipole moments (μ(e)) of the ground and the low-lying excited Λ-S states are also computed. The effects of the spin-orbit coupling on the electronic spectrum of the species are studied in details and compared with the available data. The transition probabilities of some dipole-allowed and spin-forbidden transitions are computed and radiative lifetimes of some excited states at lowest vibrational level are estimated from the transition probability data. Copyright © 2013 Elsevier B.V. All rights reserved.

An {alpha}-cluster model for {sub {Lambda}}{sup 9}Be spectroscopy

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

Filikhin, I. N., E-mail: ifilikhin@nccu.edu; Suslov, V. M.; Vlahovic, B.

An {alpha}-cluster model is applied to study low-lying spectrum of the {sub {Lambda}}{sup 9}Be hypernucleus. The three-body {alpha}{alpha}{Lambda} problem is numerically solved by the Faddeev equations in configuration space using phenomenological pair potentials. We found a set of the potentials that reproduces experimental data for the ground state (1/2{sup +}) binding energy and excitation energy of the 5/2{sup +} and 3/2{sup +} states, simultaneously. This set includes the Ali-Bodmer potential of the version 'e' for {alpha}{alpha} and modified Tang-Herndon potential for {alpha}{Lambda} interactions. The spin-orbit {alpha}{Lambda} interaction is given by modified Scheerbaum potential. Low-lying energy levels are evaluated applying amore » variant of the analytical continuation method in the coupling constant. It is shown that the spectral properties of {sub {Lambda}}{sup 9}Be can be classified as an analog of {sup 9}Be spectrum with the exception of several 'genuine hypernuclear states'. This agrees qualitatively with previous studies. The results are compared with experimental data and new interpretation of the spectral structure is discussed.« less

The low-lying electronic states of pentacene and their roles in singlet fission.

PubMed

Zeng, Tao; Hoffmann, Roald; Ananth, Nandini

2014-04-16

We present a detailed study of pentacene monomer and dimer that serves to reconcile extant views of its singlet fission. We obtain the correct ordering of singlet excited-state energy levels in a pentacene molecule (E (S1) < E (D)) from multireference calculations with an appropriate active orbital space and dynamical correlation being incorporated. In order to understand the mechanism of singlet fission in pentacene, we use a well-developed diabatization scheme to characterize the six low-lying singlet states of a pentacene dimer that approximates the unit cell structure of crystalline pentacene. The local, single-excitonic diabats are not directly coupled with the important multiexcitonic state but rather mix through their mutual couplings with one of the charge-transfer configurations. We analyze the mixing of diabats as a function of monomer separation and pentacene rotation. By defining an oscillator strength measure of the coherent population of the multiexcitonic diabat, essential to singlet fission, we find this population can, in principle, be increased by small compression along a specific crystal direction.

Low-lying energy spectrum of the cerium dimer

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

Nikolaev, A. V.; Skobeltsyn Institute of Nuclear Physics, Moscow State University, Vorob'evy Gory 1/2, 119991, Moscow

2011-07-15

The electronic structure of Ce{sub 2} is studied in a valence bond model with two 4f electrons localized at two cerium sites. It is shown that the low-lying energy spectrum of the simplest cerium chemical bond is determined by peculiarities of the occupied 4f states. The model allows for an analytical solution, which is discussed along with the numerical analysis. The energy spectrum is a result of the interplay between the 4f valence bond exchange, the 4f Coulomb repulsion, and the spin-orbit coupling. The calculated ground state is the even {Omega}={Lambda}={Sigma}=0 level, the lowest excitations situated at {approx}30 K aremore » the odd {Omega}={Lambda}={Sigma}=0 state and the {sup 3}6{sub 5} doublet ({Omega}={+-}5,{Lambda}={+-}6,{Sigma}={+-}1). The calculated magnetic susceptibility displays different behavior at high and low temperatures. In the absence of the spin-orbit coupling the ground state is the {sup 3}{Sigma}{sub g}{sup -} triplet. The results are compared with other many-electron calculations and experimental data.« less

Energetics of drug-DNA interactions.

PubMed

Chaires, J B

1997-01-01

Understanding the thermodynamics of drug binding to DNA is of both practical and fundamental interest. The practical interest lies in the contribution that thermodynamics can make to the rational design process for the development of new DNA targeted drugs. Thermodynamics offer key insights into the molecular forces that drive complex formation that cannot be obtained by structural or computational studies alone. The fundamental interest in these interactions lies in what they can reveal about the general problems of parsing and predicting ligand binding free energies. For these problems, drug-DNA interactions offer several distinct advantages, among them being that the structures of many drug-DNA complexes are known at high resolution and that such structures reveal that in many cases the drug acts as a rigid body, with little conformational change upon binding. Complete thermodynamic profiles (delta G, delta H, delta S, delta Cp) for numerous drug-DNA interactions have been obtained, with the help of high-sensitivity microcalorimetry. The purpose of this article is to offer a perspective on the interpretation of these thermodynamics parameters, and in particular how they might be correlated with known structural features. Obligatory conformational changes in the DNA to accommodate intercalators and the loss of translational and rotational freedom upon complex formation both present unfavorable free energy barriers for binding. Such barriers must be overcome by favorable free energy contributions from the hydrophobic transfer of ligand from solution into the binding site, polyelectrolyte contributions from coupled ion release, and molecular interactions (hydrogen and ionic bonds, van der Waals interactions) that form within the binding site. Theoretical and semiempirical tools that allow estimates of these contributions to be made will be discussed, and their use in dissecting experimental data illustrated. This process, even at the current level of approximation, can shed considerable light on the drug-DNA binding process.

Electronic structure at transition metal phthalocyanine-transition metal oxide interfaces: Cobalt phthalocyanine on epitaxial MnO films

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

Glaser, Mathias; Peisert, Heiko, E-mail: heiko.peisert@uni-tuebingen.de; Adler, Hilmar

2015-03-14

The electronic structure of the interface between cobalt phthalocyanine (CoPc) and epitaxially grown manganese oxide (MnO) thin films is studied by means of photoemission (PES) and X-ray absorption spectroscopy (XAS). Our results reveal a flat-lying adsorption geometry of the molecules on the oxide surface which allows a maximal interaction between the π-system and the substrate. A charge transfer from MnO, in particular, to the central metal atom of CoPc is observed by both PES and XAS. The change of the shape of N-K XAS spectra at the interface points, however, to the involvement of the Pc macrocycle in the chargemore » transfer process. As a consequence of the charge transfer, energetic shifts of MnO related core levels were observed, which are discussed in terms of a Fermi level shift in the semiconducting MnO films due to interface charge redistribution.« less

The Sagatu Ridge dike swarm, Ethiopian rift margin. [tectonic evolution

NASA Technical Reports Server (NTRS)

Mohr, P. A.; Potter, E. C.

1976-01-01

A swarm of dikes forms the core of the Sagatu Ridge, a 70-km-long topographic feature elevated to more than 4000 m above sea level and 1500 m above the level of the Eastern (Somalian) plateau. The ridge trends NNE and lies about 50 km east of the northeasterly trending rift-valley margin. Intrusion of the dikes and buildup of the flood-lava pile, largely hawaiitic but with trachyte preponderant in the final stages, occurred during the late Pliocene-early Pleistocene and may have been contemporaneous with downwarping of the protorift trough to the west. The ensuing faulting that formed the present rift margin, however, bypassed the ridge. The peculiar situation and orientation of the Sagatu Ridge, and its temporary existence as a line of crustal extension and voluminous magmatism, are considered related to a powerful structural control by a major line of Precambrian crustal weakness, well exposed further south. Transverse rift structures of unknown type appear to have limited the development of the ridge to the north and south.

Testing Inflation with Large Scale Structure: Connecting Hopes with Reality

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

Alvarez, Marcello; Baldauf, T.; Bond, J. Richard

2014-12-15

The statistics of primordial curvature fluctuations are our window into the period of inflation, where these fluctuations were generated. To date, the cosmic microwave background has been the dominant source of information about these perturbations. Large-scale structure is, however, from where drastic improvements should originate. In this paper, we explain the theoretical motivations for pursuing such measurements and the challenges that lie ahead. In particular, we discuss and identify theoretical targets regarding the measurement of primordial non-Gaussianity. We argue that when quantified in terms of the local (equilateral) template amplitude fmore » $$loc\\atop{NL}$$ (f$$eq\\atop{NL}$$), natural target levels of sensitivity are Δf$$loc, eq\\atop{NL}$$ ≃ 1. We highlight that such levels are within reach of future surveys by measuring 2-, 3- and 4-point statistics of the galaxy spatial distribution. This paper summarizes a workshop held at CITA (University of Toronto) on October 23-24, 2014.« less

Adélie penguins and temperature changes in Antarctica: a long-term view.

PubMed

Millar, Craig D; Subramanian, Sankar; Heupink, Tim H; Swaminathan, Siva; Baroni, Carlo; Lambert, David M

2012-06-01

During the summer months, Adélie penguins represent the dominant biomass of terrestrial Antarctica. Literally millions of individuals nest in ice-free areas around the coast of the continent. Hence, these modern populations of Adélie penguins have often been championed as an ideal biological indicator of ecological and environmental changes that we currently face. In addition, Adélie penguins show an extraordinary record of sub-fossil remains, dating back to the late Pleistocene. At this time, temperatures were much lower than now. Hence, this species offers unique long-term information, at both the genomic and ecological levels, about how a species has responded to climate change over more than 40 000 years. © 2012 ISZS, Blackwell Publishing and IOZ/CAS.

Are individuals with higher psychopathic traits better learners at lying? Behavioural and neural evidence.

PubMed

Shao, R; Lee, T M C

2017-07-25

High psychopathy is characterized by untruthfulness and manipulativeness. However, existing evidence on higher propensity or capacity to lie among non-incarcerated high-psychopathic individuals is equivocal. Of particular importance, no research has investigated whether greater psychopathic tendency is associated with better 'trainability' of lying. An understanding of whether the neurobehavioral processes of lying are modifiable through practice offers significant theoretical and practical implications. By employing a longitudinal design involving university students with varying degrees of psychopathic traits, we successfully demonstrate that the performance speed of lying about face familiarity significantly improved following two sessions of practice, which occurred only among those with higher, but not lower, levels of psychopathic traits. Furthermore, this behavioural improvement associated with higher psychopathic tendency was predicted by a reduction in lying-related neural signals and by functional connectivity changes in the frontoparietal and cerebellum networks. Our findings provide novel and pivotal evidence suggesting that psychopathic traits are the key modulating factors of the plasticity of both behavioural and neural processes underpinning lying. These findings broadly support conceptualization of high-functioning individuals with higher psychopathic traits as having preserved, or arguably superior, functioning in neural networks implicated in cognitive executive processing, but deficiencies in affective neural processes, from a neuroplasticity perspective.

Development of sensitive holographic devices for physiological metal ion detection

NASA Astrophysics Data System (ADS)

Sabad-e.-Gul; Martin, Suzanne; Cassidy, John; Naydenova, Izabela

2017-08-01

The development of selective alkali metal ions sensors in particular is a subject of significant interest. In this respect, the level of blood electrolytes, particularly H+, Na+, K+ and Cl- , is widely used to monitor aberrant physiologies associated with pulmonary emphysema, acute and chronic renal failure, heart failure, diabetes. The sensors reported in this paper are created by holographic recording of surface relief structures in a self-processing photopolymer material. The structures are functionalized by ionophores dibenzo-18-crown-6 (DC) and tetraethyl 4-tert-butylcalix[4]arene (TBC) in plasticised polyvinyl chloride (PVC) matrix. Interrogation of these structures by light allows indirect measurements of chemical analytes' concentration in real time. We present results on the optimisation and testing of the holographic sensor. A self-processing acrylamide-based photopolymer was used to fabricate the required photonic structures. The performance of the sensors for detection of K+ and Na+ was investigated. It was observed that the functionalisation with DC provides a selective response of the devices to K+ over Na+ and TBC coated surface structures are selectively sensitive to Na+. The sensor responds to Na+ within the physiological ranges. Normal levels of Na+ and K+ in human serum lie within the ranges 135-148mM and 3.5-5.3 mM respectively.

Low-Lying Energy Isomers and Global Minima of Aqueous Nanoclusters: Structures and Spectroscopic Features of the Pentagonal Dodecahedron (H2O)20 and (H3O)+(H2O)20

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

Xantheas, Sotiris S.

We rely on a hierarchy of methods to identify the low-lying isomers for the pentagonal dodecahedron (H2O)20 and the H3O+(H2O)20 clusters. Initial screening of isomers was performed with classical potentials [TIP4P, TTM2-F, TTM2.1-F for (H2O)20 and ASP for H3O+(H2O)20] and the networks obtained with those potentials were subsequently reoptimized at the DFT (B3LYP) and MP2 levels of theory. For the pentagonal dodecahedron (H2O)20 it was found that DFT (B3LYP) and MP2 produced the same global minimum. However, this was not the case for the H3O+(H2O)20 cluster, for which MP2 produced a different network for the global minimum when compared tomore » DFT (B3LYP). All low-lying minima of H3O+(H2O)20 correspond to hydrogen bonding networks having 9 ''free'' OH bonds and the hydronium ion on the surface of the cluster. The fact that DFT (B3LYP) and MP2 produce different results and issues related to the use of a smaller basis set, explains the discrepancy between the current results and the structure previously suggested [Science 304, 1137 (2004)] for the global minimum of the H3O+(H2O)20 cluster. Additionally, the IR spectra of the MP2 global minimum are closer to the experimentally measured ones than the spectra of the previously suggested DFT global minimum. The latter exhibit additional bands in the most red-shifted region of the OH stretching vibrations (corresponding to the ''fingerprint'' of the underlying hydrogen bonding network), which are absent from both the experimental as well as the spectra of the new structure suggested for the global minimum of this cluster.« less

Joint Services Electronics Program.

DTIC Science & Technology

1981-09-30

devices and a structure in which an interrupted superconduc- tive film strip lies on a highly doped silicon surface. We have also developed a strong...Slusher, and H. Sturge, reported at 2nd Int’l Conf. on Submillimeter Waves and Their Applications, San Juan , P.R., December 1967. (12) T. DeGraauw, H... lies in the noncommutative property of matrix multiplication. However, we believe that techniques can be developed to deal with special classes of non

Envelope molecular-orbital theory of extended systems. I. Electronic states of organic quasilinear nanoheterostructures

NASA Astrophysics Data System (ADS)

Arce, J. C.; Perdomo-Ortiz, A.; Zambrano, M. L.; Mujica-Martínez, C.

2011-03-01

A conceptually appealing and computationally economical course-grained molecular-orbital (MO) theory for extended quasilinear molecular heterostructures is presented. The formalism, which is based on a straightforward adaptation, by including explicitly the vacuum, of the envelope-function approximation widely employed in solid-state physics leads to a mapping of the three-dimensional single-particle eigenvalue equations into simple one-dimensional hole and electron Schrödinger-like equations with piecewise-constant effective potentials and masses. The eigenfunctions of these equations are envelope MO's in which the short-wavelength oscillations present in the full MO's, associated with the atomistic details of the molecular potential, are smoothed out automatically. The approach is illustrated by calculating the envelope MO's of high-lying occupied and low-lying virtual π states in prototypical nanometric heterostructures constituted by oligomers of polyacetylene and polydiacetylene. Comparison with atomistic electronic-structure calculations reveals that the envelope-MO energies agree very well with the energies of the π MO's and that the envelope MO's describe precisely the long-wavelength variations of the π MO's. This envelope MO theory, which is generalizable to extended systems of any dimensionality, is seen to provide a useful tool for the qualitative interpretation and quantitative prediction of the single-particle quantum states in mesoscopic molecular structures and the design of nanometric molecular devices with tailored energy levels and wavefunctions.

Isolating the Λ(1405) in lattice QCD.

PubMed

Menadue, Benjamin J; Kamleh, Waseem; Leinweber, Derek B; Mahbub, M Selim

2012-03-16

The odd-parity ground state of the Λ baryon lies surprisingly low in mass. At 1405 MeV, it lies lower than the odd-parity ground-state nucleon, even though it has a valence strange quark. Using the PACS-CS (2+1)-flavor full-QCD ensembles, we employ a variational analysis using source and sink smearing to isolate this elusive state. For the first time we reproduce the correct level ordering with respect to nearby scattering thresholds. With a partially quenched strange quark to produce the appropriate kaon mass, we find a low-lying, odd-parity mass trend consistent with the experimental value.

Molecular design of photovoltaic materials for polymer solar cells: toward suitable electronic energy levels and broad absorption.

PubMed

Li, Yongfang

2012-05-15

Bulk heterojunction (BHJ) polymer solar cells (PSCs) sandwich a blend layer of conjugated polymer donor and fullerene derivative acceptor between a transparent ITO positive electrode and a low work function metal negative electrode. In comparison with traditional inorganic semiconductor solar cells, PSCs offer a simpler device structure, easier fabrication, lower cost, and lighter weight, and these structures can be fabricated into flexible devices. But currently the power conversion efficiency (PCE) of the PSCs is not sufficient for future commercialization. The polymer donors and fullerene derivative acceptors are the key photovoltaic materials that will need to be optimized for high-performance PSCs. In this Account, I discuss the basic requirements and scientific issues in the molecular design of high efficiency photovoltaic molecules. I also summarize recent progress in electronic energy level engineering and absorption spectral broadening of the donor and acceptor photovoltaic materials by my research group and others. For high-efficiency conjugated polymer donors, key requirements are a narrower energy bandgap (E(g)) and broad absorption, relatively lower-lying HOMO (the highest occupied molecular orbital) level, and higher hole mobility. There are three strategies to meet these requirements: D-A copolymerization for narrower E(g) and lower-lying HOMO, substitution with electron-withdrawing groups for lower-lying HOMO, and two-dimensional conjugation for broad absorption and higher hole mobility. Moreover, better main chain planarity and less side chain steric hindrance could strengthen π-π stacking and increase hole mobility. Furthermore, the molecular weight of the polymers also influences their photovoltaic performance. To produce high efficiency photovoltaic polymers, researchers should attempt to increase molecular weight while maintaining solubility. High-efficiency D-A copolymers have been obtained by using benzodithiophene (BDT), dithienosilole (DTS), or indacenodithiophene (IDT) donor unit and benzothiadiazole (BT), thienopyrrole-dione (TPD), or thiazolothiazole (TTz) acceptor units. The BDT unit with two thienyl conjugated side chains is a highly promising unit in constructing high-efficiency copolymer donor materials. The electron-withdrawing groups of ester, ketone, fluorine, or sulfonyl can effectively tune the HOMO energy levels downward. To improve the performance of fullerene derivative acceptors, researchers will need to strengthen absorption in the visible spectrum, upshift the LUMO (the lowest unoccupied molecular orbital) energy level, and increase the electron mobility. [6,6]-Phenyl-C(71)-butyric acid methyl ester (PC(70)BM) is superior to [6,6]-phenyl-C(61)-butyric acid methyl ester (PCBM) because C(70) absorbs visible light more efficiently. Indene-C(60) bisadduct (ICBA) and Indene-C(70) bisadduct (IC(70)BA) show 0.17 and 0.19 eV higher LUMO energy levels, respectively, than PCBM, due to the electron-rich character of indene and the effect of bisadduct. ICBA and IC(70)BA are excellent acceptors for the P3HT-based PSCs.

Characterization of the X~ 2A1, A~ 2B1, and X~ 2Π electronic states of the Ga2H molecule and the X~ 2A' and A~ 2A'' isomerization transition states connecting the three minima

NASA Astrophysics Data System (ADS)

Wang, Hongyan; Wang, Suyun; Yan, Ge; Yamaguchi, Yukio; Schaefer, Henry F.

2006-01-01

A wide range of highly correlated ab initio methods has been used to predict the geometrical parameters of the linear (X˜Π2) and H-bridged (X˜A12 and ÃB12) Ga2H isomers and two isomerization transition states (X˜A'2 and ÃA″2) connecting the three minima. Dipole moments and vibrational frequencies are also obtained. The global minimum X˜A12 ground state of the H-bridged GaHGa isomer is predicted to lie only 1.6 [1.9 with the zero-point vibrational energy (ZPVE) corrections] kcalmol-1 below the ÃB12 state. The X˜A12 state lies 5.4kcalmol-1 below the X˜Π2 ground state of the linear GaGaH isomer at the coupled-cluster with single, double, and perturbative triple excitations [CCSD(T)] level of theory with the augmented correlation-consistent polarized valence quadruple-zeta (aug-cc-pVQZ) basis set. The full triples coupled-cluster method is found to alter these CCSD(T) predictions by as much as 0.3kcalmol-1. The forward isomerization barriers from the linear ground state to the X˜A'2 and ÃA″2 transition states are determined to be 3.3 and 5.3kcalmol-1, respectively. The reverse isomerization barrier between the X˜A12 GaHGa structure and the X˜Π2 GaGaH structure is predicted to be 8.6 (8.2 with the ZPVE corrections) kcalmol-1 at the aug-cc-pVQZ CCSD(T) level of theory.

Observed Evolution of the Upper-level Thermal Structure in Tropical Cyclones

NASA Astrophysics Data System (ADS)

Rivoire, L.; Birner, T.; Knaff, J. A.

2016-12-01

Tropical cyclones (TCs) are associated with tropopause-level cooling above the well-known tropospheric warm core. While the investigation of tropopause-level structures started as early as 1951, there is no clear consensus on the mechanisms involved. In addition, the large-scale average vertical and radial structure of the tropopause-level cooling is yet to be examined. Tropopause-level cooling destabilizes the upper atmosphere to convection, which potentially allows existing convection to reach higher altitudes. This is of particular importance during the early stages of tropical cyclogenesis. Other important characteristics of the tropopause-level cooling include its amplitude, its position relative to that of the warm core, its radial extent, and its evolution during the lifetime of TCs. These potentially influence TC structure, surface pressure gradients and maximum winds, intensity evolution, and outflow entropy. We use the 322 hurricane-strength TCs from the best-track archive in 2007-2014, along with high vertical resolution temperature measurements from the Constellation Observing System for Meteorology, Ionosphere, and Climate (COSMIC). These measurements are composited about the Lifetime Maximum Intensity (LMI) to examine the evolution of the fine-scale upper-level thermal structure inside TCs. We find that the tropopause-cooling has an amplitude similar to that of the warm core. Relative to the far-field structure (the area average between 1300-1500 km radii), tropopause-level cooling is found to occur several days before the warm core is established. Cold anomalies extend up to 1000 km away from the storm center, and may take part in a large-scale poleward transport of cold, dry air in the UTLS. Lastly, cold air masses move away from the storm center (and warm core) after LMI, and their remains lie around the 400-700 km radius -essentially inward of the radius of maximum tangential anticyclonic winds in the outflow layer. We discuss these results in the light of the previously cited TC characteristics, and highlight the importance of an improved description of the upper-level thermal structure in TCs. We also discuss the likely mechanisms involved in TC-induced tropopause-level cooling.

Neural Correlates of Evaluations of Lying and Truth-Telling in Different Social Contexts

PubMed Central

Wu, Dingcheng; Loke, Ivy Chiu

2011-01-01

The present study examined the neural correlates of evaluations of both lying and truth-telling in different social contexts using fMRI methodology. The results demonstrated the differentiation between lying and truth-telling and between different types of lying in a network of brain regions. These regions included bilateral superior frontal gyrus (SFG), bilateral inferior parietal lobule (IPL), bilateral cuneus, right lingual gyrus (LG), right precuneus, and left postcentral gyrus (PoCG). Additionally, we found that activations in the right LG, the left IPL and the left PoCG were correlated with the off-line evaluations of truthful and untruthful communications about good and bad acts in different social contexts. These results suggest that the judgments of lying and truth-telling involving a third party might not be emotion-arousing but involve rational processing. This study is among the first to demonstrate that evaluations of truthful and untruthful communications in different social contexts can be differentiated in terms of brain BOLD (blood-oxygen-level dependent) activities. PMID:21382353

Trend-surface analysis of the structure of the Ste. Genevieve limestone in the Effingham, Illinois, area

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

Stevenson, D.

1970-01-01

Recent studies of oil accumulations in the Ste. Genevieve Limestone Formation in Illinois demonstrate the usefulness of fitting third-order trend surfaces to structural data and analyzing the residuals calculated by subtracting the trend surface from the structure surface. Known oil pools are located in areas having positive residual values. This type of investigation, supplemented by conventional structural and stratigraphic studies, was performed on a 9-township (approx. 324 sq miles) area in Effingham and Shelby counties, Illinois. The known oil pools in the oolite and sandstone lenses of the Ste. Genevieve Formation lie within positive residuals resulting from the difference betweenmore » a third-order trend surface and the structural surface on top of the Ste. Genevieve. A composite map outlining areas where present anticlinal noses, sandstone lenses, and positive residuals lie in close proximity to each other is included in this report to indicate places where future exploration for Ste. Genevieve oil would have the greatest chance for success.« less

Photoresponse of 60Ni below 10-MeV excitation energy: Evolution of dipole resonances in fp-shell nuclei near N=Z

NASA Astrophysics Data System (ADS)

Scheck, M.; Ponomarev, V. Yu.; Fritzsche, M.; Joubert, J.; Aumann, T.; Beller, J.; Isaak, J.; Kelley, J. H.; Kwan, E.; Pietralla, N.; Raut, R.; Romig, C.; Rusev, G.; Savran, D.; Schorrenberger, L.; Sonnabend, K.; Tonchev, A. P.; Tornow, W.; Weller, H. R.; Zilges, A.; Zweidinger, M.

2013-10-01

Background: Within the last decade, below the giant dipole resonance the existence of a concentration of additional electric dipole strength has been established. This accumulation of low-lying E1 strength is commonly referred to as pygmy dipole resonance (PDR).Purpose: The photoresponse of 60Ni has been investigated experimentally and theoretically to test the evolution of the PDR in a nucleus with only a small neutron excess. Furthermore, the isoscalar and isovector M1 resonances were investigated.Method: Spin-1 states were excited by exploiting the (γ,γ') nuclear resonance fluorescence technique with unpolarized continuous bremsstrahlung as well as with fully linearly polarized, quasimonochromatic, Compton-backscattered laser photons in the entrance channel of the reaction.Results: Up to 10 MeV a detailed picture of J=1 levels was obtained. For the preponderant number of the individual levels spin and parity were firmly assigned. Furthermore, branching ratios, transition widths, and reduced B(E1) or B(M1) excitation probability were calculated from the measured scattering cross sections. A comparison with theoretical results obtained within the quasiparticle phonon model allows an insight into the microscopic structure of the observed states.Conclusions: Below 10 MeV the directly observed E1 strength [∑B(E1)↑=(153.8±9.5) e2(fm)2] exhausts 0.5% of the Thomas-Reiche-Kuhn sum rule. This value increases to 0.8% of the sum rule [∑B(E1)↑=(250.9±31.1) e2(fm)2] when indirectly observed branches to lower-lying levels are considered. Two accumulations of M1 excited spin-1 states near 8 and 9 MeV excitation energy are identified as isoscalar and isovector M1 resonances dominated by proton and neutron f7/2→f5/2 spin-flip excitations. The B(M1)↑ strength of these structures accumulates to 3.94(27)μN2.

Probable Mid-Miocene Caldera in the Modoc Plateau, Northeast California

NASA Astrophysics Data System (ADS)

Bowens, T. E.; Grose, T. L.

2001-12-01

Regional geologic mapping within the Modoc Plateau has resulted in the discovery of a large volcanotectonic anomaly some 21-km in diameter approximately 50-km WSW of the city of Alturas in Modoc County, California. Centrally located within this anomaly lies a structural depression some 11-km in diameter which, based on structural, lithologic, and geophysical characteristics, is believed to represent a deeply eroded mid-Miocene caldera. The region extending outward some 5-km from the proposed caldera displays a sharp, localized structural deflection from a NNW to a WNW structural grain. Lying inboard of this deflection, a series of regionally discordant E-W to NE trending, generally down to the north, normal faults were discovered which are believed to represent rim faults to an ancient caldera. Bedding within the hanging wall of these discordant structures displays highly contorted and regionally anomalous dips. By stereographic removal of the regional northeast dip overprinting the area, the anomalous dips were found to display a radial, steeply inward dipping pattern in close proximity to the proposed rim structures while dips located further inboard are generally flat-lying. Lithologies within the proposed caldera are regionally anomalous and include abundant tuffaceous and flow dominated breccias, closed basin organic sedimentary facies, and an anomalous concentration of volcanic centers of both mafic and felsic compositions. One of these intrusives was age dated at 12.9 Ma indicating the anomaly formed during mid-Miocene time. The location of the proposed caldera is associated with a +20 mgal gravity high, which stands in contrast to a lesser high of +10 mgal associated with the Medicine Lake Caldera some 50-km to the northwest. This combination of structural, lithologic, and geophysical evidence leads to the interpretation of a caldera at this location, herein termed the Stone Coal Valley Caldera.

Stocking density, milking duration, and lying times of lactating cows on Canadian freestall dairy farms.

PubMed

Charlton, G L; Haley, D B; Rushen, J; de Passillé, A M

2014-05-01

Lying time is an important measure of cow comfort, and the lying behavior of dairy cattle can now be recorded automatically with the use of accelerometers. To assess the effect that stall stocking density and the time that cows spend away from the home pen being milked has on the lying behavior of Holstein cattle, a total of 111 commercial freestall dairy farms were visited in Canada. Accelerometers were used to automatically record the lying behavior of 40 focal cows per farm. Total duration of lying, lying bout frequency, and the mean duration of lying bouts were calculated. Pen population was the total number of cows in the pen. To calculate stall stocking density (%) the number of cows in the pen and the number of useable stalls were counted and multiplied by 100, and the length × width of the pen was divided by the number of cows in the pen to calculate area/cow (m(2)). Time away from the pen per day was recorded from when the first cow in each pen was taken out of the home pen for milking until the last cow returned to the home pen after milking, and this time was multiplied by daily milking frequency. The median value for lying duration at the farm level was 10.6h/d, with 10.5 lying bouts/d, and a median lying bout duration of 1.2h. Stall stocking density ranged from 52.2 to 160.0%, with very few farms (7%) stocking at greater than 120%. Although stall stocking density was not significantly correlated with lying behavior, the results showed that no farm with stocking density greater that 100% achieved an average herd lying duration of 12h/d or higher, whereas 21.6% of farms with a stocking density of 100% or less did achieve the target lying time of ≥ 12 h/d, as recommended by the Canadian Code of Practice (χ(2)=4.86, degrees of freedom = 1). Area/cow (m(2)) was not correlated with any aspect of lying behavior, but regardless of space per cow, pen population was correlated with daily frequency and duration of lying bouts. As the number of cows in the pen increased, lying daily bout frequency increased (correlation coefficient = 0.24) and lying bout duration decreased (correlation coefficient = -0.30). Lying behavior was affected by the time the cows were away from the pen being milked. When cows were away from the pen for longer than 3.7h/d, no farm achieved the recommended herd median lying time of 12h/d or longer. These results suggest that providing 1 stall for each cow in the pen and minimizing time away from the pen are important factors if cattle are to achieve the recommended daily lying duration of 12h/d. Copyright © 2014 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Scattering of 42-MeV alpha particles from Cu-65

NASA Technical Reports Server (NTRS)

Stewart, W. M.; Seth, K. K.

1972-01-01

The extended particle-core coupling model was used to predict the properties of low-lying levels of Cu-65. A 42-MeV alpha particle cyclotron beam was used for the experiment. The experiment included magnetic analysis of the incident beam and particle detection by lithium-drifted silicon semiconductors. Angular distributions were measured for 10 to 50 degrees in the center of mass system. Data was reduced by fitting the peaks with a skewed Gaussian function using a least squares computer program with a linear background search. The energy calibration of each system was done by pulsar, and the excitation energies are accurate to + or - 25 keV. The simple weak coupling model cannot account for the experimentally observed quantities of the low-lying levels of Cu-65. The extended particle-core calculation showed that the coupling is not weak and that considerable configuration mixing of the low-lying states results.

Factors associated with low-lying intrauterine devices: a cross-sectional ultrasound study in a cohort of African-American women.

PubMed

Moshesh, Malana; Saldana, Tina; Deans, Elizabeth; Cooper, Tracy; Baird, Donna

2018-03-14

The object of this study is to examine factors and symptoms associated with low-lying IUDs as defined by ultrasound. This is a cross-sectional sub-study of participants in the Study of Environment, Life-style, and Fibroids (SELF). SELF participants had screening ultrasounds for fibroids at study enrollment; those with an IUD in place are included in this sub-study. Low-lying IUDs were identified and localized. Logistic regression was used to identify factors and symptoms associated with low-lying IUDs. Among 168 women with IUDs at ultrasound, 28 (17%) had a low-lying IUD. Having a low-lying IUD was associated with low education level (≤high school: aOR 3.1 95% CI 1.14-8.55) and with increased BMI (p=.002). Women with a low-lying IUD were more likely to report a "big problem" with dysmenorrhea (the highest option of the Likert scale) as compared to women with a normally-positioned IUD (OR 3.2 95% CI 1.07-9.54). Our study found that women with a low-lying IUD are more likely to be of lower education and higher BMI, and to report more dysmenorrhea. Women who are obese may benefit from additional counseling and closer follow-up after IUD placement. Future research is warranted to investigate IUD placement and possible IUD migration among women who are obese. Copyright © 2018 Elsevier Inc. All rights reserved.

Looking Beyond the Genes: The Interplay Between Signaling Pathways and Mechanics in the Shaping and Diversification of Epithelial Tissues.

PubMed

Urdy, S; Goudemand, N; Pantalacci, S

2016-01-01

The core of Evo-Devo lies in the intuition that the way tissues grow during embryonic development, the way they sustain their structure and function throughout lifetime, and the way they evolve are closely linked. Epithelial tissues are ubiquitous in metazoans, covering the gut and internal branched organs, as well as the skin and its derivatives (ie, teeth). Here, we discuss in vitro, in vivo, and in silico studies on epithelial tissues to illustrate the conserved, dynamical, and complex aspects of their development. We then explore the implications of the dynamical and nonlinear nature of development on the evolution of their size and shape at the phenotypic and genetic levels. In rare cases, when the interplay between signaling and mechanics is well understood at the cell level, it is becoming clear that the structure of development leads to covariation of characters, an integration which in turn provides some predictable structure to evolutionary changes. We suggest that such nonlinear systems are prone to genetic drift, cryptic genetic variation, and context-dependent mutational effects. We argue that experimental and theoretical studies at the cell level are critical to our understanding of the phenotypic and genetic evolution of epithelial tissues, including carcinomas. © 2016 Elsevier Inc. All rights reserved.

The Effect of Verbal and Visuo-Spatial Abilities on the Development of Knowledge of the Earth

ERIC Educational Resources Information Center

Kikas, Eve

2006-01-01

Difficulties in students' understanding of the spherical model of the Earth have been shown in previous studies. One of the reasons for these difficulties lies in beliefs and preliminary knowledge that hinder the interpretation of the scientific knowledge, the other reason may lie in the low level of verbal and visuo-spatial abilities. The study…

Fine structure transitions in Fe XIV

NASA Astrophysics Data System (ADS)

Nahar, Sultana N.

2013-07-01

Results are reported for Fe XIV energy levels and transitions obtained from the ab initio relativistic Breit-Pauli R-matrix (BPRM) method. BPRM method developed under the Iron Project is capable of calculating very large number of fine structure energy levels and corresponding transitions. However, unlike in the atomic structure calculations, where levels are identified spectroscopically based on the leading percentage contributions of configurations, BPRM is incapable of such identification of the levels and hence the transitions. The main reason for it is that the percentage contributions can not be determined exactly from the large number of channels in the R-matrix space. The present report describes an identification method that uses considerations of quantum defects of channels, contributions of channel from outer regions, Hund's rule, and angular momenta algebra for addition and completeness of fine structure components. The present calculations are carried out using a close coupling wave function expansion that included 26 core excitations from configurations 2s22p63s2, 2s22p63s3p,2s22p63p2,2s22p63s3d, and 2s22p63p3d. A total of 1002 fine structure levels with n ⩽ 10, l⩽9, and 0.5 ⩽J⩽ 9.5 with even and odd parities and the corresponding 130,520 electric dipole allowed (E1) fine structure transitions, a most complete set for astrophysical modelings of spectral analysis and opacities, is presented. Large number of new energy levels are found and identified. The energies agree very well, mostly in less than 1% with the highest being 1.9%, with the 68 observed fine structure levels. While the high lying levels may have some uncertainty, an overall accuracy of energy levels should be within 10%. BPRM transitions have been benchmarked with the existing most accurate calculated transition probabilities with very good agreement for most cases. Based on the accuracy of the method and comparisons, most of the transitions can be rated with A (⩽10%) to C (⩽30%).

Epitaxially Grown Films of Standing and Lying Pentacene Molecules on Cu(110) Surfaces

PubMed Central

2011-01-01

Here, it is shown that pentacene thin films (30 nm) with distinctively different crystallographic structures and molecular orientations can be grown under essentially identical growth conditions in UHV on clean Cu(110) surfaces. By X-ray diffraction, we show that the epitaxially oriented pentacene films crystallize either in the “thin film” phase with standing molecules or in the “single crystal” structure with molecules lying with their long axes parallel to the substrate. The morphology of the samples observed by atomic force microscopy shows an epitaxial alignment of pentacene crystallites, which corroborates the molecular orientation observed by X-ray diffraction pole figures. Low energy electron diffraction measurements reveal that these dissimilar growth behaviors are induced by subtle differences in the monolayer structures formed by slightly different preparation procedures. PMID:21479111

Analytic studies on satellite detection of severe, two-cell tornadoes

NASA Technical Reports Server (NTRS)

Carrier, G. F.; Dergarabedian, P.; Fendell, F. E.

1979-01-01

From funnel-cloud-length interpretation, the severe tornado is characterized by peak swirl speed relative to the axis of rotation of about 90 m/s. Thermohydrodynamic achievement of the pressure deficit from ambient necessary to sustain such swirls requires that a dry, compressionally heated, non-rotating downdraft of initially tropopause-level air lie within an annulus of rapidly swirling, originally low-level air ascending on a near-moist-adiabatic locus of thermodynamic states. The two-cell structure furnishes an observable parameter possibly accessible to a passively instrumented, geosynchronous meteorological satellite with mesoscale resolution, for early detection of a severe tornado. Accordingly, the low-level turnaround region, in which the surface inflow layer separates to become a free ascending layer and for which inviscid modeling suffices, is examined quantitatively. Preliminary results indicate that swirl overshoot, i.e., swirl speeds in the turnaround region in excess of the maximum achieved in the potential vortex, is modest.

Climate-driven Sympatry does not Lead to Foraging Competition Between Adélie and Gentoo Penguins

NASA Astrophysics Data System (ADS)

Cimino, M. A.; Moline, M. A.; Fraser, W.; Patterson-Fraser, D.; Oliver, M. J.

2016-02-01

Climate-driven sympatry may lead to competition for food resources between species, population shifts and changes in ecosystem structure. Rapid warming in the West Antarctic Peninsula (WAP) is coincident with increasing gentoo penguin and decreasing Adélie penguin populations, suggesting that competition for food may exacerbate the Adélie penguin decline. At Palmer Station, we tested for foraging competition between these species by comparing their prey, Antarctic krill, distributions and penguin foraging behaviors on fine scales. To study these predator-prey dynamics, we simultaneously deployed penguin satellite transmitters, and a REMUS autonomous underwater vehicle that acoustically detected krill aggregations and measured physical and biological properties of the water column. We detected krill aggregations within the horizontal and vertical foraging ranges of Adélie and gentoo penguin. In the upper 100 m of the water column, the distribution of krill aggregations were mainly associated with CHL and light, suggesting that krill selected for habitats that balance the need to consume food and avoid predation. Adélie and gentoo penguins mainly had spatially segregated foraging areas but in areas of overlap, gentoo penguins switched foraging behavior by foraging at deeper depths, a strategy which limits competition with Adélie penguins. This suggests that climate-driven sympatry does not necessarily result in competitive exclusion. Contrary to a recent theory, which suggests that increased competition for krill is the major driver of Adélie penguin population declines, we suggest that declines in Adélie penguins along the WAP are more likely due to direct and indirect climate impacts on their life histories.

Necessity of Grammar Teaching

ERIC Educational Resources Information Center

Zhang, Jianyun

2009-01-01

Grammar is often misunderstood in the language teaching field. The misconception lies in the view that grammar is a collection of arbitrary rules about static structures in the language. Further questionable claims are that the structures do not have to be thought, learners will acquire them on their own, or if the structures are taught, the…

Acoustic emission intrusion detector

DOEpatents

Carver, Donald W.; Whittaker, Jerry W.

1980-01-01

An intrusion detector is provided for detecting a forcible entry into a secured structure while minimizing false alarms. The detector uses a piezoelectric crystal transducer to sense acoustic emissions. The transducer output is amplified by a selectable gain amplifier to control the sensitivity. The rectified output of the amplifier is applied to a Schmitt trigger circuit having a preselected threshold level to provide amplitude discrimination. Timing circuitry is provided which is activated by successive pulses from the Schmitt trigger which lie within a selected time frame for frequency discrimination. Detected signals having proper amplitude and frequency trigger an alarm within the first complete cycle time of a detected acoustical disturbance signal.

First-principles study of Ti intercalation between graphene and Au surface

NASA Astrophysics Data System (ADS)

Kaneko, T.; Imamura, H.

2011-06-01

We investigate the effects of Ti intercalation between graphene and Au surface on binding energy and charge doping by using the first-principles calculations. We show that the largest binding energy is realized by the intercalation of single mono-layer of Ti. We also show that electronic structure is very sensitive to the arrangement of metal atoms at the interface. If the composition of the interface layer is Ti0.33Au0.67 and the Ti is located at the top site, the Fermi level lies closely at the Dirac point, i.e., the Dirac cone of the ideal free-standing graphene is recovered.

Speckle imaging of active galactic nuclei: NGC 1068 and NGC 4151

NASA Astrophysics Data System (ADS)

Ebstein, Steven Michael

High resolution images of NGC 1068 and NGC 4151 in the 5007 A line and the nearby continuum produced from data taken with the PAPA photon counting imaging detector using the technique of speckle imaging are presented. The images show an unresolved core of 5007 A emission in the middle of an extended emission region. The extended emission tends to lie alongside the subarcsecond radio structure. In NGC 4151, the extended emission comes from a nearly linear structure extending on both sides of the unresolved core. In NGC 1068, the extended emission is concentrated in lobes lying to the unresolved core but the emission is concentrated in lobes lying to either side of the major axis. The continuum of NGC 4151 is spatially unresolved. The continuum of NGC 1068 is extended approx. 1 in to the SW of the center of the 5007 A emission. Certain aspects of the PAPA detector are discussed, including the variable threshold discriminators that track the image intensifier pulse height and the camera artifacts. The data processing is described in detail.

Microscopic description of triaxiality in Ru isotopes with covariant energy density functional theory

NASA Astrophysics Data System (ADS)

Shi, Z.; Li, Z. P.

2018-03-01

Background: Triaxiality in nuclear low-lying states has attracted great interest for many years. Recently, reduced transition probabilities for levels near the ground state in 110Ru have been measured and provided strong evidence of a triaxial shape of this nucleus. Purpose: The aim of this work is to provide a microscopic study of low-lying states for Ru isotopes with A ≈100 and to examine in detail the role of triaxiality and the evolution of quadrupole shapes with the isospin and spin degrees of freedom. Method: Low-lying excitation spectra and transition probabilities of even-even Ru isotopes are described at the beyond-mean-field level by solving a five-dimensional collective Hamiltonian with parameters determined by constrained self-consistent mean-field calculations based on the relativistic energy density functional PC-PK1. Results: The calculated energy surfaces, low-energy spectra, and intraband and interband transition rates, as well as some characteristic collective observables, such as E (4g.s . +) /E (2g.s . +) ,E (2γ+) /E (4g.s . +) , and B (E 2 ;2g.s . +→0g.s . +) and γ -band staggerings, are in good agreement with the available experimental data. Conclusions: The main features of the experimental low-lying excitation spectra and electric transition rates are well reproduced and, thus, strongly support the onset of triaxiality in the low-lying excited states of Ru isotopes around 110Ru.

Gas exchange and intrapulmonary distribution of ventilation during continuous-flow ventilation

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

Vettermann, J.; Brusasco, V.; Rehder, K.

1988-05-01

In 12 anesthetized paralyzed dogs, pulmonary gas exchange and intrapulmonary inspired gas distribution were compared between continuous-flow ventilation (CFV) and conventional mechanical ventilation (CMV). Nine dogs were studied while they were lying supine, and three dogs were studied while they were lying prone. A single-lumen catheter for tracheal insufflation and a double-lumen catheter for bilateral endobronchial insufflation (inspired O2 fraction = 0.4; inspired minute ventilation = 1.7 +/- 0.3 (SD) 1.kg-1.min-1) were evaluated. Intrapulmonary gas distribution was assessed from regional 133Xe clearances. In dogs lying supine, CO2 elimination was more efficient with endobronchial insufflation than with tracheal insufflation, but themore » alveolar-arterial O2 partial pressure difference was larger during CFV than during CMV, regardless of the type of insufflation. By contrast, endobronchial insufflation maintained both arterial PCO2 and alveolar-arterial O2 partial pressure difference at significantly lower levels in dogs lying prone than in dogs lying supine. In dogs lying supine, the dependent lung was preferentially ventilated during CMV but not during CFV. In dogs lying prone, gas distribution was uniform with both modes of ventilation. The alveolar-arterial O2 partial pressure difference during CFV in dogs lying supine was negatively correlated with the reduced ventilation of the dependent lung, which suggests that increased ventilation-perfusion mismatching was responsible for the increase in alveolar-arterial O2 partial pressure difference. The more efficient oxygenation during CFV in dogs lying prone suggests a more efficient matching of ventilation to perfusion, presumably because the distribution of blood flow is also nearly uniform.« less

Associations of herd- and cow-level factors, cow lying behavior, and risk of elevated somatic cell count in free-stall housed lactating dairy cows.

PubMed

Watters, M E Alexandrea; Meijer, Karin M A; Barkema, Herman W; Leslie, Kenneth E; von Keyserlingk, Marina A G; Devries, Trevor J

2013-09-01

Recent evidence suggests that the risk of intramammary infection in dairy cows is related to lying patterns. The objectives of this study were to quantify the standing and lying behavior of dairy cows milked 3×/d, determine the cow- and herd-level factors associated with these behaviors, and relate these findings to the risk of an elevated somatic cell count (SCC). Five commercial free-stall dairy herds in Eastern Ontario, milking 3×/d, were enrolled in a longitudinal study. Forty Holstein-Friesian cows/herd were randomly selected as focal animals based on days in milk (<200 d) and SCC (<100,000 cells/mL). Farms were followed for 4, 5-week periods. Individual-cow SCC was recorded at the beginning of each period and end of the final period. Elevated SCC (eSCC) was used as an indicator of subclinical mastitis. A new incident eSCC was defined as an individual cow that started the period with a SCC <100,000 cells/mL but whose next SCC exceeded 200,000 cells/mL. Lying behavior was recorded 5d after each milk sampling using data loggers. For these 5d, individual milking times and feeding times were also recorded. On d1 of each recording period 2 trained observers scored focal cows for hygiene and lameness. Throughout the course of the study, cows averaged 11.2h/d of lying time, split into 8.6 lying bouts/d that were on average 84.6 min in length. Later lactation cows had longer daily lying times that were split into fewer lying bouts of longer duration than cows earlier in lactation. Lame cows had longer daily lying times and lying bout durations than non-lame cows. Cows with greater milk yield had lower lying times than lower producing cows. Average post-milking standing time across the study herds was 103 min. Manipulation of feed (feed delivery or push-up) by the stockperson, in the hour before milking or shortly thereafter, resulted in the longest post-milking standing times. Over the study period, 48 new eSCC were detected, resulting in a mean herd incidence rate of 0.91 eSCC/cow-year at risk for all study herds. A non-linear relationship between post-milking standing time and eSCC incidence was found; compared to those cows that lie down <90 min after milking, cows that lie down for the first time >90 min after milking had a lower risk of acquiring a new eSCC. The risk of experiencing an eSCC was also increased in multiparous cows, and in those cows with a higher SCC at the beginning of the study. These results indicate that management practices that promote post-milking standing time, such as the manipulation of feed delivery around milking times, should be encouraged to reduce the risk of cows experiencing new eSCC. Copyright © 2013 Elsevier B.V. All rights reserved.

Ab initio investigation of structure, stability, thermal behavior, bonding, and infrared spectra of ionized water cluster (H2O)6+

NASA Astrophysics Data System (ADS)

Liu, Lei; Hu, Cui-E.; Tang, Mei; Chen, Xiang-Rong; Cai, Ling-Cang

2016-10-01

The low-lying isomers of cationic water cluster (H2O)6+ have been globally explored by using particle swarm optimization algorithm in conjunction with quantum chemical calculations. Compared with previous results, our searching method covers a wide range of structural isomers of (H2O)6+ and therefore turns out to be more effective. With these local minima, geometry optimization and vibrational analysis are performed for the most interesting clusters at second-order Møller-Plesset (MP2)/aug-cc-pVDZ level, and their energies are further refined at MP2/aug-cc-pVTZ and coupled-cluster theory with single, double, and perturbative triple excitations/aug-cc-pVDZ level. The interaction energies using the complete basis set limits at MP2 level are also reported. The relationships between their structure arrangement and their energies are discussed. Based on the results of thermal simulation, structural change from a four-numbered ring to a tree-like structure occurs at T ≈ 45 K, and the relative population of six lowest-free-energy isomers is found to exceed 4% at some point within the studied temperature range. Studies reveal that, among these six isomers, two new-found isomers constitute 10% of isomer population at 180 K, and the experimental spectra can be better explained with inclusions of the two isomers. The molecular orbitals for six representative cationic water clusters are also studied. Through topological and reduced density gradient analysis, we investigated the structural characteristics and the bonding strengths of these water cluster radical cations.

Preferences of lame cows for type of surface and level of social contact in hospital pens.

PubMed

Jensen, M B; Herskin, M S; Thomsen, P T; Forkman, B; Houe, H

2015-07-01

To investigate preferences of lame cows for flooring and level of social contact, 37 lame, lactating dairy cows (diagnosed with sole ulcer or white line disease) were housed individually for 6 d in experimental hospital pens, where they could choose between 2 equally sized areas (6m × 4.5m) with either deep-bedded sand or a rubber surface. On both surfaces, cows could choose between 2 equally sized areas either near or away from heifers in a neighboring group pen. Cows spent more time lying on the deep-bedded sand than on the rubber surface (870 vs. 71min/d), whereas they spent less time upright (standing or walking) on the sand than on the rubber surface (180 vs. 319min/d). In addition, cows spent less time self-grooming on the sand than on the rubber surface (2.2 vs. 4.7% of time spent upright). With regard to level of social contact, cows spent more time near the neighboring heifers than away from them; this was true both while lying (565 vs. 374min/d) and upright (276 vs. 223min/d). Self-grooming was seen significantly more near neighboring heifers than away from them (4.8 vs. 3.3% of time spent upright). When lying, cows more often positioned themselves in areas of the pen where they could maintain visual contact with neighboring heifers. Lame cows with sole ulcers or white line disease preferred deep-bedded sand for lying, and preferred to perform self-grooming while on the rubber surface. Similarly, they preferred to lie and to perform self-grooming while positioned near animals in a neighboring pen. These results suggest that provision of a deep-bedded lying area in hospital pens is important to the welfare of lame cows. We found no evidence of isolation-seeking behavior in animals with these diagnoses (and no systemic symptoms) while they were kept in individual hospital pens. Copyright © 2015 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

The Permeability Transition Pore Controls Cardiac Mitochondrial Maturation and Myocyte Differentiation

PubMed Central

Hom, Jennifer R.; Quintanilla, Rodrigo A.; Hoffman, David L.; Karen L., de Mesy Bentley; Molkentin, Jeffery D.; Sheu, Shey-Shing; Porter, George A.

2011-01-01

SUMMARY Although mature myocytes rely on mitochondria as the primary source of energy, the role of mitochondria in the developing heart is not well known. Here, we find closure of the mitochondrial permeability transition pore (mPTP) drives maturation of mitochondrial structure and function and myocyte differentiation. Cardiomyocytes at embryonic day (E) 9.5, when compared to E13.5, displayed fragmented mitochondria with few cristae, a less polarized mitochondrial membrane potential, higher reactive oxygen species (ROS) levels, and an open mPTP. Pharmacologic and genetic closing of the mPTP yielded maturation of mitochondrial structure and function, lowered ROS, and increased myocyte differentiation (measured by counting Z-bands). Furthermore, myocyte differentiation was inhibited and enhanced with oxidant and antioxidant treatment, respectively, suggesting that redox signaling pathways lie downstream of mitochondria to regulate cardiac myocyte differentiation. PMID:21920313

Very highly excited vibrational states of LiCN using a discrete variable representation

NASA Astrophysics Data System (ADS)

Henderson, James R.; Tennyson, Jonathan

Calculations are presented for the lowest 900 vibrational (J = 0) states of the LiCN floppy system for a two dimensional potential energy surface (rCN frozen). Most of these states lie well above the barrier separating the two linear isomers of the molecule and the point where the classical dynamics of the system becomes chaotic. Analysis of the wavefunctions of individual states in the high energy region shows that while most have an irregular nodal structure, a significant number of states appear regular - corresponding to solutions of standard, 'mode localized' hamiltonians. Motions corresponding in zero-order to Li-CN and Li-NC normal modes as well as free rotor states are identified. The distribution of level spacings is also studied and yields results in good agreement with those obtained by analysing nodal structures.

Probabilistic #D data fusion for multiresolution surface generation

NASA Technical Reports Server (NTRS)

Manduchi, R.; Johnson, A. E.

2002-01-01

In this paper we present an algorithm for adaptive resolution integration of 3D data collected from multiple distributed sensors. The input to the algorithm is a set of 3D surface points and associated sensor models. Using a probabilistic rule, a surface probability function is generated that represents the probability that a particular volume of space contains the surface. The surface probability function is represented using an octree data structure; regions of space with samples of large conariance are stored at a coarser level than regions of space containing samples with smaller covariance. The algorithm outputs an adaptive resolution surface generated by connecting points that lie on the ridge of surface probability with triangles scaled to match the local discretization of space given by the algorithm, we present results from 3D data generated by scanning lidar and structure from motion.

Total angular momenta of high-lying odd levels of U I at ∼ 4 eV using resonance ionization laser polarization spectroscopy

NASA Astrophysics Data System (ADS)

Rath, Asawari D.; Kundu, S.; Ray, A. K.

2018-02-01

Laser induced photoionization of atoms shows significant dependence on the choice of polarizations of lasers. In multi-step, multi-photon excitation and subsequent ionization of atoms different polarization combinations of the exciting lasers lead to distinctly different ion yields. This fact is exploited in this work to determine total angular momenta of odd-parity energy levels of U I lying at ∼ 4 eV from its ground level using resonance ionization laser polarization spectroscopy in time of flight mass spectrometer. These levels are populated by two-step resonant excitation using two pulsed dye lasers with preset polarizations of choice followed by nonresonant ionization by third laser. The dependence of ionization yield on specific polarizations of the first two lasers is studied experimentally for each level under consideration. This dependence when compared to simulations makes possible unambiguous assignment of J angular momenta to these levels.

An ab initio study on the four electronically lowest-lying states of CH 2 using the state-averaged complete active space second-order configuration interaction method

NASA Astrophysics Data System (ADS)

Yamaguchi, Yukio; Schaefer, Henry F., III

1997-12-01

Four electronically lowest-lying ( X˜ 3B 1, ã 1A 1, b˜ 1B 1, and c˜ 1A 1) states of CH 2 have been investigated systematically using ab initio electronic structure theory. Complete active space (CAS) self-consistent-field (SCF) second-order configuration interaction (SOCI) and state-averaged (SA) CASSCF-SOCI levels of theory have been employed. The CASSCF reference wave function was constructed by minimizing the total energy of a specified state, while the SACASSCF reference wave function was obtained by minimizing the equally weighted total energy of the four ( X˜ 3B 1, ã 1A 1, b˜ 1B 1, and c˜ 1A 1) states. The third excited state ( c˜ 1A 1 or 2 1A 1) is of particular theoretical interest because it is represented by the second root of CASSCF and SOCI Hamiltonian matrices. Theoretical treatments of states not the lowest of their symmetry require special attention due to their tendency of variational collapse to the lower-lying state(s). For these four lowest-lying states total energies and physical properties including dipole moments, harmonic vibrational frequencies, and associated infrared (IR) intensities were determined and compared with the results from the configuration interaction with single and double excitations (CISD) method and available experimental values. The CASSCF-SOCI method should provide the most reliable energetics and physical properties in the present study owing to its fully variational nature in the molecular orbital (MO) and CI spaces for a given state. It is demonstrated that the SACASSCF-SOCI wave functions produce results which are quite consistent with those from the CASSCF-SOCI method. Thus significantly increased application of the SACASSCF-SOCI method to the excited states of a wide variety of molecular systems is expected.

The \

NASA Astrophysics Data System (ADS)

Stoilova, N. I.; Van der Jeugt, J.

2018-04-01

When the relative commutation relations between a set of m parafermions and n parabosons are of ‘relative parafermion type’, the underlying algebraic structure is the classical orthosymplectic Lie superalgebra (LSA) \

Structure of the Nucleon and its Excitations

NASA Astrophysics Data System (ADS)

Kamleh, Waseem; Leinweber, Derek; Liu, Zhan-wei; Stokes, Finn; Thomas, Anthony; Thomas, Samuel; Wu, Jia-jun

2018-03-01

The structure of the ground state nucleon and its finite-volume excitations are examined from three different perspectives. Using new techniques to extract the relativistic components of the nucleon wave function, the node structure of both the upper and lower components of the nucleon wave function are illustrated. A non-trivial role for gluonic components is manifest. In the second approach, the parity-expanded variational analysis (PEVA) technique is utilised to isolate states at finite momenta, enabling a novel examination of the electric and magnetic form factors of nucleon excitations. Here the magnetic form factors of low-lying odd-parity nucleons are particularly interesting. Finally, the structure of the nucleon spectrum is examined in a Hamiltonian effective field theory analysis incorporating recent lattice-QCD determinations of low-lying two-particle scattering-state energies in the finite volume. The Roper resonance of Nature is observed to originate from multi-particle coupled-channel interactions while the first radial excitation of the nucleon sits much higher at approximately 1.9 GeV.

IDEEA activity monitor: validity of activity recognition for lying, reclining, sitting and standing.

PubMed

Jiang, Yuyu; Larson, Janet L

2013-03-01

Recent evidence demonstrates the independent negative effects of sedentary behavior on health, but there are few objective measures of sedentary behavior. Most instruments measure physical activity and are not validated as measures of sedentary behavior. The purpose of this study was to evaluate the validity of the IDEEA system's measures of sedentary and low-intensity physical activities: lying, reclining, sitting and standing. Thirty subjects, 14 men and 16 women, aged 23 to 77 years, body mass index (BMI) between 18 to 34 kg/m(2), participated in the study. IDEEA measures were compared to direct observation for 27 activities: 10 lying in bed, 3 lying on a sofa, 1 reclining in a lawn chair, 10 sitting and 3 standing. Two measures are reported, the percentage of activities accurately identified and the percentage of monitored time that was accurately labeled by the IDEEA system for all subjects. A total of 91.6% of all observed activities were accurately identified and 92.4% of the total monitored time was accurately labeled. The IDEEA system did not accurately differentiate between lying and reclining so the two activities were combined for calculating accuracy. Using this approach the IDEEA system accurately identified 96% of sitting activities for a total of 97% of the monitored sitting time, 99% and 99% for standing, 87% and 88% for lying in bed, 87% and 88% for lying on the sofa, and 83% and 83% for reclining on a lawn chair. We conclude that the IDEEA system accurately recognizes sitting and standing positions, but it is less accurate in identifying lying and reclining positions. We recommend combining the lying and reclining activities to improve accuracy. The IDEEA system enables researchers to monitor lying, reclining, sitting and standing with a reasonable level of accuracy and has the potential to advance the science of sedentary behaviors and low-intensity physical activities.

Rich structure in the correlation matrix spectra in non-equilibrium steady states

NASA Astrophysics Data System (ADS)

Biswas, Soham; Leyvraz, Francois; Monroy Castillero, Paulino; Seligman, Thomas H.

2017-01-01

It has been shown that, if a model displays long-range (power-law) spatial correlations, its equal-time correlation matrix will also have a power law tail in the distribution of its high-lying eigenvalues. The purpose of this paper is to show that the converse is generally incorrect: a power-law tail in the high-lying eigenvalues of the correlation matrix may exist even in the absence of equal-time power law correlations in the initial model. We may therefore view the study of the eigenvalue distribution of the correlation matrix as a more powerful tool than the study of spatial Correlations, one which may in fact uncover structure, that would otherwise not be apparent. Specifically, we show that in the Totally Asymmetric Simple Exclusion Process, whereas there are no clearly visible correlations in the steady state, the eigenvalues of its correlation matrix exhibit a rich structure which we describe in detail.

Rich structure in the correlation matrix spectra in non-equilibrium steady states.

PubMed

Biswas, Soham; Leyvraz, Francois; Monroy Castillero, Paulino; Seligman, Thomas H

2017-01-17

It has been shown that, if a model displays long-range (power-law) spatial correlations, its equal-time correlation matrix will also have a power law tail in the distribution of its high-lying eigenvalues. The purpose of this paper is to show that the converse is generally incorrect: a power-law tail in the high-lying eigenvalues of the correlation matrix may exist even in the absence of equal-time power law correlations in the initial model. We may therefore view the study of the eigenvalue distribution of the correlation matrix as a more powerful tool than the study of spatial Correlations, one which may in fact uncover structure, that would otherwise not be apparent. Specifically, we show that in the Totally Asymmetric Simple Exclusion Process, whereas there are no clearly visible correlations in the steady state, the eigenvalues of its correlation matrix exhibit a rich structure which we describe in detail.

Conformal superalgebras via tractor calculus

NASA Astrophysics Data System (ADS)

Lischewski, Andree

2015-01-01

We use the manifestly conformally invariant description of a Lorentzian conformal structure in terms of a parabolic Cartan geometry in order to introduce a superalgebra structure on the space of twistor spinors and normal conformal vector fields formulated in purely algebraic terms on parallel sections in tractor bundles. Via a fixed metric in the conformal class, one reproduces a conformal superalgebra structure that has been considered in the literature before. The tractor approach, however, makes clear that the failure of this object to be a Lie superalgebra in certain cases is due to purely algebraic identities on the spinor module and to special properties of the conformal holonomy representation. Moreover, it naturally generalizes to higher signatures. This yields new formulas for constructing new twistor spinors and higher order normal conformal Killing forms out of existing ones, generalizing the well-known spinorial Lie derivative. Moreover, we derive restrictions on the possible dimension of the space of twistor spinors in any metric signature.

Research Article Abstracts in Two Subdisciplines of Business--Move Structure and Hedging between Management and Marketing

ERIC Educational Resources Information Center

Li, Qian; Pramoolsook, Issra

2015-01-01

The importance of RA abstracts lies in their influence on the readers' decision about whether the accompanying article is worth reading. A number of studies have investigated the move structure of abstracts and have generated several influential models. However, little research has been conducted on subdisciplinary variations in move structure of…

Low-lying excited states of model proteins: Performances of the CC2 method versus multireference methods

NASA Astrophysics Data System (ADS)

Ben Amor, Nadia; Hoyau, Sophie; Maynau, Daniel; Brenner, Valérie

2018-05-01

A benchmark set of relevant geometries of a model protein, the N-acetylphenylalanylamide, is presented to assess the validity of the approximate second-order coupled cluster (CC2) method in studying low-lying excited states of such bio-relevant systems. The studies comprise investigations of basis-set dependence as well as comparison with two multireference methods, the multistate complete active space 2nd order perturbation theory (MS-CASPT2) and the multireference difference dedicated configuration interaction (DDCI) methods. First of all, the applicability and the accuracy of the quasi-linear multireference difference dedicated configuration interaction method have been demonstrated on bio-relevant systems by comparison with the results obtained by the standard MS-CASPT2. Second, both the nature and excitation energy of the first low-lying excited state obtained at the CC2 level are very close to the Davidson corrected CAS+DDCI ones, the mean absolute deviation on the excitation energy being equal to 0.1 eV with a maximum of less than 0.2 eV. Finally, for the following low-lying excited states, if the nature is always well reproduced at the CC2 level, the differences on excitation energies become more important and can depend on the geometry.

Low-lying excited states of model proteins: Performances of the CC2 method versus multireference methods.

PubMed

Ben Amor, Nadia; Hoyau, Sophie; Maynau, Daniel; Brenner, Valérie

2018-05-14

A benchmark set of relevant geometries of a model protein, the N-acetylphenylalanylamide, is presented to assess the validity of the approximate second-order coupled cluster (CC2) method in studying low-lying excited states of such bio-relevant systems. The studies comprise investigations of basis-set dependence as well as comparison with two multireference methods, the multistate complete active space 2nd order perturbation theory (MS-CASPT2) and the multireference difference dedicated configuration interaction (DDCI) methods. First of all, the applicability and the accuracy of the quasi-linear multireference difference dedicated configuration interaction method have been demonstrated on bio-relevant systems by comparison with the results obtained by the standard MS-CASPT2. Second, both the nature and excitation energy of the first low-lying excited state obtained at the CC2 level are very close to the Davidson corrected CAS+DDCI ones, the mean absolute deviation on the excitation energy being equal to 0.1 eV with a maximum of less than 0.2 eV. Finally, for the following low-lying excited states, if the nature is always well reproduced at the CC2 level, the differences on excitation energies become more important and can depend on the geometry.

Graph theory and the Virasoro master equation

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

Obers, N.A.J.

1991-04-01

A brief history of affine Lie algebra, the Virasoro algebra and its culmination in the Virasoro master equations is given. By studying ansaetze of the master equation, we obtain exact solutions and gain insight in the structure of large slices of affine-Virasoro space. We find an isomorphism between the constructions in the ansatz SO(n){sub diag}, which is a set of unitary, generically irrational affine-Virasoro constructions on SO(n), and the unlabelled graphs, while, conversely, a group-theoretic and conformal field-theoretic identification is obtained for every graph of graph theory. We also define a class of magic'' Lie group bases in which themore » Virasoro master equation admits a simple metric ansatz (gmetric), whose structure is visible in the high-level expansion. When a magic basis is real on compact g, the corresponding g{sub metric} is a large system of unitary, generically irrational conformal field theories. Examples in this class include the graph-theory ansatz SO(n){sub diag} in the Cartesian basis of SO(n), and the ansatz SU(n){sub metric} in the Pauli-like basis of SU(n). Finally, we define the sine-area graphs'' of SU(n), which label the conformal field theories of SU(n){sub metric}, and we note that, in similar fashion, each magic basis of g defines a generalized graph theory on g which labels the conformal field theories of g{sub metric}. 24 figs., 4 tabs.« less

Public health programs as surrogates for social action in Suriname, South America.

PubMed

Peplow, Daniel; Augustine, Sarah

2015-01-01

This paper addresses the merits of public health activism that advocates for social change in which health is the outcome of interest. We acknowledge that while efforts at the individual level are important, social network models consider the underlying mechanisms that lie outside the public health sector. This paper considers the inequitable health of Indigenous people who bear a disproportionate share of the negative health consequences due to economic development programs that follow an assimilation model. This paper discusses a combination of theoretical constructs to understand and solve the problems at hand. It concludes that while the attention paid to technological and behavioral solutions at the individual level yields important health outcomes, attention should also be paid to structural causes that address social, political and economic barriers to prevent disease, disability and premature death. © The Author(s) 2014.

Littelmann path model for geometric crystals, Whittaker functions on Lie groups and Brownian motion

NASA Astrophysics Data System (ADS)

Chhaibi, Reda

2013-02-01

Generally speaking, this thesis focuses on the interplay between the representations of Lie groups and probability theory. It subdivides into essentially three parts. In a first rather algebraic part, we construct a path model for geometric crystals in the sense of Berenstein and Kazhdan, for complex semi-simple Lie groups. We will mainly describe the algebraic structure, its natural morphisms and parameterizations. The theory of total positivity will play a particularly important role. Then, we anticipate on the probabilistic part by exhibiting a canonical measure on geometric crystals. It uses as ingredients the superpotential for the flag manifold and a measure invariant under the crystal actions. The image measure under the weight map plays the role of Duistermaat-Heckman measure. Its Laplace transform defines Whittaker functions, providing an interesting formula for all Lie groups. Then it appears clearly that Whittaker functions are to geometric crystals, what characters are to combinatorial crystals. The Littlewood-Richardson rule is also exposed. Finally we present the probabilistic approach that allows to find the canonical measure. It is based on the fundamental idea that the Wiener measure will induce the adequate measure on the algebraic structures through the path model. In the last chapter, we show how our geometric model degenerates to the continuous classical Littelmann path model and thus recover known results. For example, the canonical measure on a geometric crystal of highest weight degenerates into a uniform measure on a polytope, and recovers the parameterizations of continuous crystals.

Lifetime Measurement of Nickel-58 Using RDM with GRETINA

NASA Astrophysics Data System (ADS)

Loelius, Charles

2014-09-01

The structure of nuclei near the doubly magic 56Ni has provided a sensitive probe of configuration mixing across the N=Z=28 shell gap. The shell model description of nuclei in this region is well established, with the gxpf1 interaction accurately reproducing the energy levels and transition strengths of Nuclei in the vicinity of 56Ni. However, there remain open questions as to the effects of higher lying orbitals beyond the pf shell. These can be addressed by a study of the B(E2)'s of nuclei in near the shell gap, particularly the B(E2;4+ -->2+) where effects of high l orbitals may be enhanced. 58Ni provides a strong candidate for study, as the only previous B(E2;4+ -->2+) measurement using the Doppler Shift Attenuation Method resulted in a B(E2) three times larger than that predicted by theory. In order to determine the possible effects of higher lying orbitals, a second measurement of the lifetime of 58Ni was undertaken at the National Superconducting Cyclotron Laboratory using the the Gamma-Ray Energy Tracking in Beam Nuclear Array (GRETINA) and the Recoil Distance Method (RDM). Preliminary results of this measurement will be presented.

Surface vibrational modes in disk-shaped resonators.

PubMed

Dmitriev, A V; Gritsenko, D S; Mitrofanov, V P

2014-03-01

The natural frequencies and distributions of displacement components for the surface vibrational modes in thin isotropic elastic disks are calculated. In particular, the research is focused on even solutions for low-lying resonant vibrations with large angular wave numbers. Several families of modes are found which are interpreted as modified surface modes of an infinitely long cylinder and Lamb modes of a plate. The results of calculation are compared with the results of the experimental measurements of vibrational modes generated by means of resonant excitation in duraluminum disk with radius of ≈90 mm and thickness of 16 mm in the frequency range of 130-200 kHz. An excellent agreement between the calculated and measured frequencies is found. Measurements of the structure of the resonant peaks show splitting of some modes. About a half of the measured modes has splitting Δfsplit/fmode at the level of the order of 10(-5). The Q-factors of all modes measured in vacuum lie in the interval (2…3)×10(5). This value is typical for duraluminum mechanical resonators in the ultrasonic frequency range. Copyright © 2013 Elsevier B.V. All rights reserved.

Exact results for the star lattice chiral spin liquid

NASA Astrophysics Data System (ADS)

Kells, G.; Mehta, D.; Slingerland, J. K.; Vala, J.

2010-03-01

We examine the star lattice Kitaev model whose ground state is a chiral spin liquid. We fermionize the model such that the fermionic vacua are toric-code states on an effective Kagome lattice. This implies that the Abelian phase of the system is inherited from the fermionic vacua and that time-reversal symmetry is spontaneously broken at the level of the vacuum. In terms of these fermions we derive the Bloch-matrix Hamiltonians for the vortex-free sector and its time-reversed counterpart and illuminate the relationships between the sectors. The phase diagram for the model is shown to be a sphere in the space of coupling parameters around the triangles of the lattices. The Abelian phase lies inside the sphere and the critical boundary between topologically distinct Abelian and non-Abelian phases lies on the surface. Outside the sphere the system is generically gapped except in the planes where the coupling parameters between the vertices on triangles are zero. These cases correspond to bipartite lattice structures and the dispersion relations are similar to that of the original Kitaev honeycomb model. In a further analysis we demonstrate the threefold non-Abelian ground-state degeneracy on a torus by explicit calculation.

Geologic Map of the Poverty Bay 7.5' quadrangle, King and Pierce counties, Washington

USGS Publications Warehouse

Booth, Derek B.; Waldron, H.H.; Troost, K.G.

2004-01-01

The Poverty Bay quadrangle lies near the center of the region?s intensively developing urban core. Less than 20 km north lies the city of Seattle; downtown Tacoma lies just southwest of the quadrangle. The map area expresses much of the tremendous range of Quaternary environments and deposits found throughout the central Puget Lowland. Much of the ground surface is mantled by a rolling surface of glacial till deposited during the last occupation of the Puget Lowland by a great continental ice sheet about 14,000 years ago. A complex sequence of older unconsolidated sediments extends far below sea level across most of the quadrangle, with no bedrock exposures at all.

Spatial genetic structure of bristle-thighed curlews (Numenius tahitiensis): breeding area differentiation not reflected on the non-breeding grounds

USGS Publications Warehouse

Sonsthagen, Sarah A.; Tibbitts, T. Lee; Gill, Robert E.; Williams, Ian S.; Talbot, Sandra L.

2015-01-01

Migratory birds occupy geographically and ecologically disparate areas during their annual cycle with conditions on breeding and non-breeding grounds playing separate and important roles in population dynamics. We used data from nuclear microsatellite and mitochondrial DNA control region loci to assess the breeding and non-breeding spatial genetic structure of a transoceanic migrant shorebird, the bristle-thighed curlew. We found spatial variance in the distribution of allelic and haplotypic frequencies between the curlew's two breeding areas in Alaska but did not observe this spatial structure throughout its non-breeding range on low-lying tropical and subtropical islands in the Central Pacific (Oceania). This suggests that the two breeding populations do not spatially segregate during the non-breeding season. Lack of migratory connectivity is likely attributable to the species' behavior, as bristle-thighed curlews exhibit differential timing of migration and some individuals move among islands during non-breeding months. Given the detrimental impact of many past and current human activities on island ecosystems, admixture of breeding populations in Oceania may render the bristle-thighed curlew less vulnerable to perturbations there, as neither breeding population will be disproportionally affected by local habitat losses or by stochastic events. Furthermore, lack of migratory connectivity may enable bristle-thighed curlews to respond to changing island ecosystems by altering their non-breeding distribution. However, availability of suitable non-breeding habitat for curlews in Oceania is increasingly limited on both low-lying and high islands by habitat loss, sea level rise, and invasive mammalian predators that pose a threat to flightless and flight-compromised curlews during the molting period.

Mars Structural and Stratigraphic Mapping along the Coprates Rise

NASA Technical Reports Server (NTRS)

Saunders, R Stephen

2009-01-01

This geologic mapping project supports a topical study of structures in east Thaumasia associated with the Coprates rise. The study examines cuesta-like features on the east flank of the Coprates rise first identified by Saunders et al. [1]. Mapping combines detailed local stratigraphy, structural geology and topography. Hogbacks and cuestas indicate erosion of tilted rock units. The extent of the erosion will be determined in the course of the mapping. The region of interest lies along the eastern margin of Thaumasia bounded by latitudes -15 and -35 and longitudes 50 to 70 W (Figure 1). Three MTM geologic quadrangles are being compiled for publication by the USGS (-20057, -25057, -30057). All existing data sources are used including THEMIS, MOC, CTX, HiRISE, MOLA and gravity, as well as higher level data available through the PDS data nodes at ASU, UA and Washington University. The extremely valuable ASU JMARS tools are used for analysis of many of the data sets. ArcGIS software has been obtained and is being learned for the map compilation.

Hierarchically Patterned Noncovalent Functionalization of 2D Materials by Controlled Langmuir-Schaefer Conversion.

PubMed

Davis, Tyson C; Bang, Jae Jin; Brooks, Jacob T; McMillan, David G; Claridge, Shelley A

2018-01-30

Noncovalent monolayer chemistries are often used to functionalize 2D materials. Nanoscopic ligand ordering has been widely demonstrated (e.g., lying-down lamellar phases of functional alkanes); however, combining this control with micro- and macroscopic patterning for practical applications remains a significant challenge. A few reports have demonstrated that standing phase Langmuir films on water can be converted into nanoscopic lying-down molecular domains on 2D substrates (e.g., graphite), using horizontal dipping (Langmuir-Schaefer, LS, transfer). Molecular patterns are known to form at scales up to millimeters in Langmuir films, suggesting the possibility of transforming such structures into functional patterns on 2D materials. However, to our knowledge, this approach has not been investigated, and the rules governing LS conversion are not well understood. In part, this is because the conversion process is mechanistically very different from classic LS transfer of standing phases; challenges also arise due to the need to characterize structure in noncovalently adsorbed ligand layers <0.5 nm thick, at scales ranging from millimeters to nanometers. Here, we show that scanning electron microscopy enables diynoic acid lying-down phases to be imaged across this range of scales; using this structural information, we establish conditions for LS conversion to create hierarchical microscopic and nanoscopic functional patterns. Such control opens the door to tailoring noncovalent surface chemistry of 2D materials to pattern local interactions with the environment.

INFORMATION-THEORETIC INEQUALITIES ON UNIMODULAR LIE GROUPS

PubMed Central

Chirikjian, Gregory S.

2010-01-01

Classical inequalities used in information theory such as those of de Bruijn, Fisher, Cramér, Rao, and Kullback carry over in a natural way from Euclidean space to unimodular Lie groups. These are groups that possess an integration measure that is simultaneously invariant under left and right shifts. All commutative groups are unimodular. And even in noncommutative cases unimodular Lie groups share many of the useful features of Euclidean space. The rotation and Euclidean motion groups, which are perhaps the most relevant Lie groups to problems in geometric mechanics, are unimodular, as are the unitary groups that play important roles in quantum computing. The extension of core information theoretic inequalities defined in the setting of Euclidean space to this broad class of Lie groups is potentially relevant to a number of problems relating to information gathering in mobile robotics, satellite attitude control, tomographic image reconstruction, biomolecular structure determination, and quantum information theory. In this paper, several definitions are extended from the Euclidean setting to that of Lie groups (including entropy and the Fisher information matrix), and inequalities analogous to those in classical information theory are derived and stated in the form of fifteen small theorems. In all such inequalities, addition of random variables is replaced with the group product, and the appropriate generalization of convolution of probability densities is employed. An example from the field of robotics demonstrates how several of these results can be applied to quantify the amount of information gained by pooling different sensory inputs. PMID:21113416

Search for global-minimum geometries of medium-sized germanium clusters. II. Motif-based low-lying clusters Ge21-Ge29

NASA Astrophysics Data System (ADS)

Yoo, S.; Zeng, X. C.

2006-05-01

We performed a constrained search for the geometries of low-lying neutral germanium clusters GeN in the size range of 21⩽N⩽29. The basin-hopping global optimization method is employed for the search. The potential-energy surface is computed based on the plane-wave pseudopotential density functional theory. A new series of low-lying clusters is found on the basis of several generic structural motifs identified previously for silicon clusters [S. Yoo and X. C. Zeng, J. Chem. Phys. 124, 054304 (2006)] as well as for smaller-sized germanium clusters [S. Bulusu et al., J. Chem. Phys. 122, 164305 (2005)]. Among the generic motifs examined, we found that two motifs stand out in producing most low-lying clusters, namely, the six/nine motif, a puckered-hexagonal-ring Ge6 unit attached to a tricapped trigonal prism Ge9, and the six/ten motif, a puckered-hexagonal-ring Ge6 unit attached to a bicapped antiprism Ge10. The low-lying clusters obtained are all prolate in shape and their energies are appreciably lower than the near-spherical low-energy clusters. This result is consistent with the ion-mobility measurement in that medium-sized germanium clusters detected are all prolate in shape until the size N ˜65.

An SCF and MCSCF description of the low-lying states of MgO. [Configuration State Functions Multiconfiguration Self Consistent Field

NASA Technical Reports Server (NTRS)

Bauschlicher, C. W., Jr.; Silver, D. M.; Yarkony, D. R.

1980-01-01

The paper presents the multiconfiguration-self-consistent (MCSCF) and configuration state functions (CSF) for the low-lying electronic states of MgO. It was shown that simple description of these states was possible provided the 1 Sigma(+) states are individually optimized at the MCSCF level, noting that the 1(3 Sigma)(+) and 2(1 Sigma)(+) states which nominally result from the same electron occupation are separated energetically. The molecular orbitals obtained at this level of approximation should provide a useful starting point for extended configuration interaction calculations since they have been optimized for the particular states of interest.

Electronic structure investigation of neutral titanium oxide molecules TixOy

NASA Astrophysics Data System (ADS)

Jeong, K. S.; Chang, Ch; Sedlmayr, E.; Sülzle, D.

2000-09-01

Electronic and structural properties of energetically low-lying isomers of isolated TixOy (x = 1-6, y = 1-12) molecular systems have been investigated by density functional theoretical methods. A variety of stationary points are thoroughly characterized. We report total cluster energies, equilibrium geometries and harmonic vibrational wavenumbers.

Event Structure and Grammatical Patterns: Resultative Constructions

ERIC Educational Resources Information Center

Lee, Leslie

2013-01-01

This thesis investigates the nature of grammatical patterns through an in-depth study of resultative constructions in Mandarin and Thai. At the heart of the thesis lies the proposal that event structure templates--complex, meaning-based grammatical patterns--must be recognised as primary objects of linguistic analysis. As content-theoretic objects…

Impulse Response Operators for Structural Complexes

DTIC Science & Technology

1990-05-12

systems of the complex. The statistical energy analysis (SEA) is one such a device [ 13, 14]. The rendering of SEA from equation (21) and/or (25) lies...Propagation.] 13. L. Cremer, M. Heckl, and E.E. Ungar 1973 Structure-Borne Sound (Springer Verlag). 14. R. H. Lyon 1975 Statistical Energy Analysis of

Propeller aircraft interior noise model: User's manual for computer program

NASA Technical Reports Server (NTRS)

Wilby, E. G.; Pope, L. D.

1985-01-01

A computer program entitled PAIN (Propeller Aircraft Interior Noise) has been developed to permit calculation of the sound levels in the cabin of a propeller-driven airplane. The fuselage is modeled as a cylinder with a structurally integral floor, the cabin sidewall and floor being stiffened by ring frames, stringers and floor beams of arbitrary configurations. The cabin interior is covered with acoustic treatment and trim. The propeller noise consists of a series of tones at harmonics of the blade passage frequency. Input data required by the program include the mechanical and acoustical properties of the fuselage structure and sidewall trim. Also, the precise propeller noise signature must be defined on a grid that lies in the fuselage skin. The propeller data are generated with a propeller noise prediction program such as the NASA Langley ANOPP program. The program PAIN permits the calculation of the space-average interior sound levels for the first ten harmonics of a propeller rotating alongside the fuselage. User instructions for PAIN are given in the report. Development of the analytical model is presented in NASA CR 3813.

Revealing the structural nature of the Cd isotopes

NASA Astrophysics Data System (ADS)

Garrett, P. E.; Diaz Varela, A.; Green, K. L.; Jamieson, D. S.; Jigmeddorj, B.; Wood, J. L.; Yates, S. W.

2015-10-01

The even-even Cd isotopes have provided fertile ground for the investigation of collectivity in nuclei. Soon after the development of the Bohr model, the stable Cd isotopes were identified as nearly harmonic vibrators based on their excitation energy patterns. The measurements of enhanced B (E 2) values appeared to support this interpretation. Shape co-existing rotational-like intruder bands were discovered, and mixing between the configurations was invoked to explain the deviation of the decay pattern of multiphonon vibrational states. Very recently, a detailed analysis of the low-lying levels of 110Cd combining results of the (n ,n' γ) reaction and high-statistics β decay, provided strong evidence that the mixing between configurations is weak, except for the ground-state band and ``Kπ =0+ '' intruder band. The analysis of the levels in 110Cd has now been extended to 3 MeV, and combined with data for 112Cd and previous Coulomb excitation data for 114Cd, enables a detailed map of the E 2 collectivity in these nuclei, demanding a complete re-interpretation of the structure of the stable Cd isotopes.

A Combined Structural Geology and GIS Approach to Rockslides: an Example from Western Norway

NASA Astrophysics Data System (ADS)

Henderson, I.; Derron, M. H.; Jaboyedoff, M.

2004-12-01

The western coast of Norway presents an ideal area to study active rockslide development due to the recent post-glacial uplift. This study presents the preliminary results of a combined GIS-structural geology approach to the examination of a potentially catastrophic rockslide in the Romsdalen area of western Norway, a mountainous area, despite being well populated, that is particularly vulnerable to rockslides. Svarttinden is a 1600m high mountain lying on a 12-1300m plateau 1km from the southern edge of the Romsdalen Valley. Recent landslide activity from the mountain side under investigation is evinced by the presence of a debris fan, which has been previously dated at c.5000BP. The rockslide removed in the region of 5 millions m3 of rock material. The purpose of this study was to determine the cause of the previous slide and evaluate the likelihood of further rockslides from the same mountainside by applying GIS and structural geology. Preliminary investigations have shown that the mountain is dissected by a north-south trending, steeply-dipping brittle fault. This has acted as a transfer fault, delimiting the western extent of the palaeo-rockslide. The palaeo-rockslide failed along a single, flat-lying (30-35°) down-slop dipping brittle fault. Remnants of a fault breccia up to 20cm are found on this surface. Evidence exists for shearing on this structure and we consider this a major fault plane (MFP), along which the rockslide has occurred. SEM examination of the microstructures present in this fault gouge will be presented. The western half of this mountain, which lies to the east of the major north-south transfer fault, is underlain by the same low-angle fault gouge. The volume of the rock mass above this MFP is approximately 7 millions m3. Several other low-angle structures are present above the MFP, further weakening the rockmass. Up to several metres of down-slope displacement is observed on these structures. High angle tension fractures are abundant in the mountainside above the MFP, detaching down onto it. These structures increase in frequency and displacement downslope. The low-angle fault planes lie sub-parallel to a local, shallowly north-dipping foliation in the gneissic host-rocks and appear to be localized along fold discontinuities within the gneisses. These folds appear to have acted as a significant 'locking mechanism' for movement along the failure planes as evidence is seen for fault tip-zones buttressing against the high angle southern limbs of these folds and reverse high angle fault structures in the fold axial planes, representing local vertical extension as opposed to downslope shearing. Local ramp structures in the MFP led to the increased frequency of high-angle tension fractures. This suggests that the geometry of the MFP is probably a significant factor in changing the degree of fracturing of the potential rockslide rockmass and therefore may have an affect on the continuity of the rockmass prior to failure. To estimate the volume above the MFP a potential sliding surface was inferred in 3D from field observations and the concept of "sloping local base level" (SLBL). Using a digital terrain model, the SLBL permits to define a surface above which the rocks are assumed erodible (Jaboyedoff 2004). Then the spatial distribution of the shear stress on the sliding plane and the energy of propagation of blocks can be estimated and introduced in a GIS for hazards assessment and zoning. References Jaboyedoff, M., Baillifard, F., Couture, R., Locat, J., and Locat, P. 2004: Toward preliminary hazard assessment using DEM topographic analysis and simple mechanic modeling.

Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity

NASA Astrophysics Data System (ADS)

Peng, Feng; Sun, Ying; Pickard, Chris J.; Needs, Richard J.; Wu, Qiang; Ma, Yanming

2017-09-01

Room-temperature superconductivity has been a long-held dream and an area of intensive research. Recent experimental findings of superconductivity at 200 K in highly compressed hydrogen (H) sulfides have demonstrated the potential for achieving room-temperature superconductivity in compressed H-rich materials. We report first-principles structure searches for stable H-rich clathrate structures in rare earth hydrides at high pressures. The peculiarity of these structures lies in the emergence of unusual H cages with stoichiometries H24 , H29 , and H32 , in which H atoms are weakly covalently bonded to one another, with rare earth atoms occupying the centers of the cages. We have found that high-temperature superconductivity is closely associated with H clathrate structures, with large H-derived electronic densities of states at the Fermi level and strong electron-phonon coupling related to the stretching and rocking motions of H atoms within the cages. Strikingly, a yttrium (Y) H32 clathrate structure of stoichiometry YH10 is predicted to be a potential room-temperature superconductor with an estimated Tc of up to 303 K at 400 GPa, as derived by direct solution of the Eliashberg equation.

Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity.

PubMed

Peng, Feng; Sun, Ying; Pickard, Chris J; Needs, Richard J; Wu, Qiang; Ma, Yanming

2017-09-08

Room-temperature superconductivity has been a long-held dream and an area of intensive research. Recent experimental findings of superconductivity at 200 K in highly compressed hydrogen (H) sulfides have demonstrated the potential for achieving room-temperature superconductivity in compressed H-rich materials. We report first-principles structure searches for stable H-rich clathrate structures in rare earth hydrides at high pressures. The peculiarity of these structures lies in the emergence of unusual H cages with stoichiometries H_{24}, H_{29}, and H_{32}, in which H atoms are weakly covalently bonded to one another, with rare earth atoms occupying the centers of the cages. We have found that high-temperature superconductivity is closely associated with H clathrate structures, with large H-derived electronic densities of states at the Fermi level and strong electron-phonon coupling related to the stretching and rocking motions of H atoms within the cages. Strikingly, a yttrium (Y) H_{32} clathrate structure of stoichiometry YH_{10} is predicted to be a potential room-temperature superconductor with an estimated T_{c} of up to 303 K at 400 GPa, as derived by direct solution of the Eliashberg equation.

Structural features of small benzene clusters (C6H6)n (n ≤ 30) as investigated with the all-atom OPLS potential.

PubMed

Takeuchi, Hiroshi

2012-10-18

The structures of the simplest aromatic clusters, benzene clusters (C(6)H(6))(n), are not well elucidated. In the present study, benzene clusters (C(6)H(6))(n) (n ≤ 30) were investigated with the all-atom optimized parameters for liquid simulation (OPLS) potential. The global minima and low-lying minima of the benzene clusters were searched with the heuristic method combined with geometrical perturbations. The structural features and growth sequence of the clusters were examined by carrying out local structure analyses and structural similarity evaluation with rotational constants. Because of the anisotropic interaction between the benzene molecules, the local structures consisting of 13 molecules are considerably deviated from regular icosahedron, and the geometries of some of the clusters are inconsistent with the shapes constructed by the interior molecules. The distribution of the angle between the lines normal to two neighboring benzene rings is anisotropic in the clusters, whereas that in the liquid benzene is nearly isotropic. The geometries and energies of the low-lying configurations and the saddle points between them suggest that most of the configurations previously detected in supersonic expansions take different orientations for one to four neighboring molecules.

Deceit and dishonesty as practice: the comfort of lying.

PubMed

Carter, Melody

2016-07-01

Lying and deceit are instruments of power, used by social actors in the pursuit of their practices as they seek to maintain social order. All social actors, nurses included, have deceit and dishonesty within their repertoire of practice. Much of this is benign, well intentioned and a function of being sociable and necessary in the pursuit of social order in the healthcare environment. Lying and deceit from a sociological point of view, is a reflection of the different modes of domination that exist within a social space. French philosopher Pierre Bourdieu theorized about the way that symbolic power works within social space. The social structures and the agency of individual actors moving within it are interrelated and interdependent. Bourdieu's ideas will be used to theorize about real clinical experiences where acts of deceit can be identified and a case example will be presented. Nurses are actors in the social space of clinical care, and their world is complex, challenging, and often fraught with the contradictory demands and choices that reflect and influence their behaviours. An exploration of lying and deceit in nursing as an instrument in the modes of domination that persist enables us to challenge some of the assumptions that are made about the motives that cause or tempt nurses to lie as well as to understand the way on which they are sometimes lied to, according to the acts of domination that exist in the field. Lying or acting dishonestly is a powerful act that is intent on retaining stability and social order and could be seen to be a justification of lying and deceit. However, we need to pause and consider, in whose interests are we striving to create social order? Is it in the end about the comfort of patients or for the comfort of professionals? © 2016 John Wiley & Sons Ltd.

Shallow Depth Study Using Gravity & Magnetics Data in Central Java - Yogyakarta

NASA Astrophysics Data System (ADS)

Fawzy Ismullah M, Muhammad; Altin Massinai, Muhammad; Maria

2018-03-01

Gravity and magnetics measurements carried out in Karangsambung - Bayat - Wonosari track, Central Java - Yogyakarta region as much as 34 points for subsurface identification. Modeling and interpretation using both data at 3 sections. Section A lies on Karangsambung area and reach to 1900 m. Section A showed formation of 0.000001 - 0.0014 nT and 2.00 - 2.80 g/cm3 like alluvium, basalt and tuff. Section B lies on Wates - Yogyakarta area and reach to 1700 m. Section B showed formation of (-0.01) - 0.02 nT and 2.40 - 3.00 g/cm3 like andesite intrusive and Merapi volcano sediments. Section C lies on Bayat - Wonosari area and reach to 2000 m. Section C showed formation of 0.00016 - 0.0005 nT and 2.30 - 3.14 g/cm3 like limestone, tuff and diorite intrusive. Based on modeling results from 2D structure inversion method can identify the formation of sediments from volcano activity on Karangsambung - Bayat - Wonosari track, Central Java - Yogyakarta region. The method of this study shows potential application for identify the formation of volcano activity from 2D structure.

The density matrix method in photonic bandgap and antiferromagnetic materials

NASA Astrophysics Data System (ADS)

Barrie, Scott B.

In this thesis, a theory for dispersive polaritonic bandgap (DPBG) and photonic bandgap (PBG) materials is developed. An ensemble of multi-level nanoparticles, such as non-interacting two-, three- and four-level atoms doped in DPBG and PBG materials is considered. The optical properties of these materials such as spontaneous emission, line broadening, fluorescence and narrowing of the natural linewidth have been studied using the density matrix method. Numerical simulations for these properties have been performed for the DPBG materials SiC and InAs, and for a PBG material with a 20 percent gap-to-midgap ratio. When a three-level nanoparticle is doped into a DPBG material, it is predicted that one or two bound states exist when one or both resonance energies, respectively, lie in the bandgap. It is shown when a resonance energy lies below the bandgap, its spectral density peak weakens and broadens as the resonance energy increases to the lower band edge. For the first time it is predicted that when a nanoparticle's resonance energy lies above the bandgap, its spectral density peak weakens and broadens as the resonance energy increases. A relation is also found between spectral structure and gap-to-midgap ratios. The dressed states of a two-level atom doped into a DPBG material under the influence of an intense monochromatic laser field are examined. The splitting of the dressed state energies is calculated, and it is predicted that the splitting depends on the polariton density of states and the Rabi frequency of laser field. The fluoresence is also examined, and for the first time two distinct control processes are found for the transition from one peak to three peaks. It was previously known that the Rabi frequency controlled the Stark effect, but this thesis predicts that the local of the peak with respect to the optical bandgap can cause a transition from one to three peaks even with a weak Rabi frequency. The transient linewidth narrowing of PBG crystal emission peaks doped with four-level atoms is studied. It is found that linewidth narrowing is only dependent upon time delay when the resonance energy is not near a band edge. This is a new discovery. The density matrix method is employed to find the critical magnetic field at which spin flopping occurs in antiferromagnetic high temperature superconductors. It is found that this magnetic field depends upon the temperature, the anisotropy parameter and the doping concentration. Results are calculated for 1-2-3 HTSCs. Keywords. Quantum Optics, Density Matrix, Photonic Bandgap Materials, Dispersive Polaritonic Bandgap Materials, Antiferromagnets.

Achieving Highly Efficient Nonfullerene Organic Solar Cells with Improved Intermolecular Interaction and Open-Circuit Voltage

DOE PAGES

Yao, Huifeng; Ye, Long; Hou, Junxian; ...

2017-03-29

Here, a new acceptor–donor–acceptor-structured nonfullerene acceptor ITCC (3,9-bis(4-(1,1-dicyanomethylene)-3-methylene-2-oxo-cyclopenta[b]thiophen)-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3- d':2,3- d'] -s-indaceno[1,2- b:5,6- b']-dithiophene) is designed and synthesized via simple end-group modification. ITCC shows improved electron-transport properties and a high-lying lowest unoccupied molecular orbital level. A power conversion efficiency of 11.4% with an impressive V OC of over 1 V is recorded in photovoltaic devices, suggesting that ITCC has great potential for applications in tandem organic solar cells.

The modern mental health system in Nepal: organizational persistence in the absence of legitimating myths.

PubMed

Tausig, M; Subedi, S

1997-08-01

This paper advances an organizational explanation for the slow pace of modernization of mental health care systems in developing societies. In complement to cultural and political economic explanations of this condition, we suggest that the value of establishing modern systems in developing societies lies in the legitimation such structures provide for indigenous modernizing efforts vis-a-vis both indigenous and external audiences. The system need not meet actual levels of service demand. Its importance is in its symbolic value as an indicator of modernity. The result is a system in "permanent failure". Implications for institutional theory and the growth of modern mental health systems in developing societies are discussed.

Energy consumption program: A computer model simulating energy loads in buildings

NASA Technical Reports Server (NTRS)

Stoller, F. W.; Lansing, F. L.; Chai, V. W.; Higgins, S.

1978-01-01

The JPL energy consumption computer program developed as a useful tool in the on-going building modification studies in the DSN energy conservation project is described. The program simulates building heating and cooling loads and computes thermal and electric energy consumption and cost. The accuracy of computations are not sacrificed, however, since the results lie within + or - 10 percent margin compared to those read from energy meters. The program is carefully structured to reduce both user's time and running cost by asking minimum information from the user and reducing many internal time-consuming computational loops. Many unique features were added to handle two-level electronics control rooms not found in any other program.

Crystal Quality, the Long and the Short of It

NASA Technical Reports Server (NTRS)

Snell, Eddie H.

2004-01-01

The term "crystal quality" is ambiguous and implies different meanings to different crystallographers. For the physical crystallographer who aims to understand long-range aspects of crystal growth mosaicity is one of the leading measures of perfection. For the structural crystallographer and those seeking to understand growth at a short-range, molecular level, the detail in the resulting structure is a key goal. Different quality measures have been developed due to different needs. Each of the measures has advantages and each has limitations. In this talk a sample of these measures will be discussed with particular emphasis applied to their application in the analysis of microgravity grown crystals. The advantages and limitations of each will be discussed. Ultimately, the choice of crystal quality measurement lies in the nature of the question asked. It is scfill to remember that beauty is often in the eye of the beholder.

Thermal structure of the Venus atmosphere in the middle cloud layer

NASA Technical Reports Server (NTRS)

Linkin, V. M.; Seiff, A.; Ragent, B.; Young, R. E.; Elson, L. S.; Preston, A.

1986-01-01

Thermal structure measurements obtained by the two VEGA balloons show the Venus middle cloud layer to be generally adiabatic. Temperatures measured by the two balloons at locations roughly symmetric about the equator differed by about 6.5 kelvins at a given pressure. The VEGA-2 temperatures were about 2.5 kelvins cooler and those of VEGA-1 about 4 kelvins warmer than temperatures measured by the Pioneer Venus Large Probe at these levels. Data taken by the VEGA-2 lander as it passed through the middle cloud agreed with those of the VEGA-2 balloon. Study of individual frames of the balloon data suggests the presence of multiple discrete air masses that are internally adiabatic but lie on slightly different adiabats. These adiabats, for a given balloon, can differ in temperature by as much as 1 kelvin at a given pressure.

Tectono-magmatic relationships along an obliquely convergent plate boundary: Sumatra, Indonesia.

NASA Astrophysics Data System (ADS)

Acocella, Valerio; Bellier, Olivier

2017-04-01

The tectono-magmatic relationships along divergent and orthogonally convergent plate boundaries have been defined in several aspects. However, much less is known along obliquely convergent plate boundaries, where the strain partitioning promotes strike-slip structures along the volcanic arc. Here it is unclear if and, in case, how strike-slip structures may control arc volcanism, in terms of processes, distribution and size. To better define these features, we review the available tectonic, structural and volcanological data on Sumatra (Indonesia), which provides the ideal case study. The Sumatra volcanic arc consists of 48 major active volcanoes. Of these, 46% lie within 10 km from the dextral Great Sumatra Fault (GSF), which carries most of the strike-slip displacement on the overriding plate, whereas 27% of the volcanoes lie at >20 km from the GSF. Considering the volcanoes lying within 10 km from GSF, 76% show some possible structural relation to the GSF, whereas only 28% (7 volcanoes) show a clear structural relation to the GSF, being located in pull-apart or releasing bends between dextral segments. However, these localized areas of extension do not seem to promote the development of magmatic segments, similarly to orthogonally convergent plate boundaries. Many volcanoes lie to the west of the GSF, largely following the shallower portions of the slab, which reaches its average partial melting depth (130±30 km) more westward. There is a preferred volcano alignment and elongation along the N30-N40°E trend, almost parallel to the convergence vector; this trend coincides with the direction of the extensional structures found along the arc. Other volcanoes are elongated parallel to the GSF, possibly resulting from the co- and post-seismic across-arc extension, as observed during the 2004 mega-earthquake. Finally, there is no relationship between the slip rate along GSF and the erupted volumes along the arc: the highest productivity of Toba caldera may be explained by a slab tear. Overall, these data highlight a limited control of the geometry and kinematics of the GSF on the arc volcanism of Sumatra. This control is mostly confined to the: a) suitable depth for partial melting of the slab; b) structural configuration of the GSF, promoting localized extension. Otherwise, magma may rise far from the GSF, where the direction of the feeder dikes may be controlled by the inter-seismic extension (perpendicular to the convergence vector) or by the arc normal co- and post-seismic extension.

Spectroscopic and computational studies of matrix-isolated iso-CHBr{sub 3}: Structure, properties, and photochemistry of iso-bromoform

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

George, Lisa; Kalume, Aimable; Wagner, James

Iso-polyhalomethanes are known reactive intermediates that play a pivotal role in the photochemistry of halomethanes in condensed phases. In this work, iso-bromoform (iso-CHBr{sub 3}) and its deuterated isotopomer were characterized by matrix isolation infrared and UV/visible spectroscopy, supported by ab initio and density functional theory calculations, to further probe the structure, spectroscopy, and photochemistry of this important intermediate. Selected wavelength laser irradiation of CHBr{sub 3} isolated in Ar or Ne matrices at {approx}5 K yielded iso-CHBr{sub 3}; the observed infrared and UV/visible absorptions are in excellent agreement with computational predictions, and the energies of various stationary points on the CHBr{submore » 3} potential energy surface were characterized computationally using high-level methods in combination with correlation consistent basis sets. These calculations show that, while the corresponding minima lie {approx}200 kJ/mol above the global CHBr{sub 3} minimum, the isomer is bound by some 60 kJ/mol in the gas phase with respect to the CHBr{sub 2}+ Br asymptote. The photochemistry of iso-CHBr{sub 3} was investigated by selected wavelength laser irradiation into the intense S{sub 0}{yields} S{sub 3} transition, which resulted in back photoisomerization to CHBr{sub 3}. Intrinsic reaction coordinate calculations confirmed the existence of a first-order saddle point connecting the two isomers, which lies energetically below the threshold of the radical channel. Subsequently, natural bond orbital analysis and natural resonance theory were used to characterize the important resonance structures of the isomer and related stationary points, which demonstrate that the isomerization transition state represents a crossover from dominantly covalent to dominantly ionic bonding. In condensed phases, the ion-pair dominated isomerization transition state structure is preferentially stabilized, so that the barrier to isomerization is lowered.« less

Freestall maintenance: effects on lying behavior of dairy cattle.

PubMed

Drissler, M; Gaworski, M; Tucker, C B; Weary, D M

2005-07-01

In a series of 3 experiments, we documented how sand-bedding depth and distribution changed within freestalls after new bedding was added and the effect of these changes on lying behavior. In experiment 1, we measured changes in bedding depth over a 10-d period at 43 points in 24 freestalls. Change in depth of sand was the greatest the day after new sand was added and decreased over time. Over time, the stall surface became concave, and the deepest part of the stall was at the center. Based on the results of experiment 1, we measured changes in lying behavior when groups of cows had access to freestalls with sand bedding that was 0, 3.5, 5.2, or 6.2 cm at the deepest point, below the curb, while other dimensions remained fixed. We found that daily lying time was 1.15 h shorter in stalls with the lowest levels of bedding compared with stalls filled with bedding. Indeed, for every 1-cm decrease in bedding, cows spent 11 min less time lying down during each 24-h period. In a third experiment, we imposed 4 treatments that reflected the variation in sand depth within stalls: 0, 6.2, 9.9, and 13.7 cm below the curb. Again, lying times reduced with decreasing bedding, such that cows using the stalls with the least amount of bedding (13.7 cm below curb) spent 2.33 h less time per day lying down than when housed with access to freestalls filled with sand (0 cm below curb).

LETTER TO THE EDITOR: Landau levels on the hyperbolic plane

NASA Astrophysics Data System (ADS)

Fakhri, H.; Shariati, M.

2004-11-01

The quantum states of a spinless charged particle on a hyperbolic plane in the presence of a uniform magnetic field with a generalized quantization condition are proved to be the bases of the irreducible Hilbert representation spaces of the Lie algebra u(1, 1). The dynamical symmetry group U(1, 1) with the explicit form of the Lie algebra generators is extracted. It is also shown that the energy has an infinite-fold degeneracy in each of the representation spaces which are allocated to the different values of the magnetic field strength. Based on the simultaneous shift of two parameters, it is also noted that the quantum states realize the representations of Lie algebra u(2) by shifting the magnetic field strength.

SU(1 , 1) and SU(2) approaches to the radial oscillator: Generalized coherent states and squeezing of variances

NASA Astrophysics Data System (ADS)

Rosas-Ortiz, Oscar; Cruz y Cruz, Sara; Enríquez, Marco

2016-10-01

It is shown that each one of the Lie algebras su(1 , 1) and su(2) determine the spectrum of the radial oscillator. States that share the same orbital angular momentum are used to construct the representation spaces of the non-compact Lie group SU(1 , 1) . In addition, three different forms of obtaining the representation spaces of the compact Lie group SU(2) are introduced, they are based on the accidental degeneracies associated with the spherical symmetry of the system as well as on the selection rules that govern the transitions between different energy levels. In all cases the corresponding generalized coherent states are constructed and the conditions to squeeze the involved quadratures are analyzed.

Low-lying isomeric states in Ga80 from the β- decay of Zn80

NASA Astrophysics Data System (ADS)

Licǎ, R.; Mǎrginean, N.; GhiÅ£ǎ, D. G.; Mach, H.; Fraile, L. M.; Simpson, G. S.; Aprahamian, A.; Bernards, C.; Briz, J. A.; Bucher, B.; Chiara, C. J.; Dlouhý, Z.; Gheorghe, I.; Hoff, P.; Jolie, J.; Köster, U.; Kurcewicz, W.; Mǎrginean, R.; Olaizola, B.; Paziy, V.; Régis, J. M.; Rudigier, M.; Sava, T.; Stǎnoiu, M.; Stroe, L.; Walters, W. B.

2014-07-01

A new level scheme of Ga80 has been determined. This nucleus was populated following the β- decay of Zn80 at ISOLDE, CERN. The proposed level scheme is significantly different compared to the previously reported one and contains 26 levels up to 3.4 MeV in excitation energy. The present study establishes that the previously identified 1.9-s β--decaying 6- isomer is the ground state of Ga80 and the 1.3-s β--decaying 3- isomer lies at an excitation energy of 22.4 keV. A new isomeric level was identified at 707.8 keV and its half-life was measured to be 18.3(5) ns, allowing the 685.4-keV transition de-exciting this state to be assigned an M2 multipolarity. The newly measured spectroscopic observables are compared with shell-model calculations using the jj44bpn and JUN45 interactions.

Quasi-Maximum Likelihood Estimation of Structural Equation Models with Multiple Interaction and Quadratic Effects

ERIC Educational Resources Information Center

Klein, Andreas G.; Muthen, Bengt O.

2007-01-01

In this article, a nonlinear structural equation model is introduced and a quasi-maximum likelihood method for simultaneous estimation and testing of multiple nonlinear effects is developed. The focus of the new methodology lies on efficiency, robustness, and computational practicability. Monte-Carlo studies indicate that the method is highly…

Structural Model for Antisocial Behavior: Generalization to Single-Mother Families.

ERIC Educational Resources Information Center

Baldwin, David V.; Skinner, Martie L.

1989-01-01

The purpose of this study was to replicate the "basic training" structural model in Patterson's (1982) coercion theory, extending its scope to single-mother families with younger (six- to eight-year-old) boys. Significance of the successful replication was seen to lie in implications for the generalizability of the model across family…

Magnetic structure of DyFe3

NASA Astrophysics Data System (ADS)

Jin, Long-huan; W, J. James; J, Rhyne; R, Lemaire

1985-06-01

Powder neutron diffraction measurements have been carried out on the intermetallic compound DyFe3 at 4 and 295K. The magnetic structure of the compound at 4 and 295K are noncollinear but coplanar in the a-c plane, and the moments of the Dy and Fe ions lie closer to the basal plane.

Incommensurate crystallography without additional dimensions.

PubMed

Kocian, Philippe

2013-07-01

It is shown that the Euclidean group of translations, when treated as a Lie group, generates translations not only in Euclidean space but on any space, curved or not. Translations are then not necessarily vectors (straight lines); they can be any curve compatible with the parameterization of the considered space. In particular, attention is drawn to the fact that one and only one finite and free module of the Lie algebra of the group of translations can generate both modulated and non-modulated lattices, the modulated character being given only by the parameterization of the space in which the lattice is generated. Moreover, it is shown that the diffraction pattern of a structure is directly linked to the action of that free and finite module. In the Fourier transform of a whole structure, the Fourier transform of the electron density of one unit cell (i.e. the structure factor) appears concretely, whether the structure is modulated or not. Thus, there exists a neat separation: the geometrical aspect on the one hand and the action of the group on the other, without requiring additional dimensions.

Continuum and three-nucleon force effects on Be 9 energy levels

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

Langhammer, Joachim; Navrátil, Petr; Quaglioni, Sofia

2015-02-05

In this paper, we extend the recently proposed ab initio no-core shell model with continuum to include three-nucleon (3N) interactions beyond the few-body domain. The extended approach allows for the assessment of effects of continuum degrees of freedom as well as of the 3N force in ab initio calculations of structure and reaction observables of p- and lower-sd-shell nuclei. As a first application we concentrate on energy levels of the 9Be system for which all excited states lie above the n- 8Be threshold. For all energy levels, the inclusion of the continuum significantly improves the agreement with experiment, which wasmore » an issue in standard no-core shell model calculations. Furthermore, we find the proper treatment of the continuum indispensable for reliable statements about the quality of the adopted 3N interaction from chiral effective field theory. Finally, in particular, we find the 1/2 + resonance energy, which is of astrophysical interest, in good agreement with experiment.« less

High-spin level structure and Ground-state phase transition in the odd-mass 103-109Rh isotopes in the framework of exactly solvable sdg interacting boson-fermion model

NASA Astrophysics Data System (ADS)

Ghapanvari, M.; Ghorashi, A. H.; Ranjbar, Z.; Jafarizadeh, M. A.

2018-03-01

In this article, the negative-parity states in the odd-mass 103 - 109Rh isotopes in terms of the sd and sdg interacting-boson fermion models were studied. The transitional interacting boson-fermion model Hamiltonians in sd and sdg-IBFM versions based on affine SU (1 , 1) Lie Algebra were employed to describe the evolution from the spherical to deformed gamma unstable shapes along with the chain of Rh isotopes. In this method, sdg-IBFM Hamiltonian, which is a three level pairing Hamiltonian was determined easily via the exactly solvable method. Some observables of the shape phase transitions such as energy levels, the two neutron separation energies, signature splitting of the γ-vibrational band, the α-decay and double β--decay energies were calculated and examined for these isotopes. The present calculation correctly reproduces the spherical to gamma-soft phase transition in the Rh isotopes. Some comparisons were made with sd-IBFM.

Energy levels, wavelengths, and radiative transition probabilities for the Na-like ions with 38 [le] Z [le] 45

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

Ying Zhang; Qiren Zhu; Shoufu Pan

1992-11-01

The investigation by Z.-Q Zhang et al. (Acta Optica Sinica 11, 193, 1991) shows that it is possible to realize soft X-ray lasing in the water window 23.3-43.8 [Angstrom] with the Na-like recombination scheme, which requires a lower pumping power at a high-power laser facility than that with other schemes. The fine-structure levels with n [le] 15 and l [le] 6 in Na-like ions with 38 [le] Z [le] 45 and the probabilities for radiative transitions between these levels are calculated using the multiconfiguration Dirac-Fock approach. The calculations show that the wavelengths of the anticipated laser transitions 6 f-4d andmore » 6g-4f in the Na-like ions with 38 [le] Z [le] 43 and 5f-4d and 5g-4f in the Na-like ions with 40 [le] Z [le] 45 lie in the region of the water window.« less

Adélie penguin survival: age structure, temporal variability and environmental influences.

PubMed

Emmerson, Louise; Southwell, Colin

2011-12-01

The driving factors of survival, a key demographic process, have been particularly challenging to study, especially for winter migratory species such as the Adélie penguin (Pygoscelis adeliae). While winter environmental conditions clearly influence Antarctic seabird survival, it has been unclear to which environmental features they are most likely to respond. Here, we examine the influence of environmental fluctuations, broad climatic conditions and the success of the breeding season prior to winter on annual survival of an Adélie penguin population using mark-recapture models based on penguin tag and resight data over a 16-year period. This analysis required an extension to the basic Cormack-Jolly-Seber model by incorporating age structure in recapture and survival sub-models. By including model covariates, we show that survival of older penguins is primarily related to the amount and concentration of ice present in their winter foraging grounds. In contrast, fledgling and yearling survival depended on other factors in addition to the physical marine environment and outcomes of the previous breeding season, but we were unable to determine what these were. The relationship between sea-ice and survival differed with penguin age: extensive ice during the return journey to breeding colonies was detrimental to survival for the younger penguins, whereas either too little or too much ice (between 15 and 80% cover) in the winter foraging grounds was detrimental for adults. Our results demonstrate that predictions of Adélie penguin survival can be improved by taking into account penguin age, prior breeding conditions and environmental features.

Magnetic quantization in monolayer bismuthene

NASA Astrophysics Data System (ADS)

Chen, Szu-Chao; Chiu, Chih-Wei; Lin, Hui-Chi; Lin, Ming-Fa

The magnetic quantization in monolayer bismuthene is investigated by the generalized tight-binding model. The quite large Hamiltonian matrix is built from the tight-binding functions of the various sublattices, atomic orbitals and spin states. Due to the strong spin orbital coupling and sp3 bonding, monolayer bismuthene has the diverse low-lying energy bands such as the parabolic, linear and oscillating energy bands. The main features of band structures are further reflected in the rich magnetic quantization. Under a uniform perpendicular magnetic field (Bz) , three groups of Landau levels (LLs) with distinct features are revealed near the Fermi level. Their Bz-dependent energy spectra display the linear, square-root and non-monotonous dependences, respectively. These LLs are dominated by the combinations of the 6pz orbital and (6px,6py) orbitals as a result of strong sp3 bonding. Specifically, the LL anti-crossings only occur between LLs originating from the oscillating energy band.

Electronic and spin structure of the wide-band-gap topological insulator: Nearly stoichiometric Bi2Te2S

NASA Astrophysics Data System (ADS)

Annese, E.; Okuda, T.; Schwier, E. F.; Iwasawa, H.; Shimada, K.; Natamane, M.; Taniguchi, M.; Rusinov, I. P.; Eremeev, S. V.; Kokh, K. A.; Golyashov, V. A.; Tereshchenko, O. E.; Chulkov, E. V.; Kimura, A.

2018-05-01

We have grown the phase-homogeneous ternary compound with composition Bi2Te1.85S1.15 very close to the stoichiometric Bi2Te2S . The measurements performed with spin- and angle-resolved photoelectron spectroscopy as well as density functional theory and G W calculations revealed a wide-band-gap three-dimensional topological insulator phase. The surface electronic spectrum is characterized by the topological surface state (TSS) with Dirac point located above the valence band and Fermi level lying in the band gap. TSS band dispersion and constant energy contour manifest a weak warping effect near the Fermi level along with in-plane and out-of-plane spin polarization along the Γ ¯-K ¯ line. We identified four additional states at deeper binding energies with high in-plane spin polarization.

Vacuum ultraviolet spectroscopy of the lowest-lying electronic state in subcritical and supercritical water

NASA Astrophysics Data System (ADS)

Marin, Timothy W.; Janik, Ireneusz; Bartels, David M.; Chipman, Daniel M.

2017-05-01

The nature and extent of hydrogen bonding in water has been scrutinized for decades, including how it manifests in optical properties. Here we report vacuum ultraviolet absorption spectra for the lowest-lying electronic state of subcritical and supercritical water. For subcritical water, the spectrum redshifts considerably with increasing temperature, demonstrating the gradual breakdown of the hydrogen-bond network. Tuning the density at 381 °C gives insight into the extent of hydrogen bonding in supercritical water. The known gas-phase spectrum, including its vibronic structure, is duplicated in the low-density limit. With increasing density, the spectrum blueshifts and the vibronic structure is quenched as the water monomer becomes electronically perturbed. Fits to the supercritical water spectra demonstrate consistency with dimer/trimer fractions calculated from the water virial equation of state and equilibrium constants. Using the known water dimer interaction potential, we estimate the critical distance between molecules (ca. 4.5 Å) needed to explain the vibronic structure quenching.

Vacuum ultraviolet spectroscopy of the lowest-lying electronic state in subcritical and supercritical water

DOE PAGES

Marin, Timothy W.; Janik, Ireneusz; Bartels, David M.; ...

2017-05-17

The nature and extent of hydrogen bonding in water has been scrutinized for decades, including how it manifests in optical properties. Here we report vacuum ultraviolet absorption spectra for the lowest-lying electronic state of subcritical and supercritical water. For subcritical water, the spectrum redshifts considerably with increasing temperature, demonstrating the gradual breakdown of the hydrogen-bond network. Tuning the density at 381°C gives insight into the extent of hydrogen bonding in supercritical water. The known gas-phase spectrum, including its vibronic structure, is duplicated in the low-density limit. With increasing density, the spectrum blueshifts and the vibronic structure is quenched as themore » water monomer becomes electronically perturbed. Fits to the supercritical water spectra demonstrate consistency with dimer/trimer fractions calculated from the water virial equation of state and equilibrium constants. As a result, using the known water dimer interaction potential, we estimate the critical distance between molecules (ca. 4.5 Å) needed to explain the vibronic structure quenching.« less

Experimental and theoretical investigation of three-dimensional nitrogen-doped aluminum clusters AI 8N - and AI 8N

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

Wang, Leiming; Huang, Wei; Wang, Lai S.

The structure and electronic properties of the Al 8N - and Al 8N clusters were investigated by combined photoelectron spectroscopy and ab initio studies. Congested photoelectron spectra were observed and experimental evidence was obtained for the presence of multiple isomers for Al 8N - Global minimum searches revealed several structures for Al 8N - with close energies. The calculated vertical detachment energies of the two lowest-lying isomers, which are of C 2v and C s symmetry, respectively, were shown to agree well with the experimental data. Unlike the three-dimensional structures of Al 6N - and Al 7N -, in whichmore » the dopant N atom has a high coordination number of 6,the dopant N atom in the two low-lying isomers of Al 8N - has a lower coordination number of 4 and 5, respectively. The competition between the Al–Al and Al–N interactions are shown to determine the global minimum structures of the doped aluminum clusters and results in the structural diversity for both Al 8N - and Al8N. © 2009 American Institute of Physics« less

Diverse roles of hydrogen in rhenium carbonyl chemistry: hydrides, dihydrogen complexes, and a formyl derivative.

PubMed

Li, Nan; Xie, Yaoming; King, R Bruce; Schaefer, Henry F

2010-11-04

Rhenium carbonyl hydride chemistry dates back to the 1959 synthesis of HRe(CO)₅ by Hieber and Braun. The binuclear H₂Re₂(CO)₈ was subsequently synthesized as a stable compound with a central Re₂(μ-H)₂ unit analogous to the B₂(μ-H)₂ unit in diborane. The complete series of HRe(CO)(n) (n = 5, 4, 3) and H₂Re₂(CO)(n) (n = 9, 8, 7, 6) derivatives have now been investigated by density functional theory. In contrast to the corresponding manganese derivatives, all of the triplet rhenium structures are found to lie at relatively high energies compared with the corresponding singlet structures consistent with the higher ligand field splitting of rhenium relative to manganese. The lowest energy HRe(CO)₅ structure is the expected octahedral structure. Low-energy structures for HRe(CO)(n) (n = 4, 3) are singlet structures derived from the octahedral HRe(CO)₅ structure by removal of one or two carbonyl groups. For H₂Re₂(CO)₉ a structure HRe₂(CO)₉(μ-H), with one terminal and one bridging hydrogen atom, lies within 3 kcal/mol of the structure Re₂(CO)₉(η²-H₂), similar to that of Re₂(CO)₁₀. For H₂Re₂(CO)(n) (n = 8, 7, 6) the only low-energy structures are doubly bridged singlet Re₂(μ-H)₂(CO)(n) structures. Higher energy dihydrogen complex structures are also found.

Growing Up and Cleaning Up: The Environmental Kuznets Curve Redux

PubMed Central

Franklin, Rachel S.; Ruth, Matthias

2014-01-01

Borrowing from the Kuznets curve literature, researchers have coined the term “environmental Kuznets curve” or EKC to characterize the relationship between pollution levels and income: pollution levels will increase with income but some threshold of income will eventually be reached, beyond which pollution levels will decrease. The link between the original Kuznets curve, which posited a similar relationship between income and inequality, and its pollution-concerned offspring lies primarily with the shape of both curves (an upside-down U) and the central role played by income change. Although the EKC literature has burgeoned over the past several years, few concrete conclusions have been drawn, the main themes of the literature have remained constant, and no consensus has been reached regarding the existence of an environmental Kuznets curve. EKC research has used a variety of types of data and a range of geographical units to examine the effects of income levels on pollution. Changes in pollution levels might also be at least partly explained by countries’ position in the demographic transition and their general population structure, however little research has included this important aspect in the analysis. In addition, few analyses confine themselves to an evaluation for one country of the long-term relationship between income and pollution. Using United States CO2 emissions as well as demographic, employment, trade and energy price data, this paper seeks to highlight the potential impact of population and economic structure in explaining the relationship between income and pollution levels. PMID:25214678

Growing Up and Cleaning Up: The Environmental Kuznets Curve Redux.

PubMed

Franklin, Rachel S; Ruth, Matthias

2012-01-01

Borrowing from the Kuznets curve literature, researchers have coined the term "environmental Kuznets curve" or EKC to characterize the relationship between pollution levels and income: pollution levels will increase with income but some threshold of income will eventually be reached, beyond which pollution levels will decrease. The link between the original Kuznets curve, which posited a similar relationship between income and inequality, and its pollution-concerned offspring lies primarily with the shape of both curves (an upside-down U) and the central role played by income change. Although the EKC literature has burgeoned over the past several years, few concrete conclusions have been drawn, the main themes of the literature have remained constant, and no consensus has been reached regarding the existence of an environmental Kuznets curve. EKC research has used a variety of types of data and a range of geographical units to examine the effects of income levels on pollution. Changes in pollution levels might also be at least partly explained by countries' position in the demographic transition and their general population structure, however little research has included this important aspect in the analysis. In addition, few analyses confine themselves to an evaluation for one country of the long-term relationship between income and pollution. Using United States CO 2 emissions as well as demographic, employment, trade and energy price data, this paper seeks to highlight the potential impact of population and economic structure in explaining the relationship between income and pollution levels.

FAST TRACK COMMUNICATION Multi-component generalizations of the CH equation: geometrical aspects, peakons and numerical examples

NASA Astrophysics Data System (ADS)

Holm, D. D.; Ivanov, R. I.

2010-12-01

The Lax pair formulation of the two-component Camassa-Holm equation (CH2) is generalized to produce an integrable multi-component family, CH(n, k), of equations with n components and 1 <= |k| <= n velocities. All of the members of the CH(n, k) family show fluid-dynamics properties with coherent solitons following particle characteristics. We determine their Lie-Poisson Hamiltonian structures and give numerical examples of their soliton solution behaviour. We concentrate on the CH(2, k) family with one or two velocities, including the CH(2, -1) equation in the Dym position of the CH2 hierarchy. A brief discussion of the CH(3, 1) system reveals the underlying graded Lie-algebraic structure of the Hamiltonian formulation for CH(n, k) when n >= 3. Fondly recalling our late friend Jerry Marsden.

Structural deformation at the Flynn Creek impact crater, Tennessee - A preliminary report on deep drilling

NASA Technical Reports Server (NTRS)

Roddy, D. J.

1979-01-01

The geologic and core drilling studies described in the present paper show that the Flynn Creek crater has such distinctive morphological features as a broad flat hummocky floor; large central peak; locally terraced crater walls; uplifted, as well as flat-lying rim segments; and a surrounding ejecta blanket. The major structural features include a shallow depth of total brecciation and excavation as compared with apparent crater diameter; a thin breccia lens underlain by a thin zone of disrupted strata; concentric ring fault zones in inner rim, beneath crater wall, and outer crater floor regions; a large central uplift underlain by a narrow dipping zone of deeply disrupted strata; faulted, folded, brecciated, and fractured rim strata; and uplifted rim strata, which dip away from the crater, and flat-lying rim strata, which terminate as inward dipping rocks.

Relaxation and turbulence effects on sonic boom signatures

NASA Technical Reports Server (NTRS)

Pierce, Allan D.; Sparrow, Victor W.

1992-01-01

The rudimentary theory of sonic booms predicts that the pressure signatures received at the ground begin with an abrupt shock, such that the overpressure is nearly abrupt. This discontinuity actually has some structure, and a finite time is required for the waveform to reach its peak value. This portion of the waveform is here termed the rise phase, and it is with this portion that this presentation is primarily concerned. Any time characterizing the duration of the rise phase is loosely called the 'rise time.' Various definitions are used in the literature for this rise time. In the present discussion the rise time can be taken as the time for the waveform to rise from 10 percent of its peak value to 90 percent of its peak value. The available data on sonic booms that appears in the open literature suggests that typical values of shock over-pressure lie in the range of 30 Pa to 200 Pa, typical values of shock duration lie in the range of 150 ms to 250 ms, and typical values of the rise time lie in the range of 1 ms to 5 ms. The understanding of the rise phase of sonic booms is important because the perceived loudness of a shock depends primarily on the structure of the rise phase. A longer rise time typically implies a less loud shock. A primary question is just what physical mechanisms are most important for the determination of the detailed structure of the rise phase.

Structural crashworthiness

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

Jones, N.; Wierzbicki, T.

1983-01-01

Behind the quest for safety in all forms of transport lies a complex technology of which structural crashworthiness forms an important part. This volume contains the work of over twenty experts whose interests range from the fundamental principles of structural collapse to the application of those principles to the design of ships, aircraft, road vehicles, and rail vehicles. The text focuses on the application of analytical and experimental techniques to predict energy dissipation characteristics of thin-walled structures and structural members under quasi-static and dynamic loadings.

Forced folding in a salty basin: Gada'-Ale in the Afar

NASA Astrophysics Data System (ADS)

Rafflin, Victoria; Hetherington, Rachel; Hagos, Miruts; van Wyk de Vries, Benjamin

2017-04-01

The Gada'-Ale Volcano in the Danakil Depression of Ethiopia is a curious shield-like, or flat dome-like volcanic centre in the Afar Rift. It has several fissure eruptions seen on its mid and lower flanks. It has an even more curious ring structure on its western side that has been interpreted as a salt diapir. The complex lies the central part of the basin where there are 1-2 km thick salt deposits. The area was active in 1990's (Amelung et al 2000) with no eruptive activity, but a possible intrusion. There was also an intrusion north of Gada'-Ale at Dallol in 2005 (Nobile et al 2012). Using Google Earth imagery, we have mapped the volcano, and note that: a) the main edifice has a thin skin of lava lying light coloured rock; b) that these thin deposits are sliding down the flank of volcano, and thrusting at the base. In doing so, they are breaking into detached plates. The light colour of the deposits, and the ability of the rock to slide on them suggest that are salt; Fractures on and around the volcano form curved patterns, around raised areas with several km diameter. These could be surface expressions of shallow sills. Putting the observations together with the known geology of adjacent centres like Dallol and Alu, we suggest that Gada'-Ale is a forced fold, created over a sill that has either bulged into a laccolith, or risen as a saucer-shaped sill. The upraised salt has caused the thin veneer of volcanics to slide off. That there are eruptive fissures on Gada'-Ale, and possible sill intrusions around the base suggests that the centre lies over a complex of sills that have gradually intruded and bulged the structure to its present level. Eruptions have contribute only a small amount to the whole topography of the edifice. We hope to visit the volcano in March and will being hot-off-the press details back to the EGU!

Electronic and thermodynamic properties of layered Hf2Sfrom first-principles calculations

NASA Astrophysics Data System (ADS)

Nandadasa, Chandani; Yoon, Mina; Kim, Seong-Gon; Erwin, Steve; Kim, Sungho; Kim, Sung Wng; Lee, Kimoon

Theoretically we explored two stable phases of inorganic fullerene-like structure of the layered dihafnium sulfide (Hf2 S) . We investigated structural and electronic properties of the two phases of Hf2 S by using first-principles calculations. Our calculation identifies experimentally observed anti-NbS2 structure of Hf2 S . Our electronic calculation results indicate that the density of states of anti- NbS2 structure of Hf2 S at fermi level is less than that of the other phase of Hf2 S . To study the relative stability of different phases at finite temperature Helmholtz free energies of two phases are obtained using density functional theory and density functional perturbation theory. The free energy of the anti-NbS2 structure of Hf2 S always lies below the free energy of the other phase by confirming the most stable structure of Hf2 S . The phonon dispersion, phonon density of states including partial density of states and total density of states are obtained within density functional perturbation theory. Our calculated zero-pressure phonon dispersion curves confirm that the thermodynamic stability of Hf2 S structures. For further investigation of thermodynamic properties, the temperature dependency of thermal expansion, heat capacities at constant pressure and volume are evaluated within the quasiharmonic approximations (QHA).

Estimation and Analysis of Nonlinear Stochastic Systems. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Marcus, S. I.

1975-01-01

The algebraic and geometric structures of certain classes of nonlinear stochastic systems were exploited in order to obtain useful stability and estimation results. The class of bilinear stochastic systems (or linear systems with multiplicative noise) was discussed. The stochastic stability of bilinear systems driven by colored noise was considered. Approximate methods for obtaining sufficient conditions for the stochastic stability of bilinear systems evolving on general Lie groups were discussed. Two classes of estimation problems involving bilinear systems were considered. It was proved that, for systems described by certain types of Volterra series expansions or by certain bilinear equations evolving on nilpotent or solvable Lie groups, the optimal conditional mean estimator consists of a finite dimensional nonlinear set of equations. The theory of harmonic analysis was used to derive suboptimal estimators for bilinear systems driven by white noise which evolve on compact Lie groups or homogeneous spaces.

More on quantum groups from the quantization point of view

NASA Astrophysics Data System (ADS)

Jurčo, Branislav

1994-12-01

Star products on the classical double group of a simple Lie group and on corresponding symplectic groupoids are given so that the quantum double and the “quantized tangent bundle” are obtained in the deformation description. “Complex” quantum groups and bicovariant quantum Lie algebras are discussed from this point of view. Further we discuss the quantization of the Poisson structure on the symmetric algebra S(g) leading to the quantized enveloping algebra U h (g) as an example of biquantization in the sense of Turaev. Description of U h (g) in terms of the generators of the bicovariant differential calculus on F(G q ) is very convenient for this purpose. Finaly we interpret in the deformation framework some well known properties of compact quantum groups as simple consequences of corresponding properties of classical compact Lie groups. An analogue of the classical Kirillov's universal character formula is given for the unitary irreducble representation in the compact case.

Excitations and relaxation dynamics in multiferroic GeV4S8 studied by terahertz and dielectric spectroscopy

NASA Astrophysics Data System (ADS)

Reschke, S.; Wang, Zhe; Mayr, F.; Ruff, E.; Lunkenheimer, P.; Tsurkan, V.; Loidl, A.

2017-10-01

We report on THz time-domain spectroscopy on multiferroic GeV4S8 , which undergoes orbital ordering at a Jahn-Teller transition at 30.5 K and exhibits antiferromagnetic order below 14.6 K. The THz experiments are complemented by dielectric experiments at audio and radio frequencies. We identify a low-lying excitation close to 0.5 THz, which is only weakly temperature dependent and probably corresponds to a molecular excitation within the electronic level scheme of the V4 clusters. In addition, we detect complex temperature-dependent behavior of a low-lying phononic excitation, closely linked to the onset of orbitally driven ferroelectricity. In the high-temperature cubic phase, which is paramagnetic and orbitally disordered, this excitation is of relaxational character becomes an overdamped Lorentzian mode in the orbitally ordered phase below the Jahn-Teller transition, and finally appears as well-defined phonon excitation in the antiferromagnetic state. Abrupt changes in the real and imaginary parts of the complex dielectric permittivity show that orbital ordering appears via a structural phase transition with strong first-order character and that the onset of antiferromagnetic order is accompanied by significant structural changes, which are of first-order character, too. Dielectric spectroscopy documents that at low frequencies, significant dipolar relaxations are present in the orbitally ordered, paramagnetic phase only. In contrast to the closely related GaV4S8 , this relaxation dynamics that most likely mirrors coupled orbital and polar fluctuations does not seem to be related to the dynamic processes detected in the THz regime.

Graph theory and the Virasoro master equation

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

Obers, N.A.J.

1991-01-01

A brief history of affine Lie algebra, the Virasoro algebra and its culmination in the Virasoro master equation is given. By studying ansaetze of the master equation, the author obtains exact solutions and gains insight in the structure of large slices of affine-Virasoro space. He finds an isomorphism between the constructions in the ansatz SO(n){sub diag}, which is a set of unitary, generically irrational affine-Virasoro constructions on SO(n), and the unlabeled graphs of order n. On the one hand, the conformal constructions, are classified by the graphs, while, conversely, a group-theoretic and conformal field-theoretic identification is obtained for every graphmore » of graph theory. He also defines a class of magic Lie group bases in which the Virasoro master equation admits a simple metric ansatz {l brace}g{sub metric}{r brace}, whose structure is visible in the high-level expansion. When a magic basis is real on compact g, the corresponding g{sub metric} is a large system of unitary, generically irrational conformal field theories. Examples in this class include the graph-theory ansatz SO(n){sub diag} in the Cartesian basis of SO(n), and the ansatz SU(n){sub metric} in the Pauli-like basis of SU(n). Finally, he defines the sine-area graphs' of SU(n), which label the conformal field theories of SU(n){sub metric}, and he notes that, in similar fashion, each magic basis of g defines a generalized graph theory on g which labels the conformal field theories of g{sub metric}.« less

Observation of the fluorescence spectrum for a driven cascade model system in atomic beam.

PubMed

Tian, Si-Cong; Wang, Chun-Liang; Tong, Cun-Zhu; Wang, Li-Jun; Wang, Hai-Hua; Yang, Xiu-Bin; Kang, Zhi-Hui; Gao, Jin-Yue

2012-10-08

We experimentally study the resonance fluorescence from an excited two-level atom when the atomic upper level is coupled by a nonresonant field to a higher-lying state in a rubidium atomic beam. The heights, widths and positions of the fluorescence peaks can be controlled by modifying the detuning of the auxiliary field. We explain the observed spectrum with the transition properties of the dressed states generated by the coupling of the two laser fields. We also attribute the line narrowing to the effects of Spontaneously Generated Coherence between the close-lying levels in the dressed state picture generated by the auxiliary field. And the corresponding spectrum can be viewed as the evidence of Spontaneously Generated Coherence. The experimental results agree well with calculations based on the density-matrix equations.

Orientation-dependent energy level alignment and film growth of 2,7-diocty[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on HOPG

NASA Astrophysics Data System (ADS)

Lyu, Lu; Niu, Dongmei; Xie, Haipeng; Cao, Ningtong; Zhang, Hong; Zhang, Yuhe; Liu, Peng; Gao, Yongli

2016-01-01

Combining ultraviolet photoemission spectroscopy, X-ray photoemission spectroscopy, atomic force microscopy, and X-ray diffraction measurements, we performed a systematic investigation on the correlation of energy level alignment, film growth, and molecular orientation of 2,7-diocty[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on highly oriented pyrolytic graphite. The molecules lie down in the first layer and then stand up from the second layer. The ionization potential shows a sharp decrease from the lying down region to the standing up region. When C8-BTBT molecules start standing up, unconventional energy level band-bending-like shifts are observed as the film thickness increases. These shifts are ascribed to gradual decreasing of the molecular tilt angle about the substrate normal with the increasing film thickness.

Orientation-dependent energy level alignment and film growth of 2,7-diocty[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on HOPG.

PubMed

Lyu, Lu; Niu, Dongmei; Xie, Haipeng; Cao, Ningtong; Zhang, Hong; Zhang, Yuhe; Liu, Peng; Gao, Yongli

2016-01-21

Combining ultraviolet photoemission spectroscopy, X-ray photoemission spectroscopy, atomic force microscopy, and X-ray diffraction measurements, we performed a systematic investigation on the correlation of energy level alignment, film growth, and molecular orientation of 2,7-diocty[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on highly oriented pyrolytic graphite. The molecules lie down in the first layer and then stand up from the second layer. The ionization potential shows a sharp decrease from the lying down region to the standing up region. When C8-BTBT molecules start standing up, unconventional energy level band-bending-like shifts are observed as the film thickness increases. These shifts are ascribed to gradual decreasing of the molecular tilt angle about the substrate normal with the increasing film thickness.

Impacts of memory on a regular lattice for different population sizes with asynchronous update in spatial snowdrift game

NASA Astrophysics Data System (ADS)

Shu, Feng; Liu, Xingwen; Li, Min

2018-05-01

Memory is an important factor on the evolution of cooperation in spatial structure. For evolutionary biologists, the problem is often how cooperation acts can emerge in an evolving system. In the case of snowdrift game, it is found that memory can boost cooperation level for large cost-to-benefit ratio r, while inhibit cooperation for small r. Thus, how to enlarge the range of r for the purpose of enhancing cooperation becomes a hot issue recently. This paper addresses a new memory-based approach and its core lies in: Each agent applies the given rule to compare its own historical payoffs in a certain memory size, and take the obtained maximal one as virtual payoff. In order to get the optimal strategy, each agent randomly selects one of its neighbours to compare their virtual payoffs, which can lead to the optimal strategy. Both constant-size memory and size-varying memory are investigated by means of a scenario of asynchronous updating algorithm on regular lattices with different sizes. Simulation results show that this approach effectively enhances cooperation level in spatial structure and makes the high cooperation level simultaneously emerge for both small and large r. Moreover, it is discovered that population sizes have a significant influence on the effects of cooperation.

Structure analyses of the explosive extratropical cyclone: A case study over the Northwestern Pacific in March 2007

NASA Astrophysics Data System (ADS)

Wang, Shuai; Fu, Gang; Pang, Huaji

2017-12-01

The synoptic situation and mesoscale structure of an explosive extratropical cyclone over the Northwestern Pacific in March 2007 are investigated through weather station observations and data reanalysis. The cyclone is located beneath the poleward side of the exit of a 200 hPa jet, which is a strong divergent region aloft. At mid-level, the cyclone lies on the downstream side of a well-developed trough, where a strong ascending motion frequently occurs. Cross-section analyses with weather station data show that the cyclone has a warm and moist core. A `nose' of the cold front, which is characterized by a low-level protruding structure in the equivalent potential temperature field, forms when the cyclone moves offshore. This `nose' structure is hypothesized to have been caused by the heating effect of the Kuroshio Current. Two low-level jet streams are also identified on the western and eastern sides of the cold front. The western jet conveys cold and dry air at 800-900 hPa. The wind in the northern part is northeasterly, and the wind in the southern part is northwesterly. By contrast, the eastern jet carries warm and moist air into the cyclone system, ascending northward from 900 hPa to 600-700 hPa. The southern part is dominated by the southerly wind, and the wind in the northern part is southwesterly. The eastern and western jets significantly increase the air temperature and moisture contrast in the vicinity of the cold front. This increase could play an important role in improving the rapid cyclogenesis process.

Analysis of diverse regulatory networks in a hierarchical context shows consistent tendencies for collaboration in the middle levels

PubMed Central

Bhardwaj, Nitin; Yan, Koon-Kiu; Gerstein, Mark B.

2010-01-01

Gene regulatory networks have been shown to share some common aspects with commonplace social governance structures. Thus, we can get some intuition into their organization by arranging them into well-known hierarchical layouts. These hierarchies, in turn, can be placed between the extremes of autocracies, with well-defined levels and clear chains of command, and democracies, without such defined levels and with more co-regulatory partnerships between regulators. In general, the presence of partnerships decreases the variation in information flow amongst nodes within a level, more evenly distributing stress. Here we study various regulatory networks (transcriptional, modification, and phosphorylation) for five diverse species, Escherichia coli to human. We specify three levels of regulators—top, middle, and bottom—which collectively govern the non-regulator targets lying in the lowest fourth level. We define quantities for nodes, levels, and entire networks that measure their degree of collaboration and autocratic vs. democratic character. We show individual regulators have a range of partnership tendencies: Some regulate their targets in combination with other regulators in local instantiations of democratic structure, whereas others regulate mostly in isolation, in more autocratic fashion. Overall, we show that in all networks studied the middle level has the highest collaborative propensity and coregulatory partnerships occur most frequently amongst midlevel regulators, an observation that has parallels in corporate settings where middle managers must interact most to ensure organizational effectiveness. There is, however, one notable difference between networks in different species: The amount of collaborative regulation and democratic character increases markedly with overall genomic complexity. PMID:20351254

Excitation of higher lying energy states in a rubidium DPAL

NASA Astrophysics Data System (ADS)

Wallerstein, A. J.; Perram, Glen; Rice, Christopher A.

2018-02-01

The spontaneous emission in a cw rubidium diode dumped alkali laser (DPAL) system was analyzed. The fluorescence from higher lying states decreases with additional buffer gas. The intermediate states (7S, 6P, 5D) decay more slowly with buffer gas and scale super-linearly with alkali density. A detailed kinetic model has been constructed, where the dominant mechanisms are energy pooling and single photon ionization. It also includes pumping into the non-Lorentzian wings of absorption profiles, fine structure mixing, collisional de-excitation, and Penning ionization. Effects of ionization in a high powered CW rubidium DPAL were assessed.

Nanodiamonds + bacteriochlorin as an infrared photosensitizer for deep-lying tumor diagnostics and therapy

NASA Astrophysics Data System (ADS)

Sharova, A. S.; Maklygina, YU S.; Lisichkin, G. V.; Mingalev, P. G.; Loschenov, V. B.

2016-08-01

The spectroscopic properties of potentially perspective nanostructure: diamond nanoparticles with a surface layer of IR-photosensitizer, bacteriochlorin, were experimentally investigated in this study. Such specific structure of the object encourages enhancement of the drug tropism to the tumor, as well as increasing of photodynamic penetration depth. The size distribution spectra of diamond nanoparticles; diamond nanoparticles, artificially covered with bacteriochlorin molecules layer, in aqueous solution, were obtained during the study. Based on the absorption and fluorescence spectra analysis, the benefits of functional nanostructure as a drug for deep-lying tumor diagnostics and therapy were reviewed.

The Pontryagin class for pre-Courant algebroids

NASA Astrophysics Data System (ADS)

Liu, Zhangju; Sheng, Yunhe; Xu, Xiaomeng

2016-06-01

In this paper, we show that the Jacobiator J of a pre-Courant algebroid is closed naturally. The corresponding equivalence class [J♭ ] is defined as the Pontryagin class, which is the obstruction of a pre-Courant algebroid to be deformed into a Courant algebroid. We construct a Leibniz 2-algebra and a Lie 2-algebra associated to a pre-Courant algebroid and prove that these algebraic structures are isomorphic under deformations. Finally, we introduce the twisted action of a Lie algebra on a manifold to give more examples of pre-Courant algebroids, which include the Cartan geometry.

On a Poisson homogeneous space of bilinear forms with a Poisson-Lie action

NASA Astrophysics Data System (ADS)

Chekhov, L. O.; Mazzocco, M.

2017-12-01

Let \\mathscr A be the space of bilinear forms on C^N with defining matrices A endowed with a quadratic Poisson structure of reflection equation type. The paper begins with a short description of previous studies of the structure, and then this structure is extended to systems of bilinear forms whose dynamics is governed by the natural action A\\mapsto B ABT} of the {GL}_N Poisson-Lie group on \\mathscr A. A classification is given of all possible quadratic brackets on (B, A)\\in {GL}_N× \\mathscr A preserving the Poisson property of the action, thus endowing \\mathscr A with the structure of a Poisson homogeneous space. Besides the product Poisson structure on {GL}_N× \\mathscr A, there are two other (mutually dual) structures, which (unlike the product Poisson structure) admit reductions by the Dirac procedure to a space of bilinear forms with block upper triangular defining matrices. Further generalisations of this construction are considered, to triples (B,C, A)\\in {GL}_N× {GL}_N× \\mathscr A with the Poisson action A\\mapsto B ACT}, and it is shown that \\mathscr A then acquires the structure of a Poisson symmetric space. Generalisations to chains of transformations and to the quantum and quantum affine algebras are investigated, as well as the relations between constructions of Poisson symmetric spaces and the Poisson groupoid. Bibliography: 30 titles.

The Impact of Goal Setting and Empowerment on Governmental Matrix Organizations

DTIC Science & Technology

1993-09-01

shared. In a study of matrix management, Eduardo Vasconcellos further describes various matrix structures in the Galbraith model. In a functional...Technology/LAR, Wright-Patterson AFB OH, 1992. Vasconcellos , Eduardo . "A Model For a Better Understanding of the Matrix Structure," IEEE Transactions on...project matrix, the project manager maintains more influence and the structure lies to the right-of center ( Vasconcellos , 1979:58). Different Types of

RNAiFold: a web server for RNA inverse folding and molecular design.

PubMed

Garcia-Martin, Juan Antonio; Clote, Peter; Dotu, Ivan

2013-07-01

Synthetic biology and nanotechnology are poised to make revolutionary contributions to the 21st century. In this article, we describe a new web server to support in silico RNA molecular design. Given an input target RNA secondary structure, together with optional constraints, such as requiring GC-content to lie within a certain range, requiring the number of strong (GC), weak (AU) and wobble (GU) base pairs to lie in a certain range, the RNAiFold web server determines one or more RNA sequences, whose minimum free-energy secondary structure is the target structure. RNAiFold provides access to two servers: RNA-CPdesign, which applies constraint programming, and RNA-LNSdesign, which applies the large neighborhood search heuristic; hence, it is suitable for larger input structures. Both servers can also solve the RNA inverse hybridization problem, i.e. given a representation of the desired hybridization structure, RNAiFold returns two sequences, whose minimum free-energy hybridization is the input target structure. The web server is publicly accessible at http://bioinformatics.bc.edu/clotelab/RNAiFold, which provides access to two specialized servers: RNA-CPdesign and RNA-LNSdesign. Source code for the underlying algorithms, implemented in COMET and supported on linux, can be downloaded at the server website.

High-Statistics Study of the β+/EC-Decay of 110In

NASA Astrophysics Data System (ADS)

Diaz Varela, A.; Garrett, P. E.; Ball, G. C.; Banjay, J. C.; Cross, D. S.; Demand, G. A.; Finlay, P.; Garnsworthy, A. B.; Green, K. L.; Hackman, G.; Kulp, W. D.; Leach, K. G.; Orce, J. N.; Phillips, A. A.; Rand, E. T.; Svensson, C. E.; Sumithrarachchi, C.; Triambak, S.; Wong, J.; Wood, J. L.; Yates, S. W.

2014-03-01

A study of the 110In β+/EC decay was performed at the TRIUMF Isotope Separator and Accelerator (ISAC) facility to probe the nuclear structure of 110Cd. The data were collected in scaled-down γ-ray singles, γ - γ coincidence, and γ-electron coincidence mode. The data were sorted and a random-background subtracted γ - γ matrix was created containing a total of 850 million events. We expanded the level scheme of 110Cd significantly by identifying 75 levels under 3.8 MeV, including 12 new ones, and increased the number of previously observed transitions from these levels to 273. The γ-ray branching intensities have been extracted through an analysis of the coincidence intensities. The branching ratios were combined with a reanalysis of lifetimes measurements obtained in an (n, n'γ) reaction with monoenergetic neutrons for the calculation of B(E2) values and these results have lead to the proposal of a γ-soft rotor, or O(6) nucleus, rather than a vibrational, or U(5) pattern for the nature of the low-lying, low-spin levels in 110Cd.

Fire resistance of wood members with directly applied protection

Treesearch

Robert H. White

2009-01-01

Fire-resistive wood construction is achieved either by having the structural elements be part of fire-rated assemblies or by using elements of sufficient size that the elements themselves have the required fire-resistance ratings. For exposed structural wood elements, the ratings in the United States are calculated using either the T.T. Lie method or the National...

An Examination of the Mixing of Low-Lying Excited 0+ States in 116Sn

NASA Astrophysics Data System (ADS)

Pore, Jennifer Louise

The even-even tin isotopes are known to exhibit shape coexistence, the phenomenon where multiple shapes coexist in a narrow energy region at relatively lowlying levels of the nucleus. These nuclei have a 0+ spherical ground state and multiple excited 0+ states, one of which is a band head for a deformed rotational band, caused by the promotion of two protons across the Z=50 shell gap. Experimental and theoretical investigations have been performed on 116Sn to describe the nature of the mixing that occurs between the vibrational phonon levels and the deformed rotational band by probing the character of the excited 0+ states. At the time it was thought that the 0+ states showed almost equal mixing of rotational and vibrational character, but this result was based on an indirect observation and fit of the intensity of a weak 85 keV transition. The current work, a high-statistics 116Sn measurement, demonstrates unequal mixing of character between the two excited 0+ states based on a direct measurement of the intensity of the 85 keV transition. These new results might prompt a new interpretation of the structure of 116Sn. The experiment to investigate the low-lying structure of 116Sn was conducted at TRIUMF, Canada's National Laboratory for Nuclear and Particle Physics. A highintensity and high-purity beam of 116In was used to populate states in 116Sn via beta decay. The resulting gamma rays were observed with the 8th detector array, which consists of twenty high-purity Compton-suppressed germanium detectors coupled to a suite of ancillary detectors for beta particle detection and conversion electron spectroscopy. From this high-statistics measurement 57 gamma-ray transitions were observed, with 4 new transitions that depopulate the 3096 keV level observed for the first time with energies of 101 keV, 296 keV, 447 keV, and 871 keV. Branching ratios were determined for all of the observed transitions. For the 57 transitions observed, a relative intensity had not been reported for 17 of them, and a branching ratio had not been reported for 12 of them. Transition rates were determined for 25 transitions that depopulate levels with previously reported lifetimes, and 2 of these transition rates had not been previously observed.

Investigations of Spectroscopic Factors and Sum Rules from the Single Neutron Transfer Reaction 111Cd(overrightarrow {{d}} ,p)112Cd

NASA Astrophysics Data System (ADS)

Jamieson, D. S.; Garrett, P. E.; Ball, G. C.; Demand, G. A.; Faestermann, T.; Finlay, P.; Green, K. L.; Hertenberger, R.; Krücken, R.; Leach, K. G.; Phillips, A. A.; Sumithrarachchi, C. S.; Triambak, S.; Wirth, H.-F.

2014-03-01

Cadmium isotopes have been presented for decades as excellent examples of vibrational nuclei, with low-lying levels interpreted as multi-phonon quadrupole, octupole, and mixed-symmetry states. A large amount of spectroscopic data has been obtained through various experimental studies of cadmiumisotopes. In the present work, the 111Cd(overrightarrow {{d}} ,p)112Cd reaction was used to investigate the single-particle structure of the 112Cd nucleus. A 22 MeV beam of polarized deuterons was obtained at the Maier-Leibnitz laboratory in Garching, Germany. The reaction ejectiles were momentum analyzed using a Q3D spectrograph, and 130 levels have been identified up to 4.2 MeV of excitation energy. Using DWBA analysis with optical model calculations, spin-parity assignments have been made for observed levels, and spectroscopic factors have been extracted from the experimental angular distributions of differential cross section and analyzing power. In this high energy resolution investigation, many additional levels have been observed compared with the previous (d,p) study using 8 MeV deuterons [1]. There were a total of 44 new levels observed, and the parity assignments of 34 levels were improved.

Effect of core body temperature, time of day, and climate conditions on behavioral patterns of lactating dairy cows experiencing mild to moderate heat stress.

PubMed

Allen, J D; Hall, L W; Collier, R J; Smith, J F

2015-01-01

Cattle show several responses to heat load, including spending more time standing. Little is known about what benefit this may provide for the animals. Data from 3 separate cooling management trials were analyzed to investigate the relationship between behavioral patterns in lactating dairy cows experiencing mild to moderate heat stress and their body temperature. Cows (n=157) were each fitted with a leg data logger that measured position and an intravaginal data logger that measures core body temperature (CBT). Ambient conditions were also collected. All data were standardized to 5-min intervals, and information was divided into several categories: when standing and lying bouts were initiated and the continuance of each bout (7,963 lying and 6,276 standing bouts). In one location, cows were continuously subjected to heat-stress levels according to temperature-humidity index (THI) range (THI≥72). The THI range for the other 2 locations was below and above a heat-stress threshold of 72 THI. Overall and regardless of period of day, cows stood up at greater CBT compared with continuing to stand or switching to a lying position. In contrast, cows lay down at lower CBT compared with continuing to lie or switching to a standing position, and lying bouts lasted longer when cows had lower CBT. Standing bouts also lasted longer when cattle had greater CBT, and they were less likely to lie down (less than 50% of lying bouts initiated) when their body temperature was over 38.8°C. Also, cow standing behavior was affected once THI reached 68. Increasing CBT decreased lying duration and increased standing duration. A CBT of 38.93°C marked a 50% likelihood a cow would be standing. This is the first physiological evidence that standing may help cool cows and provides insight into a communally observed behavioral response to heat. Copyright © 2015 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Analysis on singular spaces: Lie manifolds and operator algebras

NASA Astrophysics Data System (ADS)

Nistor, Victor

2016-07-01

We discuss and develop some connections between analysis on singular spaces and operator algebras, as presented in my sequence of four lectures at the conference Noncommutative geometry and applications, Frascati, Italy, June 16-21, 2014. Therefore this paper is mostly a survey paper, but the presentation is new, and there are included some new results as well. In particular, Sections 3 and 4 provide a complete short introduction to analysis on noncompact manifolds that is geared towards a class of manifolds-called ;Lie manifolds; -that often appears in practice. Our interest in Lie manifolds is due to the fact that they provide the link between analysis on singular spaces and operator algebras. The groupoids integrating Lie manifolds play an important background role in establishing this link because they provide operator algebras whose structure is often well understood. The initial motivation for the work surveyed here-work that spans over close to two decades-was to develop the index theory of stratified singular spaces. Meanwhile, several other applications have emerged as well, including applications to Partial Differential Equations and Numerical Methods. These will be mentioned only briefly, however, due to the lack of space. Instead, we shall concentrate on the applications to Index theory.

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

Mishev, S., E-mail: mishev@theor.jinr.ru; Voronov, V. V., E-mail: voronov@theor.jinr.ru

The role of the nucleon correlations in the ground states of even–even nuclei on the properties of low-lying states in odd–even spherical and transitional nuclei is studied. We reason about this subject using the language of the quasiparticle–phonon model which we extend to take account of the existence of quasiparticle⊗phonon configurations in the wave functions of the ground states of the even–even cores. Of paramount importance to the structure of the low-lying states happens to be the quasiparticle–phonon interaction in the ground states which we evaluated using both the standard and the extended random phase approximations. Numerical calculations for nucleimore » in the barium and cadmium regions are performed using pairing and quadrupole–quadrupole interaction modes which have the dominant impact on the lowest-lying states’ structure. It is found that states with same angular momentum and parity become closer in energy as compared to the predictions of models disregarding the backward amplitudes, which turns out to be in accord with the experimental data. In addition we found that the interaction between the last quasiparticle and the ground-state phonon admixtures produces configurations which contribute significantly to the magnetic dipolemoment of odd-A nuclei. It also reveals a potential for reproducing their experimental values which proves impossible if this interaction is neglected.« less

Identification of the one-quadrupole phonon 2 1 , m s + state of 204Hg

DOE PAGES

Stegmann, R.; Stahl, C.; Rainovski, G.; ...

2017-04-19

One-phonon states of vibrational nuclei with mixed proton–neutron symmetry have been observed throughout the nuclear chart besides the mass A ≈ 200 region. Very recently, it has been proposed that the 2 + 2 state of 212Po is of isovector nature. This nucleus has two valence protons and two valence neutrons outside the doubly-magic 208Pb nucleus. The stable isotope 204Hg, featuring two valence-proton and valence-neutron holes, with respect to 208Pb, is the particle-hole mirror of 212Po. In order to compare the properties of low-lying isovector excitations in these particle-hole mirror nuclei, we have studied 204Hg by using the projectile Coulomb-excitationmore » technique. The measured absolute B( M1;2 + 2 → 2 + 1) strength of 0.20 (2) μ 2 N indicates that the 2 + 2 level of 204Hg is at least the main fragment of the 2 + 1,ms state. For the first time in this mass region, both lowest-lying, one-quadrupole phonon excitations are established together with the complete set of their decay strengths. In conclusion, this allows for a microscopic description of their structures, achieved in the framework of the Quasi-particle Phonon Model.« less

Seasonal fluctuation in the neuronal classes of parahippocampal area of P. krameri (Scopoli, 1769) and E. scolopaceus (Linnaeus, 1758).

PubMed

Srivastava, U C; Singh, S; Singh, D

2012-10-08

Hippocampus in birds is a relatively narrow, curved strip of tissue that lies on the dorsomedial surface of telencephalon. It is widest dorsally at the junction with parahippocampal area, and it tapers with septum. Parahippocampal area (APH), the most prominent field of hippocampus is a long structure that lies at the most rostral level and continues upto caudal extent. It has been indicated by behavioral studies that hippocampus in birds plays an important role in process of learning, memory formation, food storage and spatial navigation. The present study enlightens some interesting fluctuations occurring in the neuronal classes of parahippocampal area of two seasonally breeding birds viz. P. krameri and E. scolopaceus in terms of dendritic thickness, spine density and spine morphology during breeding and non-breeding time period of birds. The Golgi-impregnated sections were used to study these fluctuations and it was noticed that there was a significant increase in dendritic thickness, spine density, spine length and spine head diameter during breeding as compared to non-breeding period. The results obtained were comparable in two different seasonally breeding birds, supporting the view that avian parahippocampal area shows neuroanatomical plasticity associated with breeding and non-breeding period because of variations in endocrinology.

Existence of a new emitting singlet state of proflavine: femtosecond dynamics of the excited state processes and quantum chemical studies in different solvents.

PubMed

Kumar, Karuppannan Senthil; Selvaraju, Chellappan; Malar, Ezekiel Joy Padma; Natarajan, Paramasivam

2012-01-12

Proflavine (3,6-diaminoacridine) shows fluorescence emission with lifetime, 4.6 ± 0.2 ns, in all the solvents irrespective of the solvent polarity. To understand this unusual photophysical property, investigations were carried out using steady state and time-resolved fluorescence spectroscopy in the pico- and femtosecond time domain. Molecular geometries in the ground and low-lying excited states of proflavine were examined by complete structural optimization using ab initio quantum chemical computations at HF/6-311++G** and CIS/6-311++G** levels. Time dependent density functional theory (TDDFT) calculations were performed to study the excitation energies in the low-lying excited states. The steady state absorption and emission spectral details of proflavine are found to be influenced by solvents. The femtosecond fluorescence decay of the proflavine in all the solvents follows triexponential function with two ultrafast decay components (τ(1) and τ(2)) in addition to the nanosecond component. The ultrafast decay component, τ(1), is attributed to the solvation dynamics of the particular solvent used. The second ultrafast decay component, τ(2), is found to vary from 50 to 215 ps depending upon the solvent. The amplitudes of the ultrafast decay components vary with the wavelength and show time dependent spectral shift in the emission maximum. The observation is interpreted that the time dependent spectral shift is not only due to solvation dynamics but also due to the existence of more than one emitting state of proflavine in the solvent used. Time resolved area normalized emission spectral (TRANES) analysis shows an isoemissive point, indicating the presence of two emitting states in homogeneous solution. Detailed femtosecond fluorescence decay analysis allows us to isolate the two independent emitting components of the close lying singlet states. The CIS and TDDFT calculations also support the existence of the close lying emitting states. The near constant lifetime observed for proflavine in different solvents is suggested to be due to the similar dipole moments of the ground and the evolved emitting singlet state of the dye from the Franck-Condon excited state.

Nuclear Data Sheets for A = 70

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

Gürdal, G.; McCutchan, E. A.

2016-09-01

We evaluated spectroscopic data for all nuclei with mass number A = 70, and the corresponding level schemes from radioactive decay and reaction studies are presented. Since the previous evaluation, the half-life of 70Mn has been measured and excited states in 70Fe observed for the first time. Furthermore we studied the excited states in 70Ni extensively while Coulomb excitation and collinear laser spectroscopy measurements in 70Cu have allowed for firm Jπ assignments. Despite new measurements, there remain some discrepancies in half-lives of low lying states in 70Zn. New measurements have extended the knowledge of high-spin band structures in 70Ge andmore » 70As. Our evaluation supersedes the prior A = 70 evaluation of 2004Tu09.« less

The Portland Basin: A (big) river runs through it

USGS Publications Warehouse

Evarts, Russell C.; O'Connor, Jim E.; Wells, Ray E.; Madin, Ian P.

2009-01-01

Metropolitan Portland, Oregon, USA, lies within a small Neogene to Holocene basin in the forearc of the Cascadia subduction system. Although the basin owes its existence and structural development to its convergent-margin tectonic setting, the stratigraphic architecture of basin-fill deposits chiefly reflects its physiographic position along the lower reaches of the continental-scale Columbia River system. As a result of this globally unique setting, the basin preserves a complex record of aggradation and incision in response to distant as well as local tectonic, volcanic, and climatic events. Voluminous flood basalts, continental and locally derived sediment and volcanic debris, and catastrophic flood deposits all accumulated in an area influenced by contemporaneous tectonic deformation and variations in regional and local base level.

Hydrogenated and halogenated blue phosphorene as Dirac materials: A first principles study

NASA Astrophysics Data System (ADS)

Sun, Minglei; Wang, Sake; Yu, Jin; Tang, Wencheng

2017-01-01

Using first-principles calculations, we systematically investigate the structures and electronic properties of fully hydrogenated and halogenated blue phosphorene (P2X2). All these systems possess Dirac cone at high-symmetry K point, which are mainly contributed by P s px py orbitals. The Dirac cone in P2F2 and P2I2 systems lies exactly at the Fermi level. Formation energy analysis denotes that all the systems are energetically stable except P2I2. The mass density for P2H2 and P2F2 systems is rather small. Our calculations proposed that these systems, especially P2F2 system, have great potential applications in future nanoelectronics.

Systematics of ground state multiplets of atomic nuclei in the delta-interaction approach

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

Imasheva, L. T.; Ishkhanov, B. S.; Stepanov, M. E., E-mail: stepanov@depni.sinp.msu.ru

2015-12-15

Pairing forces between nucleons in an atomic nucleus strongly influence its structure. One of the manifestations of pair interaction is the ground state multiplet (GSM) formation in the spectrum of low-lying excited states of even–even nuclei. The value of GSM splitting is determined by the value of pair interaction of nucleons; for each isotope, it can be estimated on the basis of experimental nuclear masses. The quality of this estimate is characterized by the degree of reproduction of GSM levels in the nucleus. The GSM systematics in even–even nuclei with a pair of identical nucleons in addition to the filledmore » nuclear core is considered on the basis of delta interaction.« less

High-Resolution Mapping of a Repeat Protein Folding Free Energy Landscape.

PubMed

Fossat, Martin J; Dao, Thuy P; Jenkins, Kelly; Dellarole, Mariano; Yang, Yinshan; McCallum, Scott A; Garcia, Angel E; Barrick, Doug; Roumestand, Christian; Royer, Catherine A

2016-12-06

A complete description of the pathways and mechanisms of protein folding requires a detailed structural and energetic characterization of the conformational ensemble along the entire folding reaction coordinate. Simulations can provide this level of insight for small proteins. In contrast, with the exception of hydrogen exchange, which does not monitor folding directly, experimental studies of protein folding have not yielded such structural and energetic detail. NMR can provide residue specific atomic level structural information, but its implementation in protein folding studies using chemical or temperature perturbation is problematic. Here we present a highly detailed structural and energetic map of the entire folding landscape of the leucine-rich repeat protein, pp32 (Anp32), obtained by combining pressure-dependent site-specific 1 H- 15 N HSQC data with coarse-grained molecular dynamics simulations. The results obtained using this equilibrium approach demonstrate that the main barrier to folding of pp32 is quite broad and lies near the unfolded state, with structure apparent only in the C-terminal region. Significant deviation from two-state unfolding under pressure reveals an intermediate on the folded side of the main barrier in which the N-terminal region is disordered. A nonlinear temperature dependence of the population of this intermediate suggests a large heat capacity change associated with its formation. The combination of pressure, which favors the population of folding intermediates relative to chemical denaturants; NMR, which allows their observation; and constrained structure-based simulations yield unparalleled insight into protein folding mechanisms. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

The measurement of cyberbullying: dimensional structure and relative item severity and discrimination.

PubMed

Menesini, Ersilia; Nocentini, Annalaura; Calussi, Pamela

2011-05-01

In relation to a sample of 1,092 Italian adolescents (50.9% females), the present study aims to: (a) analyze the most parsimonious structure of the cyberbullying and cybervictimization construct in male and female Italian adolescents through confirmatory factor analysis; and (b) analyze the severity and the discrimination parameters of each act using the item response theory. Results showed that the structure of the cyberbullying scale for perpetrated and received behaviors in both genders could best be represented by a monodimensional model where each item lies on a continuum of severity of aggressive acts. For both genders, the less severe acts are silent/prank calls and insults on instant messaging, and the most severe acts are unpleasant pictures/photos on Web sites, phone pictures/photos/videos of intimate scenes, and phone pictures/photos/videos of violent scenes. The items nasty text messages, nasty or rude e-mails, insults on Web sites, insults in chatrooms, and insults on blogs range from moderate to high levels of severity. Regarding the discrimination level of the acts, several items emerged as good indicators at various levels of cyberbullying and cybervictimization severity, with the exception of silent/prank calls. Furthermore, gender specificities underlined that the visual items can be considered good indicators of severe cyberbullies and cybervictims only in males. This information can help in understanding better the nature of the phenomenon, its severity in a given population, and to plan more specific prevention and intervention strategies.

Analysis of Compound Water Hazard in Coastal Urbanized Areas under the Future Climate

NASA Astrophysics Data System (ADS)

Shibuo, Y.; Taniguchi, K.; Sanuki, H.; Yoshimura, K.; Lee, S.; Tajima, Y.; Koike, T.; Furumai, H.; Sato, S.

2017-12-01

Several studies indicate the increased frequency and magnitude of heavy rainfalls as well as the sea level rise under the future climate, which implies that coastal low-lying urbanized areas may experience increased risk against flooding. In such areas, where river discharge, tidal fluctuation, and city drainage networks altogether influence urban inundation, it is necessary to consider their potential interference to understand the effect of compound water hazard. For instance, pump stations cannot pump out storm water when the river water level is high, and in the meantime the river water level shall increase when it receives pumped water from cities. At the further downstream, as the tidal fluctuation regulates the water levels in the river, it will also affect the functionality of pump stations and possible inundation from rivers. In this study, we estimate compound water hazard in the coastal low-lying urbanized areas of the Tsurumi river basin under the future climate. We developed the seamlessly integrated river, sewerage, and coastal hydraulic model that can simulate river water levels, water flow in sewerage network, and inundation from the rivers and/or the coast to address the potential interference issue. As a forcing, the pseudo global warming method, which applies the changes in GCM anomaly to re-analysis data, is employed to produce ensemble typhoons to drive the seamlessly integrated model. The results show that heavy rainfalls caused by the observed typhoon generally become stronger under the pseudo global climate condition. It also suggests that the coastal low-lying areas become extensively inundated if the onset of river flooding and storm surge coincides.

A meeting of the waters: interdisciplinary challenges and opportunities in tidal rivers

USGS Publications Warehouse

Ensign, Scott H.; Noe, Gregory B.; Hupp, Cliff R.; Fagherazzi, Sergio

2012-01-01

At the interface of estuarine tides and freshwater rivers lie wetland and aquatic ecosystems, which experience dramatic effects of sea level rise. There, nontidal channels and riparian floodplains are transforming into tidal ecosystems, and tidal freshwater ecosystems are receiving increasing salinity. These river-floodplain systems have both fluvial characteristics, including meandering channels and expansive floodplain forests, and estuarine characteristics, including tides and intertidal wetlands [see Barendregt et al., 2009; Conner et al., 2007, and references therein]. Because tidal rivers lie at the disciplinary divide between fluvial and estuarine science, a knowledge gap has developed in scientists' understanding of the geomorphic and biogeochemical response of these environments to sea level rise, climate change, and anthropogenically driven variations in watershed exports.

Two-photon excitation cross-section in light and intermediate atoms

NASA Technical Reports Server (NTRS)

Omidvar, K.

1980-01-01

The method of explicit summation over the intermediate states is used along with LS coupling to derive an expression for two-photon absorption cross section in light and intermediate atoms in terms of integrals over radial wave functions. Two selection rules, one exact and one approximate, are also derived. In evaluating the radial integrals, for low-lying levels, the Hartree-Fock wave functions, and for high-lying levels, hydrogenic wave functions obtained by the quantum defect method are used. A relationship between the cross section and the oscillator strengths is derived. Cross sections due to selected transitions in nitrogen, oxygen, and chlorine are given. The expression for the cross section is useful in calculating the two-photon absorption in light and intermediate atoms.

Two-photon excitation cross section in light and intermediate atoms in frozen-core LS-coupling approximation

NASA Technical Reports Server (NTRS)

Omidvar, K.

1980-01-01

Using the method of explicit summation over the intermediate states two-photon absorption cross sections in light and intermediate atoms based on the simplistic frozen-core approximation and LS coupling have been formulated. Formulas for the cross section in terms of integrals over radial wave functions are given. Two selection rules, one exact and one approximate, valid within the stated approximations are derived. The formulas are applied to two-photon absorptions in nitrogen, oxygen, and chlorine. In evaluating the radial integrals, for low-lying levels, the Hartree-Fock wave functions, and for high-lying levels, hydrogenic wave functions obtained by the quantum-defect method have been used. A relationship between the cross section and the oscillator strengths is derived.

Face-Threatening Acts and Politeness Theory: Contrasting Speeches from Supervisory Conferences.

ERIC Educational Resources Information Center

Roberts, Jo

Discourse analysis describes a level of spoken text that lies between grammar and nonlinguistic organization. Using such an approach to understand the practical problems of communication in supervisory conferences, this paper explores two dimensions of the conference: risk and politeness levels. Level of risk is determined by the degrees of…

Dissociation kinetics of metal clusters on multiple electronic states including electronic level statistics into the vibronic soup

NASA Astrophysics Data System (ADS)

Shvartsburg, Alexandre A.; Siu, K. W. Michael

2001-06-01

Modeling the delayed dissociation of clusters had been over the last decade a frontline development area in chemical physics. It is of fundamental interest how statistical kinetics methods previously validated for regular molecules and atomic nuclei may apply to clusters, as this would help to understand the transferability of statistical models for disintegration of complex systems across various classes of physical objects. From a practical perspective, accurate simulation of unimolecular decomposition is critical for the extraction of true thermochemical values from measurements on the decay of energized clusters. Metal clusters are particularly challenging because of the multitude of low-lying electronic states that are coupled to vibrations. This has previously been accounted for assuming the average electronic structure of a conducting cluster approximated by the levels of electron in a cavity. While this provides a reasonable time-averaged description, it ignores the distribution of instantaneous electronic structures in a "boiling" cluster around that average. Here we set up a new treatment that incorporates the statistical distribution of electronic levels around the average picture using random matrix theory. This approach faithfully reflects the completely chaotic "vibronic soup" nature of hot metal clusters. We found that the consideration of electronic level statistics significantly promotes electronic excitation and thus increases the magnitude of its effect. As this excitation always depresses the decay rates, the inclusion of level statistics results in slower dissociation of metal clusters.

Measurement of the 1s2s ^1S0 - 1s2p ^3P1 interval in helium-like silicon.

NASA Astrophysics Data System (ADS)

Redshaw, M.; Harry, R.; Myers, E. G.; Weatherford, C. A.

2001-05-01

Accurate calculation of the energy levels of helium-like ions is a basic problem in relativistic atomic theory. For the n=3D2 levels at moderate Z, published calculations give all ``structure'' but not all explicit QED contributions to order (Zα)^4 a.u.(D.R. Plante, W.R. Johnson and J. Sapirstein, Phys. Rev. A 49), 3519 (1994).^, (K.T. Cheng, M.H. Chen, W.R. Johnson and J. Sapirstein, Phys. Rev. A 50), 247 (1994).. Measurements of the 1s2p ^3P - 1s2s ^3S transitions, which lie in the vacuum ultra-violet, are barely precise enough to challenge the theory. However, the intercombination 1s2s ^1S0 - 1s2p ^3P1 interval lies in the infra-red for Z<40 and enables precision measurements using laser spectroscopy(E.G. Myers, J.K. Thompson, E.P. Gavathas, N.R. Claussen, J.D. Silver and D.J.H. Howie, Phys. Rev. Lett. 75), 3637 (1995).. We aim to measure this interval in Si^12+ using a foil-stripped 1 MeV/u ion beam from the Florida State Van de Graaff accelerator and a single-mode c.w. Nd:YAG laser at 1.319 μm. To obtain a sufficient transition probability, the Si^12+ beam is merged co-linearly with the laser light inside an ultra-high finesse build-up cavity. The results should provide a clear test of current and developing calculations of QED contributions in two-electron ions.

Manifestation of the structure of heavy nuclei in their alpha decays

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

Adamian, G. G., E-mail: adamian@theor.jinr.ru; Antonenko, N. V.; Bezbakh, A. N.

2016-11-15

Low-lying one- and two-quasiparticle states of heavy nuclei are predicted. Alpha-decay chains, including those that proceed through isomeric states, are examined on the basis of the predicted properties of superheavy nuclei.

Franck-Condon Simulations including Anharmonicity of the Ã(1)A''-X̃(1)A' Absorption and Single Vibronic Level Emission Spectra of HSiCl and DSiCl.

PubMed

Mok, Daniel W K; Lee, Edmond P F; Chau, Foo-Tim; Dyke, John M

2009-03-10

RCCSD(T) and/or CASSCF/MRCI calculations have been carried out on the X̃(1)A' and Ã(1)A'' states of HSiCl employing basis sets of up to the aug-cc-pV5Z quality. Contributions from core correlation and extrapolation to the complete basis set limit were included in determining the computed equilibrium geometrical parameters and relative electronic energy of these two states of HSiCl. Franck-Condon factors which include allowance for anharmonicity and Duschinsky rotation between these two states of HSiCl and DSiCl were calculated employing RCCSD(T) and CASSCF/MRCI potential energy functions, and were used to simulate the Ã(1)A'' ← X̃(1)A' absorption and Ã(1)A'' → X̃(1)A' single vibronic level (SVL) emission spectra of HSiCl and DSiCl. Simulated absorption and experimental LIF spectra, and simulated and observed Ã(1)A''(0,0,0) → X̃(1)A' SVL emission spectra, of HSiCl and DSiCl are in very good agreement. However, agreement between simulated and observed Ã(1)A''(0,1,0) → X̃(1)A' and Ã(1)A''(0,2,1) → X̃(1)A' SVL emission spectra of DSiCl is not as good. Preliminary calculations on low-lying excited states of HSiCl suggest that vibronic interaction between low-lying vibrational levels of the Ã(1)A'' state and highly excited vibrational levels of the ã(3)A'' is possible. Such vibronic interaction may change the character of the low-lying vibrational levels of the Ã(1)A'' state, which would lead to perturbation in the SVL emission spectra from these vibrational levels.

Entangled quantum electronic wavefunctions of the Mn₄CaO₅ cluster in photosystem II.

PubMed

Kurashige, Yuki; Chan, Garnet Kin-Lic; Yanai, Takeshi

2013-08-01

It is a long-standing goal to understand the reaction mechanisms of catalytic metalloenzymes at an entangled many-electron level, but this is hampered by the exponential complexity of quantum mechanics. Here, by exploiting the special structure of physical quantum states and using the density matrix renormalization group, we compute near-exact many-electron wavefunctions of the Mn4CaO5 cluster of photosystem II, with more than 1 × 10(18) quantum degrees of freedom. This is the first treatment of photosystem II beyond the single-electron picture of density functional theory. Our calculations support recent modifications to the structure determined by X-ray crystallography. We further identify multiple low-lying energy surfaces associated with the structural distortion seen using X-ray crystallography, highlighting multistate reactivity in the chemistry of the cluster. Direct determination of Mn spin-projections from our wavefunctions suggests that current candidates that have been recently distinguished using parameterized spin models should be reassessed. Through entanglement maps, we reveal rich information contained in the wavefunctions on bonding changes in the cycle.

AID-induced decrease in topoisomerase 1 induces DNA structural alteration and DNA cleavage for class switch recombination.

PubMed

Kobayashi, Maki; Aida, Masatoshi; Nagaoka, Hitoshi; Begum, Nasim A; Kitawaki, Yoko; Nakata, Mikiyo; Stanlie, Andre; Doi, Tomomitsu; Kato, Lucia; Okazaki, Il-mi; Shinkura, Reiko; Muramatsu, Masamichi; Kinoshita, Kazuo; Honjo, Tasuku

2009-12-29

To initiate class switch recombination (CSR) activation-induced cytidine deaminase (AID) induces staggered nick cleavage in the S region, which lies 5' to each Ig constant region gene and is rich in palindromic sequences. Topoisomerase 1 (Top1) controls the supercoiling of DNA by nicking, rotating, and religating one strand of DNA. Curiously, Top1 reduction or AID overexpression causes the genomic instability. Here, we report that the inactivation of Top1 by its specific inhibitor camptothecin drastically blocked both the S region cleavage and CSR, indicating that Top1 is responsible for the S region cleavage in CSR. Surprisingly, AID expression suppressed Top1 mRNA translation and reduced its protein level. In addition, the decrease in the Top1 protein by RNA-mediated knockdown augmented the AID-dependent S region cleavage, as well as CSR. Furthermore, Top1 reduction altered DNA structure of the Smu region. Taken together, AID-induced Top1 reduction alters S region DNA structure probably to non-B form, on which Top1 can introduce nicks but cannot religate, resulting in S region cleavage.

The Biological Implausibility of the Nature-Nurture Dichotomy & What It Means for the Study of Infancy.

PubMed

Lewkowicz, David J

2011-01-01

Since the time of the Greeks, philosophers and scientists have wondered about the origins of structure and function. Plato proposed that the origins of structure and function lie in the organism's nature whereas Aristotle proposed that they lie in its nurture. This nature/nurture dichotomy and the emphasis on the origins question has had a powerful effect on our thinking about development right into modern times. Despite this, empirical findings from various branches of developmental science have made a compelling case that the nature/nurture dichotomy is biologically implausible and, thus, that a search for developmental origins must be replaced by research into developmental processes. This change in focus recognizes that development is an immensely complex, dynamic, embedded, interdependent, and probabilistic process and, therefore, renders simplistic questions such as whether a particular behavioral capacity is innate or acquired scientifically uninteresting.

The Biological Implausibility of the Nature-Nurture Dichotomy & What It Means for the Study of Infancy

PubMed Central

Lewkowicz, David J.

2011-01-01

Since the time of the Greeks, philosophers and scientists have wondered about the origins of structure and function. Plato proposed that the origins of structure and function lie in the organism's nature whereas Aristotle proposed that they lie in its nurture. This nature/nurture dichotomy and the emphasis on the origins question has had a powerful effect on our thinking about development right into modern times. Despite this, empirical findings from various branches of developmental science have made a compelling case that the nature/nurture dichotomy is biologically implausible and, thus, that a search for developmental origins must be replaced by research into developmental processes. This change in focus recognizes that development is an immensely complex, dynamic, embedded, interdependent, and probabilistic process and, therefore, renders simplistic questions such as whether a particular behavioral capacity is innate or acquired scientifically uninteresting. PMID:21709807

Why Don't They Understand Us?

NASA Astrophysics Data System (ADS)

Kvasz, Ladislav

The aim of the article is to provide teachers some ideas about the development of physical knowledge and to make them more receptive to the differences between their and the students thinking. I want to show, that these differences lie not only in the richness of experience, but also in the structure of this experience. I try to point to some of these differences lying in the content, form and meaningfulness. The article is based on an adapted version of Piaget's model of the growth of physical knowledge. The model represents the changes of semantic understanding, formal language and logical structure of a theory during its historical development. I illustrate the model on the development of classical mechanics, but similar changes can be found also in the history of electrodynamics or quantum mechanics. The central idea of the paper is to use this model of the historical development of physical knowledge in analysis of the cognitive processes in physics education.

The mystery of perpendicular fivefold axes and the fourth dimension in intermetallic structures.

PubMed

Berger, Robert F; Lee, Stephen; Johnson, Jeffreys; Nebgen, Ben; Sha, Fernando; Xu, Jiaqi

2008-01-01

The structures of eight related known intermetallic structure types are the impetus to this paper: Li21Si5, Mg44Rh7, Zn13(Fe,Ni)2, Mg6Pd, Na6Tl, Zn91Ir11, Li13Na29Ba19, and Al69Ta39. All belong to the F43m space group, have roughly 400 atoms in their cubic unit cells, are built up at least partially from the gamma-brass structure, and exhibit pseudo-tenfold symmetric diffraction patterns. These pseudo-tenfold axes lie in the {110} directions, and thus present a paradox. The {110} set is comprised of three pairs of perpendicular directions. Yet no 3D point group contains a single pair of perpendicular fivefold axes (by Friedel's Law, a fivefold axis leads to a tenfold diffraction pattern). The current work seeks to resolve this paradox. Its resolution is based on the largest of all 4D Platonic solids, the 600-cell. We first review the 600-cell, building an intuition discussing 4D polyhedroids (4D polytopes). We then show that the positions of common atoms in the F43m structures lie close to the positions of vertices in a 3D projection of the 600-cell. For this purpose, we develop a projection method that we call intermediate projection. The introduction of the 600-cell resolves the above paradox. This 4D Platonic solid contains numerous orthogonal fivefold rotations. The six fivefold directions that are best preserved after projection prove to lie along the {110} directions of the F43m structures. Finally, this paper shows that at certain ideal projected cluster sizes related to one another by the golden mean (tau=(1+ radical 5)/2), constructive interference leading to tenfold diffraction patterns is optimized. It is these optimal values that predominate in actual F43m structures. Explicit comparison of experimental cluster sizes and theoretically derived cluster sizes shows a clear correspondence, both for isolated and crystalline pairs of projected 600-cells.

Weak tectono-magmatic relationships along an obliquely convergent plate boundary: Sumatra, Indonesia

NASA Astrophysics Data System (ADS)

Acocella, Valerio; Bellier, Olivier; Sandri, Laura; Sébrier, Michel; Pramumijoyo, Subagyo

2018-02-01

The tectono-magmatic relationships along obliquely convergent plate boundaries, where strain partitioning promotes strike-slip structures along the volcanic arc, are poorly known. Here it is unclear if and, in case, how the strike-slip structures control volcanic processes, distribution and size. To better define the possible tectono-magmatic relationships along strike-slip arcs, we merge available information on the case study of Sumatra (Indonesia) with field structural data. The Sumatra arc (entire volcanic belt) consists of 48 active volcanoes. Of these, 46% lie within 10 km from the dextral Great Sumatra Fault (GSF), which carries most horizontal displacement on the overriding plate, whereas 27% lie at >20 km from the GSF. Among the volcanoes at <10 km from GSF, 48% show a possible structural relation to the GSF, whereas only 28% show a clear structural relation, lying in pull-aparts or releasing bends; these localized areas of transtension (local extensional zone) do not develop magmatic segments. There is no relation between the GSF along-strike slip rate variations and the volcanic productivity. The preferred N30°-N40°E volcano alignment and elongation are subparallel to the convergence vector or to the GSF. The structural field data, collected in the central and southern GSF, show, in addition to the dextral motions along NW-SE to N-S striking faults, also normal motions (extending WNW-ESE or NE-SW), suggesting local reactivations of the GSF. Overall, the collected data suggest a limited tectonic control on arc volcanism. The tectonic control is mostly expressed by the mean depth of the slab surface below the volcanoes (130±20 km) and, subordinately, local extension along the GSF. The latter, when WNW-ESE oriented (more common), may be associated with the overall tectonic convergence, as suggested by the structural data; conversely, when NE-SW oriented (less common), the extension may result from co- and post-seismic arc normal extension, as supported by the 2004 mega-earthquake measurements. Overall, the strike-slip arc of Sumatra has intermediate features between those of extensional and contractional arcs.

Magic bases, metric ansaetze and generalized graph theories in the Virasoro master equation

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

Halpern, M.B.; Obers, N.A.

1991-11-15

The authors define a class of magic Lie group bases in which the Virasoro master equation admits a class of simple metric ansaetze (g{sub metric}), whose structure is visible in the high-level expansion. When a magic basis is real on compact g, the corresponding g{sub metric} is a large system of unitary, generically irrational conformal field theories. Examples in this class include the graph-theory ansatz SO(n){sub diag} in the Cartesian basis of So(n) and the ansatz SU(n){sub metric} in the Pauli-like basis of SU(n). A new phenomenon is observed in the high-level comparison of SU(n){sub metric}: Due to the trigonometricmore » structure constants of the Pauli-like basis, irrational central charge is clearly visible at finite order of the expansion. They also define the sine-area graphs of SU(n), which label the conformal field theories of SU(n){sub metric} and note that, in a similar fashion, each magic basis of g defines a generalize graph theory on g which labels the conformal field theories of g{sub metric}.« less

Organic heterojunctions: Contact-induced molecular reorientation, interface states, and charge re-distribution

PubMed Central

Opitz, Andreas; Wilke, Andreas; Amsalem, Patrick; Oehzelt, Martin; Blum, Ralf-Peter; Rabe, Jürgen P.; Mizokuro, Toshiko; Hörmann, Ulrich; Hansson, Rickard; Moons, Ellen; Koch, Norbert

2016-01-01

We reveal the rather complex interplay of contact-induced re-orientation and interfacial electronic structure – in the presence of Fermi-level pinning – at prototypical molecular heterojunctions comprising copper phthalocyanine (H16CuPc) and its perfluorinated analogue (F16CuPc), by employing ultraviolet photoelectron and X-ray absorption spectroscopy. For both layer sequences, we find that Fermi-level (EF) pinning of the first layer on the conductive polymer substrate modifies the work function encountered by the second layer such that it also becomes EF-pinned, however, at the interface towards the first molecular layer. This results in a charge transfer accompanied by a sheet charge density at the organic/organic interface. While molecules in the bulk of the films exhibit upright orientation, contact formation at the heterojunction results in an interfacial bilayer with lying and co-facial orientation. This interfacial layer is not EF-pinned, but provides for an additional density of states at the interface that is not present in the bulk. With reliable knowledge of the organic heterojunction’s electronic structure we can explain the poor performance of these in photovoltaic cells as well as their valuable function as charge generation layer in electronic devices. PMID:26887445

Frankly, We Do Give a Damn

PubMed Central

Lian, Huiwen; Kosinski, Michal; Stillwell, David

2017-01-01

There are two conflicting perspectives regarding the relationship between profanity and dishonesty. These two forms of norm-violating behavior share common causes and are often considered to be positively related. On the other hand, however, profanity is often used to express one’s genuine feelings and could therefore be negatively related to dishonesty. In three studies, we explored the relationship between profanity and honesty. We examined profanity and honesty first with profanity behavior and lying on a scale in the lab (Study 1; N = 276), then with a linguistic analysis of real-life social interactions on Facebook (Study 2; N = 73,789), and finally with profanity and integrity indexes for the aggregate level of U.S. states (Study 3; N = 50 states). We found a consistent positive relationship between profanity and honesty; profanity was associated with less lying and deception at the individual level and with higher integrity at the society level. PMID:29187959

Oxidative Stress, Bone Marrow Failure, and Genome Instability in Hematopoietic Stem Cells

PubMed Central

Richardson, Christine; Yan, Shan; Vestal, C. Greer

2015-01-01

Reactive oxygen species (ROS) can be generated by defective endogenous reduction of oxygen by cellular enzymes or in the mitochondrial respiratory pathway, as well as by exogenous exposure to UV or environmental damaging agents. Regulation of intracellular ROS levels is critical since increases above normal concentrations lead to oxidative stress and DNA damage. A growing body of evidence indicates that the inability to regulate high levels of ROS leading to alteration of cellular homeostasis or defective repair of ROS-induced damage lies at the root of diseases characterized by both neurodegeneration and bone marrow failure as well as cancer. That these diseases may be reflective of the dynamic ability of cells to respond to ROS through developmental stages and aging lies in the similarities between phenotypes at the cellular level. This review summarizes work linking the ability to regulate intracellular ROS to the hematopoietic stem cell phenotype, aging, and disease. PMID:25622253

Orientation-dependent energy level alignment and film growth of 2,7-diocty[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on HOPG

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

Lyu, Lu; Niu, Dongmei, E-mail: mayee@csu.edu.cnmailto; Xie, Haipeng

Combining ultraviolet photoemission spectroscopy, X-ray photoemission spectroscopy, atomic force microscopy, and X-ray diffraction measurements, we performed a systematic investigation on the correlation of energy level alignment, film growth, and molecular orientation of 2,7-diocty[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on highly oriented pyrolytic graphite. The molecules lie down in the first layer and then stand up from the second layer. The ionization potential shows a sharp decrease from the lying down region to the standing up region. When C8-BTBT molecules start standing up, unconventional energy level band-bending-like shifts are observed as the film thickness increases. These shifts are ascribed to gradual decreasing of the molecularmore » tilt angle about the substrate normal with the increasing film thickness.« less

Time-dependent interaction between a two-level atom and a su(1,1) Lie algebra quantum system

NASA Astrophysics Data System (ADS)

Abdalla, M. Sebaweh; Khalil, E. M.; Obada, A.-S. F.

2017-06-01

The problem of the interaction between a two-level atom and a two-mode field in the parametric amplifier-type is considered. A similar problem appears in an ion trapped in a two-dimensional trap. The problem is transformed into an interaction governed by su(1,1) Lie algebraic operators with phase and coupling parameter depending on time. Under an integrability condition, that relates phase and coupling, a solution to the wavefunction is obtained using the Schrödinger equation. The effects of the functional dependence of the coupling and the initial state of the two-level atom on atomic inversion, the degree of entanglement, the fidelity and the Glauber second-order correlation function are investigated. It is shown that the acceleration term plays an important role in controlling the function behavior of the considered quantities.

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

Goreau, T.J.; Hilbertz, W.

Electrolysis of seawater is used to precipitate limestone on top of underwater steel structures to create growing artificial reefs to enhance coral growth, restore coral reef habitat, provide shelter for fish, shellfish, and other marine organisms, generate white sand for beach replenishment, and protect shore lines from wave erosion. Films and slides will be shown of existing structures in Jamaica, Panama, and the Maldives, and projects being developed in these and other locations will be evaluated. The method is unique because it creates the only artificial reef structures that generate the natural limestone substrate from which corals and coral reefsmore » are composed, speeding the settlement and growth of calcareous organisms, and attracting the full range of other reef organisms. The structures are self-repairing and grow stronger with age. Power sources utilized include batteries, battery chargers, photovoltaic panels, and windmills. The cost of seawalls and breakwaters produced by this method is less than one tenth that of conventional technology. Because the technology is readily scaled up to build breakwaters and artificial islands able to keep pace with rising sea level it is capable of playing an important role in protecting low lying coastal areas from the effects of global climate change.« less

DSSTOX: NEW ON-LINE RESOURCE FOR PUBLISHING AND INTEGRATING STANDARDIZED STRUCTURE-INCLUSIVE TOXICITY DATABASES

EPA Science Inventory

DSSTox: New On-line Resource for Publishing Structure-Standardized Toxicity Databases

Ann M Richard1, Jamie Burch2, ClarLynda Williams3
1Nat. Health and Environ. Effects Res. Lb, US EP& Ret Triangle Park, NC 27711; 2EPA-NC
Central Univ Student COOP, US EPA, lies. Tri...

Crystalline boron nitride aerogels

DOEpatents

Zettl, Alexander K.; Rousseas, Michael; Goldstein, Anna P.; Mickelson, William; Worsley, Marcus A.; Woo, Leta

2017-04-04

This disclosure provides methods and materials related to boron nitride aerogels. In one aspect, a material comprises an aerogel comprising boron nitride. The boron nitride has an ordered crystalline structure. The ordered crystalline structure may include atomic layers of hexagonal boron nitride lying on top of one another, with atoms contained in a first layer being superimposed on atoms contained in a second layer.

Large-scale configuration interaction description of the structure of nuclei around 100Sn and 208Pb

NASA Astrophysics Data System (ADS)

Qi, Chong

2016-08-01

In this contribution I would like to discuss briefly the recent developments of the nuclear configuration interaction shell model approach. As examples, we apply the model to calculate the structure and decay properties of low-lying states in neutron-deficient nuclei around 100Sn and 208Pb that are of great experimental and theoretical interests.

On Discipline: The Products and Process.

ERIC Educational Resources Information Center

Frasher, James

1982-01-01

One explanation for unexpectedly low stress levels among assistant principals may lie in "administrative attribution theory." The demand for school discipline by the public, school boards, teachers, and students should induce high levels of stress in assistant principals, because they are usually responsible for discipline enforcement,…

Single crystal EPR study at 95 GHz of a large Fe based molecular nanomagnet: toward the structuring of magnetic nanoparticle properties.

PubMed

Castelli, L; Fittipaldi, M; Powell, A K; Gatteschi, D; Sorace, L

2011-08-28

A W-band single-crystal EPR study has been performed on a molecular cluster comprising 19 iron(III) ions bridged by oxo- hydroxide ions, Fe(19), in order to investigate magnetic nanosystems with a behavior in between the one of Magnetic NanoParticles (MNP) and that of Single Molecule Magnets (SMM). The Fe(19) has a disk-like shape: a planar Fe(7) core with a brucite (Mg(OH)(2)) structure enclosed in a "shell" of 12 Fe(III) ions. EPR and magnetic measurements revealed an S = 35/2 ground state with an S = 33/2 excited state lying ∼ 8 K above. The presence of other low-lying excited states was also envisaged. Rhombic Zero Field Splitting (ZFS) tensors were determined, the easy axes lying in the Fe(19) plane for both the multiplets. At particular temperatures and orientations, a partially resolved fine structure could be observed which could not be distinguished in powder spectra, due to orientation disorder. The similarities of the EPR behavior of Fe(19) and MNP, together with the accuracy of single crystal analysis, helped to shed light on spectral features observed in MNP spectra, that is a sharp line at g = 2 and a low intensity transition at g = 4. Moreover, a theoretical analysis has been used to estimate the contribution to the total magnetic anisotropy of core and surface; this latter is crucial in determining the easy axis-type anisotropy, alike that of MNP surface. This journal is © The Royal Society of Chemistry 2011

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

Cheung, Gavin K. C.; Thomas, Christopher E.; Dudek, Jozef J.

We present a general class of operators resembling compact tetraquarks which have a range of colour-flavour-spin structures, transform irreducibly under the symmetries of the lattice and respect other relevant symmetries. These constructions are demonstrated in lattice QCD calculations with light quarks corresponding to m π = 391 MeV. Using the distillation framework, correlation functions involving large bases of meson-meson and tetraquark operators are computed in the isospin-1 hidden-charm and doubly-charmed sectors, and finite-volume spectra are extracted with the variational method. We find the spectra are insensitive to the addition of tetraquark operators to the bases of meson-meson operators. For themore » first time, through using diverse bases of meson-meson operators, the multiple energy levels associated with meson-meson levels which would be degenerate in the non-interacting limit are extracted reliably. The number of energy levels in each spectrum is found to be equal to the number of expected non-interacting meson-meson levels in the energy region considered and the majority of energies lie close to the non-interacting levels. Furthermore, there is no strong indication for any bound state or narrow resonance in the channels we study.« less

Tetraquark operators in lattice QCD and exotic flavour states in the charm sector

DOE PAGES

Cheung, Gavin K. C.; Thomas, Christopher E.; Dudek, Jozef J.; ...

2017-11-08

We present a general class of operators resembling compact tetraquarks which have a range of colour-flavour-spin structures, transform irreducibly under the symmetries of the lattice and respect other relevant symmetries. These constructions are demonstrated in lattice QCD calculations with light quarks corresponding to m π = 391 MeV. Using the distillation framework, correlation functions involving large bases of meson-meson and tetraquark operators are computed in the isospin-1 hidden-charm and doubly-charmed sectors, and finite-volume spectra are extracted with the variational method. We find the spectra are insensitive to the addition of tetraquark operators to the bases of meson-meson operators. For themore » first time, through using diverse bases of meson-meson operators, the multiple energy levels associated with meson-meson levels which would be degenerate in the non-interacting limit are extracted reliably. The number of energy levels in each spectrum is found to be equal to the number of expected non-interacting meson-meson levels in the energy region considered and the majority of energies lie close to the non-interacting levels. Furthermore, there is no strong indication for any bound state or narrow resonance in the channels we study.« less

Tetraquark operators in lattice QCD and exotic flavour states in the charm sector

NASA Astrophysics Data System (ADS)

Cheung, Gavin K. C.; Thomas, Christopher E.; Dudek, Jozef J.; Edwards, Robert G.

2017-11-01

We present a general class of operators resembling compact tetraquarks which have a range of colour-flavour-spin structures, transform irreducibly under the symmetries of the lattice and respect other relevant symmetries. These constructions are demonstrated in lattice QCD calculations with light quarks corresponding to m π = 391 MeV. Using the distillation framework, correlation functions involving large bases of meson-meson and tetraquark operators are computed in the isospin-1 hidden-charm and doubly-charmed sectors, and finite-volume spectra are extracted with the variational method. We find the spectra are insensitive to the addition of tetraquark operators to the bases of meson-meson operators. For the first time, through using diverse bases of meson-meson operators, the multiple energy levels associated with meson-meson levels which would be degenerate in the non-interacting limit are extracted reliably. The number of energy levels in each spectrum is found to be equal to the number of expected non-interacting meson-meson levels in the energy region considered and the majority of energies lie close to the non-interacting levels. Therefore, there is no strong indication for any bound state or narrow resonance in the channels we study.

Synthesis, structure, computational and in-silico anticancer studies of N,N-diethyl-N‧-palmitoylthiourea

NASA Astrophysics Data System (ADS)

Asegbeloyin, Jonnie Niyi; Oyeka, Ebube Evaristus; Okpareke, Obinna; Ibezim, Akachukwu

2018-02-01

A new potential ONS donor ligand N,N-diethyl-N‧-palmitoylthiourea (PACDEA) with the molecular formular C21H42N2OS has been synthesized and characterized by ESI-MS, UV, FTIR 1H and 13C NMR spectroscopy and single X-ray crystallography. The asymmetric molecules crystallized in the centrosymmetric structure of monoclinic crystal system with space group P21/c. In the crystal structure of the compound, molecules are linked in a continuous chain by intermolecular Nsbnd H⋯Odbnd C hydrogen bonds, which stabilized the crystal structure. The palmitoyl moiety and N (2)-ethyl group lie on a plane, while the thiocarbonyl moiety is twisted and lying othorgonal to the plane. Non-covalent interaction (NCI) analysis on the hydrogen bonded solid state structure of the molecule revealed the presence of a significant number of non-covalent interactions including intermolecular hydrogen bonding interactions, Csbnd Hsbnd -lone pair interactions, weak Van der Waals interactions, and steric/ring closure interactions. The NCI analysis also showed the presence of intramolecular stabilizing Csbnd H⋯Odbnd C and Csbnd H⋯Sdbnd C interactions. Docking simulation revealed that the compound interacted favourably with ten selected validated anticancer drug targets, which is an indication that the compound could possess some anticancer properties.

Beyond Traditional Outcome-Based Education.

ERIC Educational Resources Information Center

Spady, William G.; Marshall, Kit J.

1991-01-01

Transitional outcome-based education lies in the twilight zone between traditional subject matter curriculum structures and planning processes and the future-role priorities inherent in transformational OBE. Districts go through incorporation, integration, and redefinition stages in implementing transitional OBE. Transformational OBE's guiding…

Eta Carinae: Orientation of The Orbital Plane

NASA Technical Reports Server (NTRS)

Gull, T. R.; Nielsen, K. E.; Ivarsson, S.; Corcoran, M. F.; Verner, E.; Hillier, J. D.

2006-01-01

Evidence continues to build that Eta Carinae is a massive binary system with a hidden hot companion in a highly elliptical orbit. We present imaging and spectroscopic evidence that provide clues to the orientation of the orbital plane. The circumstellar ejecta, known as the Homunculus and Little Homunculus, are hourglass-shaped structures, one encapsulated within the other, tilted at about 45 degrees from the sky plane. A disk region lies between the bipolar lobes. Based upon their velocities and proper motions, Weigelt blobs B, C and D, very bright emission clumps 0.1 to 0.3" Northwest from Eta Carinae, lie in the disk. UV flux from the hot companion, Eta Car B, photoexcites the Weigelt blobs. Other clumps form a complete chain around the star, but are not significantly photoexcited. The strontium filament, a 'neutral' emission structure, lies in the same general direction as the Weigelt blobs and exhibits peculiar properties indicative that much mid-UV, but no hydrogen-ionizing radiation impinges on this structure. It is shielded by singly-ionized iron. P Cygni absorptions in Fe I I lines, seen directly in line of sight from Eta Carinae, are absent in the stellar light scattered by the Weigelt blobs. Rather than a strong absorption extending to -600 km/s, a low velocity absorption feature extends from -40 to -150 km/s. No absorbing Fe II exists between Eta Carinae and Weigelt D, but the outer reaches of the wind are intercepted in line of sight from Weigelt D to the observer. This indicates that the UV radiation is constrained by the dominating wind of Eta Car A to a small cavity carved out by the weaker wind of Eta Car B. Since the high excitation nebular lines are seen in the Weigelt blobs at most phases, the cavity, and hence the major axis of the highly elliptical orbit, must lie in the general direction of the Weigelt blobs. The evidence is compelling that the orbital major axis of Eta Carinae is projected at -45 degrees position angle on the sky. Moreover the milliarcsecond-scale extended structure of Eta Carinae, recently detected by VLTI, may be evidence of the binary companion in the disk plane, not necessarily of a single star as a prolate spheroid extending along the ejecta polar axis.

Energy transfer between a nanosystem and its host fluid: A multiscale factorization approach

NASA Astrophysics Data System (ADS)

Sereda, Yuriy V.; Espinosa-Duran, John M.; Ortoleva, Peter J.

2014-02-01

Energy transfer between a macromolecule or supramolecular assembly and a host medium is considered from the perspective of Newton's equations and Lie-Trotter factorization. The development starts by demonstrating that the energy of the molecule evolves slowly relative to the time scale of atomic collisions-vibrations. The energy is envisioned to be a coarse-grained variable that coevolves with the rapidly fluctuating atomistic degrees of freedom. Lie-Trotter factorization is shown to be a natural framework for expressing this coevolution. A mathematical formalism and workflow for efficient multiscale simulation of energy transfer is presented. Lactoferrin and human papilloma virus capsid-like structure are used for validation.

Quantum Monte Carlo methods for nuclear physics

DOE PAGES

Carlson, J.; Gandolfi, S.; Pederiva, F.; ...

2015-09-09

Quantum Monte Carlo methods have proved valuable to study the structure and reactions of light nuclei and nucleonic matter starting from realistic nuclear interactions and currents. These ab-initio calculations reproduce many low-lying states, moments, and transitions in light nuclei, and simultaneously predict many properties of light nuclei and neutron matter over a rather wide range of energy and momenta. The nuclear interactions and currents are reviewed along with a description of the continuum quantum Monte Carlo methods used in nuclear physics. These methods are similar to those used in condensed matter and electronic structure but naturally include spin-isospin, tensor, spin-orbit,more » and three-body interactions. A variety of results are presented, including the low-lying spectra of light nuclei, nuclear form factors, and transition matrix elements. Low-energy scattering techniques, studies of the electroweak response of nuclei relevant in electron and neutrino scattering, and the properties of dense nucleonic matter as found in neutron stars are also described. Furthermore, a coherent picture of nuclear structure and dynamics emerges based upon rather simple but realistic interactions and currents.« less

Quantum Monte Carlo methods for nuclear physics

DOE PAGES

Carlson, Joseph A.; Gandolfi, Stefano; Pederiva, Francesco; ...

2014-10-19

Quantum Monte Carlo methods have proved very valuable to study the structure and reactions of light nuclei and nucleonic matter starting from realistic nuclear interactions and currents. These ab-initio calculations reproduce many low-lying states, moments and transitions in light nuclei, and simultaneously predict many properties of light nuclei and neutron matter over a rather wide range of energy and momenta. We review the nuclear interactions and currents, and describe the continuum Quantum Monte Carlo methods used in nuclear physics. These methods are similar to those used in condensed matter and electronic structure but naturally include spin-isospin, tensor, spin-orbit, and three-bodymore » interactions. We present a variety of results including the low-lying spectra of light nuclei, nuclear form factors, and transition matrix elements. We also describe low-energy scattering techniques, studies of the electroweak response of nuclei relevant in electron and neutrino scattering, and the properties of dense nucleonic matter as found in neutron stars. A coherent picture of nuclear structure and dynamics emerges based upon rather simple but realistic interactions and currents.« less

Structural basis for specific recognition of multiple mRNA targets by a PUF regulatory protein

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

Wang, Yeming; Opperman, Laura; Wickens, Marvin

2011-11-02

Caenorhabditis elegans fem-3 binding factor (FBF) is a founding member of the PUMILIO/FBF (PUF) family of mRNA regulatory proteins. It regulates multiple mRNAs critical for stem cell maintenance and germline development. Here, we report crystal structures of FBF in complex with 6 different 9-nt RNA sequences, including elements from 4 natural mRNAs. These structures reveal that FBF binds to conserved bases at positions 1-3 and 7-8. The key specificity determinant of FBF vs. other PUF proteins lies in positions 4-6. In FBF/RNA complexes, these bases stack directly with one another and turn away from the RNA-binding surface. A short regionmore » of FBF is sufficient to impart its unique specificity and lies directly opposite the flipped bases. We suggest that this region imposes a flattened curvature on the protein; hence, the requirement for the additional nucleotide. The principles of FBF/RNA recognition suggest a general mechanism by which PUF proteins recognize distinct families of RNAs yet exploit very nearly identical atomic contacts in doing so.« less

Structural basis for specific recognition of multiple mRNA targets by a PUF regulatory protein

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

Wang, Yeming; Opperman, Laura; Wickens, Marvin

2010-08-19

Caenorhabditis elegans fem-3 binding factor (FBF) is a founding member of the PUMILIO/FBF (PUF) family of mRNA regulatory proteins. It regulates multiple mRNAs critical for stem cell maintenance and germline development. Here, we report crystal structures of FBF in complex with 6 different 9-nt RNA sequences, including elements from 4 natural mRNAs. These structures reveal that FBF binds to conserved bases at positions 1-3 and 7-8. The key specificity determinant of FBF vs. other PUF proteins lies in positions 4-6. In FBF/RNA complexes, these bases stack directly with one another and turn away from the RNA-binding surface. A short regionmore » of FBF is sufficient to impart its unique specificity and lies directly opposite the flipped bases. We suggest that this region imposes a flattened curvature on the protein; hence, the requirement for the additional nucleotide. The principles of FBF/RNA recognition suggest a general mechanism by which PUF proteins recognize distinct families of RNAs yet exploit very nearly identical atomic contacts in doing so.« less

Growth of pentacene on α -Al2O3 (0001) studied by in situ optical spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Lei; Fu, X.; Hohage, M.; Zeppenfeld, P.; Sun, L. D.

2017-09-01

The growth of pentacene thin films on a sapphire α -Al2O3 (0001) surface was investigated in situ using differential reflectance spectroscopy (DRS). Two different film structures are observed depending on the substrate temperature. If pentacene is deposited at room temperature, a wetting layer consisting of flat-lying molecules is formed after which upright-standing molecular layers with a herringbone structure start to grow. At low substrate temperature of 100 K, the long molecular axis of the pentacene molecules remains parallel to the surface plane throughout the entire growth regime up to rather large thicknesses. Heating thin films deposited at 100 K to room temperature causes the pentacene molecules beyond the wetting layer to stand up and assemble into a herringbone structure. Another interesting observation is the dewetting of the first flat-lying monolayer upon exposure to air, leading to the condensation of islands consisting of upright-standing molecules. Our results emphasize the interplay between growth kinetics and thermodynamics and its influence on the molecular orientation in organic thin films.

Long-lived structural control of Mt. Shasta's plumbing system illuminated by 40Ar/39Ar geochronology

NASA Astrophysics Data System (ADS)

Calvert, A. T.; Christiansen, R. L.

2013-12-01

Mt. Shasta is the largest stratovolcano in the Cascade Arc, surpassed in volume only by the large rear-arc Medicine Lake and Newberry composite volcanoes. Including the material in the ~350 ka debris avalanche, it has produced more than 500 km3 of andesite and dacite from several superimposed central vents over its 700-850 kyr history. Earlier, between at least 970 to 1170 ka, the Rainbow Mountain volcano of similar composition and size occupied this latitude of the arc ~20 km further east. This shift of magmatic focus from within the arc axis (as defined by 6 Ma and younger calc-alkaline centers) to the arc front is poorly understood, but the current center's location appears structurally controlled. Most identifiable volcanic vents on Mt. Shasta lie within 1 km of a N-S line through the active summit cone. 40Ar/39Ar ages of map units occupying the vent alignment range from the Holocene (5×1 ka) current summit dome to at least the Middle Pleistocene (464×9 ka McKenzie Butte). The vast majority of eruptions have issued from central vents (Sargents Ridge, 300-135 ka; Misery Hill, 100-15 ka; and Hotlum, <10 ka), each 500 to 1000m north of its predecessor. A central vent for the pre-avalanche edifice is impossible to locate precisely, but was possibly on the same N-S trend and certainly no more than 4 km to the west, likely south of the Sargents Ridge central vent. ~15 of ~25 mapped flank vents lie on the alignment and the other ten lie west of the line. No identified volcanic vents lie east of the line until >12 km from Mt. Shasta (Ash Creek Butte, 227 ka; Basalt of McCloud River, 38 ka; The Whaleback, 102 ka), and monogenetic and polygenetic centers further east and northeast. From these observations we infer that: (1) magmas are localized along a ~20 km, long-lived, N-S trending structure running through the summit; (2) the upper crustal structure appears impermeable to magmas and resistant to dikes on its eastern side; (3) the western half of the area beneath the volcano appears substantially weaker, as dikes have fed flank vents 10-20 km from the summit over the history of the volcano; and (4) the orientation of the WNW-directed debris avalanche, coincident with the greatest concentration of flank vents, may indicate either structural weakness or failure following emplacement of a cryptodome similar to the 1980 events at Mt. St. Helens.

First principles studies of the dependence of magnetism on the crystal phase in 4d and 5d late transition metals

NASA Astrophysics Data System (ADS)

Hüger, E.; Osuch, K.

2005-03-01

We investigate the possibility of inducing ferromagnetic order in 4d and 5d late transition metals through crystal symmetry change. First principles, self-consistent density functional theory calculations, with spin-orbit coupling included, performed at 0 K show that ferromagnetism occurs in the bulk of Rh and Pd at the optimum lattice constant if Rh is in the bcc and Pd in the hcp/dhcp phase. The ferromagnetic order originates in the d-band occupancy of Rh or Pd which locates the Fermi energy at the top of the highest peak of the respective (paramagnetic) density of states induced by the bcc or hcp/dhcp structure. This peak in the density of states is caused by flat bands which lie at the surface of the respective Brillouin zone. For a bcc crystal these flat bands have the eg character and are positioned at the surface of the bcc Brillouin zone along the N-P line. The origin of the flatness of the bands was found to be the translation symmetry of the cubic lattice which causes the bands with the eg character to be narrow along the k-lines whose k-vector directions are furthest off the directions to which the orbitals of the eg symmetry point. Due to the d-band occupancy of Rh these flat bands lie in the paramagnetic state at the Fermi energy, whereas in the ferromagnetic state they exhibit the largest energetic split. This indicates that a smaller degree of orbital overlap narrows electronic bands enhancing the tendency of the system for ferromagnetic band split. For the hcp/dhcp structure the states contributing to the high density of para-magnetic states at the Fermi level of Pd lie in the vicinity of the M-L line of the hcp Brillouin zone boundary, which possesses a high number of symmetry (M and L) points. Moreover, the M-L line is aligned with the stacking sequence direction ([0001]) which is furthest off the densest-packed atomic chain direction of an hcp-crystal and, consequently, the weakest-bond direction in the crystal. This makes the narrow bands along the M-L line flat. The instability of the bcc and the meta-stability of the hcp crystal phase modifications for metals with native close-packed crystal structures is subsequently analysed in order to find whether they can be grown as films on suitable substrates.

Environmental Education through Distance Education.

ERIC Educational Resources Information Center

Sharma, Motilal

The roots of environmental problems at local, national, regional, and global levels lie in factors associated with a very low level of economic development and insufficient environmental awareness caused by a lack of education. Environmental education becomes a cornerstone of public awareness about the environment and the solution and prevention…

Giant-geode endowment of tumuli in the Veia Alta flow, Ametista do Sul

NASA Astrophysics Data System (ADS)

Hartmann, L. A.; Pertille, J.; Duarte, L. C.

2017-08-01

Tumuli are a common feature of pahoehoe basaltic flows, interspersed with pits, and furnished the necessary volume of rock in the Paraná volcanic province for hydrothermal alteration and ballooning to form large cavities (1-2 m common). Filling by amethyst and other minerals resulted in the largest world deposit of geodes, Ametista do Sul. The flat-lying fracture positioned 1 m below the 2-3 m thick geodic level crosses the plateau and is a major guide for exploration and gallery opening. The geodes are limited on the top by the platy joint layer, which is covered by an auto-breccia with undulating lower limit. This wave mimicks and is internal to the structure of tumuli and pits at the surface. This field-oriented survey of galleries selected out of 300 active mines resulted in the description of the internal structure of the remarkable Veia Alta pahoehoe flow, in addition to observations in Uruguay.

Influence of Fe ions on structural, optical and thermal properties of SnO{sub 2} nanoparticles

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

Ahmed, Ateeq, E-mail: ateeqamu124@gmail.com; Tripathi, P.; Khan, Wasi

2016-05-23

In the present work, Fe doped SnO{sub 2} nanoparticles with the composition Sn{sub 1-x}Fe{sub x}O{sub 2} (x = 0, 0.02, 0.04 and 0.06) have been successfully synthesized using sol-gel auto combustion technique. The samples are characterized by X-ray diffraction (XRD), Scanning electron microscopy (SEM), Energy dispersive X-ray analysis (EDAX), Ultraviolet (UV-Visible) absorption spectroscopy and thermal gravimetric analysis (TGA). The XRD study shows that all the samples have been found in tetragonal rutile structure without any extra phase and average crystallite size which lies in the range of 6-17 nm. The EDAX spectrum confirmed the doping of Fe ion into tin oxidemore » nanomaterial. The optical band gap of doped SnO{sub 2} is found to decrease with increasing Fe ion concentration, which is due to the formation of donor energy levels in the actual band gap of SnO{sub 2}.« less

Modeling visual problem solving as analogical reasoning.

PubMed

Lovett, Andrew; Forbus, Kenneth

2017-01-01

We present a computational model of visual problem solving, designed to solve problems from the Raven's Progressive Matrices intelligence test. The model builds on the claim that analogical reasoning lies at the heart of visual problem solving, and intelligence more broadly. Images are compared via structure mapping, aligning the common relational structure in 2 images to identify commonalities and differences. These commonalities or differences can themselves be reified and used as the input for future comparisons. When images fail to align, the model dynamically rerepresents them to facilitate the comparison. In our analysis, we find that the model matches adult human performance on the Standard Progressive Matrices test, and that problems which are difficult for the model are also difficult for people. Furthermore, we show that model operations involving abstraction and rerepresentation are particularly difficult for people, suggesting that these operations may be critical for performing visual problem solving, and reasoning more generally, at the highest level. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Is Israel ready for disease management?

PubMed

Linden, Ariel

2006-10-01

Approximately 60% of all worldwide deaths are caused by chronic disease resulting from modifiable health behaviors. In the United States, structured programs tailored to identify and modify health behaviors of patients with chronic illness have grown into a robust industry called disease management. DM is premised upon the basic assumption that health services utilization and morbidity can be reduced for those with chronic illness by augmenting traditional episodic medical care services and support between physician visits. Given that Israel and the U.S. have similar demographics in their chronically ill populations, it would make intuitive sense for Israel to replicate efforts made in the U.S. to incorporate DM strategies. This paper provides a conceptual framework of how DM could be integrated within the current organizational structure of the Israeli healthcare system, which is uniquely conducive to the implementation of DM on a population-wide basis. While ultimately the decision to invest in DM lies with stakeholders at various institutional levels in Israel, this paper is intended to provide direction and support for that decision-making process.

Huyghens Engines--a new concept and its embodiment for nano-micro interlevel information processing.

PubMed

Santoli, Salvatore

2009-02-01

Current criteria in Bionanotechnology based on software and sensor/actuator hardware of Artificial Intelligence for bioinspired nanostructured systems lack the nanophysical background and key mathematics to describe and mimick the biological hierarchies of nano-to-micro-integrated informational/energetic levels. It is argued that bionanoscale hardware/software undividable solidarity can be mimicked by artificial nanostructured systems featuring intra/interlevel information processing through the emerging organization principle of quantum holography, described by the Heisenberg group G and by harmonic analysis on G. From a property of G as a Lie group, quantum holography is shown to merge the quantum/classical dynamic-symbolic ongoings into the structure-function unity of biological sensing-information processing-actuating, while by Ch. Huyghens' principles about wave motion and coupled oscillators synchronization it applies to environmental waves of any kind, so embodying a universal information processing engine, dubbed Huyghens Engine, that mimicks the holistic nanobiological structure-function solidarity and the kinetics/thermodynamics of nano/micro interface information transfer.

Time-lapse imaging of disease progression in deep brain areas using fluorescence microendoscopy

PubMed Central

Barretto, Robert P. J.; Ko, Tony H.; Jung, Juergen C.; Wang, Tammy J.; Capps, George; Waters, Allison C.; Ziv, Yaniv; Attardo, Alessio; Recht, Lawrence; Schnitzer, Mark J.

2013-01-01

The combination of intravital microscopy and animal models of disease has propelled studies of disease mechanisms and treatments. However, many disorders afflict tissues inaccessible to light microscopy in live subjects. Here we introduce cellular-level time-lapse imaging deep within the live mammalian brain by one- and two-photon fluorescence microendoscopy over multiple weeks. Bilateral imaging sites allowed longitudinal comparisons within individual subjects, including of normal and diseased tissues. Using this approach we tracked CA1 hippocampal pyramidal neuron dendrites in adult mice, revealing these dendrites' extreme stability (>8,000 day mean lifetime) and rare examples of their structural alterations. To illustrate disease studies, we tracked deep lying gliomas by observing tumor growth, visualizing three-dimensional vasculature structure, and determining microcirculatory speeds. Average erythrocyte speeds in gliomas declined markedly as the disease advanced, notwithstanding significant increases in capillary diameters. Time-lapse microendoscopy will be applicable to studies of numerous disorders, including neurovascular, neurological, cancerous, and trauma-induced conditions. PMID:21240263

Projected shell model study on nuclei near the N = Z line

NASA Astrophysics Data System (ADS)

Sun, Y.

2003-04-01

Study of the N ≈ Z nuclei in the mass-80 region is not only interesting due to the existence of abundant nuclear-structure phenomena, but also important in understanding the nucleosynthesis in the rp-process. It is difficult to apply a conventional shell model due to the necessary involvement of the g 9/2 sub-shell. In this paper, the projected shell model is introduced to this study. Calculations are systematically performed for the collective levels as well as the quasi-particle excitations. It is demonstrated that calculations with this truncation scheme can achieve a comparable quality as the large-scale shell model diagonalizations for 48 Cr, but the present method can be applied to much heavier mass regions. While the known experimental data of the yrast bands in the N ≈ Z nuclei (from Se to Ru) are reasonably described, the present calculations predict the existence of high- K states, some of which lie low in energy under certain structure conditions.

Theoretical modeling of the uranium 4f XPS for U(VI) and U(IV) oxides

NASA Astrophysics Data System (ADS)

Bagus, Paul S.; Nelin, Connie J.; Ilton, Eugene S.

2013-12-01

A rigorous study is presented of the physical processes related to X-Ray photoelectron spectroscopy, XPS, in the 4f level of U oxides, which, as well as being of physical interest in themselves, are representative of XPS in heavy metal oxides. In particular, we present compelling evidence for a new view of the screening of core-holes that extends prior understandings. Our analysis of the screening focuses on the covalent mixing of high lying U and O orbitals as opposed to the, more common, use of orbitals that are nominally pure U or pure O. It is shown that this covalent mixing is quite different for the initial and final, core-hole, configurations and that this difference is directly related to the XPS satellite intensity. Furthermore, we show that the high-lying U d orbitals as well as the U(5f) orbital may both contribute to the core-hole screening, in contrast with previous work that has only considered screening through the U(5f) shell. The role of modifying the U-O interaction by changing the U-O distance has been investigated and an unexpected correlation between U-O distance and XPS satellite intensity has been discovered. The role of flourite and octahedral crystal structures for U(IV) oxides has been examined and relationships established between XPS features and the covalent interactions in the different structures. The physical views of XPS satellites as arising from shake processes or as arising from ligand to metal charge transfers are contrasted; our analysis provides strong support that shake processes give a more fundamental physical understanding than charge transfer. Our theoretical studies are based on rigorous, strictly ab initio determinations of the electronic structure of embedded cluster models of U oxides with formal U(VI) and U(IV) oxidation states. Our results provide a foundation that makes it possible to establish quantitative relationships between features of the XPS spectra and materials properties.

Geologic map of the Chisos Mountains, Big Bend National Park, Texas

USGS Publications Warehouse

Bohannon, Robert G.

2011-01-01

The Chisos Mountains form some of the highest ground in Texas, second only to Guadalupe Peak near the New Mexico border. The northern half of the range is mostly above 5,500 feet with Emory Peak the high point at 7,825 feet. The mountains are centrally located in Big Bend National Park between Panther Junction and Punta de la Sierra. Big Bend National Park lies near the diffuse border between the Great Plains Province to the northeast and the Sonoran section of the Basin-and-Range structural province to the west and southwest. These geologically unique regions are distinguished from one another by large differences in their landscape and by the amount and style of internal structural deformation. The Great Plains Province is characterized by flat-lying or gently dipping sedimentary strata, low topographic relief, shallow stream valleys, and by a general lack of faulting. Very little active deposition is occurring on the plains, except in the bottoms of active stream valleys. In southwestern Texas the plains stand at average elevations of 2,000 to 3,300 feet and slope gently east toward the Mississippi River and the Gulf of Mexico. The Great Plains have remained relatively unchanged for the last 65 million years, except that they have been uplifted to their present height from lower elevations probably in the last 5 million years. The Basin-and-Range province is characterized by linear parallel mountain ranges, deep sediment-filled valleys, and high structural and topographic relief. The eastern part of the province is at a slightly higher average elevation than the plains. The province is known for its complex patterns of Cenozoic faulting. Today it bears little resemblance to the way it was during the Paleocene when the entire Trans-Pecos region was a simple lowland that was near or slightly below sea level.

Oxytocin promotes group-serving dishonesty

PubMed Central

Shalvi, Shaul; De Dreu, Carsten K. W.

2014-01-01

To protect and promote the well-being of others, humans may bend the truth and behave unethically. Here we link such tendencies to oxytocin, a neuropeptide known to promote affiliation and cooperation with others. Using a simple coin-toss prediction task in which participants could dishonestly report their performance levels to benefit their group’s outcome, we tested the prediction that oxytocin increases group-serving dishonesty. A double-blind, placebo-controlled experiment allowing individuals to lie privately and anonymously to benefit themselves and fellow group members showed that healthy males (n = 60) receiving intranasal oxytocin, rather than placebo, lied more to benefit their group, and did so faster, yet did not necessarily do so because they expected reciprocal dishonesty from fellow group members. Treatment effects emerged when lying had financial consequences and money could be gained; when losses were at stake, individuals in placebo and oxytocin conditions lied to similar degrees. In a control condition (n = 60) in which dishonesty only benefited participants themselves, but not fellow group members, oxytocin did not influence lying. Together, these findings fit a functional perspective on morality revealing dishonesty to be plastic and rooted in evolved neurobiological circuitries, and align with work showing that oxytocin shifts the decision-maker’s focus from self to group interests. These findings highlight the role of bonding and cooperation in shaping dishonesty, providing insight into when and why collaboration turns into corruption. PMID:24706799

Oxytocin promotes group-serving dishonesty.

PubMed

Shalvi, Shaul; De Dreu, Carsten K W

2014-04-15

To protect and promote the well-being of others, humans may bend the truth and behave unethically. Here we link such tendencies to oxytocin, a neuropeptide known to promote affiliation and cooperation with others. Using a simple coin-toss prediction task in which participants could dishonestly report their performance levels to benefit their group's outcome, we tested the prediction that oxytocin increases group-serving dishonesty. A double-blind, placebo-controlled experiment allowing individuals to lie privately and anonymously to benefit themselves and fellow group members showed that healthy males (n = 60) receiving intranasal oxytocin, rather than placebo, lied more to benefit their group, and did so faster, yet did not necessarily do so because they expected reciprocal dishonesty from fellow group members. Treatment effects emerged when lying had financial consequences and money could be gained; when losses were at stake, individuals in placebo and oxytocin conditions lied to similar degrees. In a control condition (n = 60) in which dishonesty only benefited participants themselves, but not fellow group members, oxytocin did not influence lying. Together, these findings fit a functional perspective on morality revealing dishonesty to be plastic and rooted in evolved neurobiological circuitries, and align with work showing that oxytocin shifts the decision-maker's focus from self to group interests. These findings highlight the role of bonding and cooperation in shaping dishonesty, providing insight into when and why collaboration turns into corruption.

Molecular Phylogeny and Predicted 3D Structure of Plant beta-D-N-Acetylhexosaminidase

PubMed Central

Hossain, Md. Anowar

2014-01-01

beta-D-N-Acetylhexosaminidase, a family 20 glycosyl hydrolase, catalyzes the removal of β-1,4-linked N-acetylhexosamine residues from oligosaccharides and their conjugates. We constructed phylogenetic tree of β-hexosaminidases to analyze the evolutionary history and predicted functions of plant hexosaminidases. Phylogenetic analysis reveals the complex history of evolution of plant β-hexosaminidase that can be described by gene duplication events. The 3D structure of tomato β-hexosaminidase (β-Hex-Sl) was predicted by homology modeling using 1now as a template. Structural conformity studies of the best fit model showed that more than 98% of the residues lie inside the favoured and allowed regions where only 0.9% lie in the unfavourable region. Predicted 3D structure contains 531 amino acids residues with glycosyl hydrolase20b domain-I and glycosyl hydrolase20 superfamily domain-II including the (β/α)8 barrel in the central part. The α and β contents of the modeled structure were found to be 33.3% and 12.2%, respectively. Eleven amino acids were found to be involved in ligand-binding site; Asp(330) and Glu(331) could play important roles in enzyme-catalyzed reactions. The predicted model provides a structural framework that can act as a guide to develop a hypothesis for β-Hex-Sl mutagenesis experiments for exploring the functions of this class of enzymes in plant kingdom. PMID:25165734

Introduction to quantized LIE groups and algebras

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

Tjin, T.

1992-10-10

In this paper, the authors give a self-contained introduction to the theory of quantum groups according to Drinfeld, highlighting the formal aspects as well as the applications to the Yang-Baxter equation and representation theory. Introductions to Hopf algebras, Poisson structures and deformation quantization are also provided. After defining Poisson Lie groups the authors study their relation to Lie bialgebras and the classical Yang-Baxter equation. Then the authors explain in detail the concept of quantization for them. As an example the quantization of sl[sub 2] is explicitly carried out. Next, the authors show how quantum groups are related to the Yang-Baxtermore » equation and how they can be used to solve it. Using the quantum double construction, the authors explicitly construct the universal R matrix for the quantum sl[sub 2] algebra. In the last section, the authors deduce all finite-dimensional irreducible representations for q a root of unity. The authors also give their tensor product decomposition (fusion rules), which is relevant to conformal field theory.« less

Damming the genomic data flood using a comprehensive analysis and storage data structure

PubMed Central

Bouffard, Marc; Phillips, Michael S.; Brown, Andrew M.K.; Marsh, Sharon; Tardif, Jean-Claude; van Rooij, Tibor

2010-01-01

Data generation, driven by rapid advances in genomic technologies, is fast outpacing our analysis capabilities. Faced with this flood of data, more hardware and software resources are added to accommodate data sets whose structure has not specifically been designed for analysis. This leads to unnecessarily lengthy processing times and excessive data handling and storage costs. Current efforts to address this have centered on developing new indexing schemas and analysis algorithms, whereas the root of the problem lies in the format of the data itself. We have developed a new data structure for storing and analyzing genotype and phenotype data. By leveraging data normalization techniques, database management system capabilities and the use of a novel multi-table, multidimensional database structure we have eliminated the following: (i) unnecessarily large data set size due to high levels of redundancy, (ii) sequential access to these data sets and (iii) common bottlenecks in analysis times. The resulting novel data structure horizontally divides the data to circumvent traditional problems associated with the use of databases for very large genomic data sets. The resulting data set required 86% less disk space and performed analytical calculations 6248 times faster compared to a standard approach without any loss of information. Database URL: http://castor.pharmacogenomics.ca PMID:21159730

Lie, Santilli, and nanotechnology: From the elementary particles to the periodic table of the elements

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

Trell, Erik, E-mail: erik.trell@gmail.com

2014-12-10

Santilli’s revolutionary iso-, geno- and hypermathematics have provided the original straight line Lie groups and algebras with a span and coherence in all dimensions, and thus already at the infinitesimal level an extension in the Cartesian sense, allowing a continuous self-similar cyclical realization of matter from the elementary particle threshold level via the atomic to molecular and visible scale where it meets and marries with modern nanotechnology in the form of an isotropic vector matrix of space-filling octahedron-tetrahedron composition. This is distributed as an electron transition matrix with Bohr shell model stratified signature and is here directly outlining a new,more » centrally coordinated organic composition and chart of the periodic system as specifically exemplified by the noble gases.« less

On the Ground Electronic States of TiF and TiCl

PubMed

Boldyrev; Simons

1998-04-01

The low-lying electronic states of TiF and TiCl have been studied using high level ab initio techniques. Both are found to have two low-lying excited electronic states, 4Sigma- (0.080 eV (TiF) and 0.236 eV (TiCl)) and 2Delta (0.266 eV (TiF) and 0.348 eV (TiCl)), and 4Phi ground states at the highest CCSD(T)/6-311++G(2d,2f) level of theory. Our theoretical predictions of 4Phi ground electronic states for TiF and TiCl support recent experimental findings by Ram and Bernath, and our calculated bond lengths and vibrational frequencies are in reasonable agreement with their experimental data. Copyright 1998 Academic Press.

Energetic cost of standard activities in Gurkha and British soldiers.

PubMed

Strickland, S S; Ulijaszek, S J

1990-01-01

Measurements of basal metabolic rate and energy expenditure at lying, sitting, standing, and performing a step test at four levels of exercise, were made on Gurkha soldiers stationed in Britain and on British controls matched by body weight and occupational background. There was no significant difference in basal metabolic rate (BMR), nor in the energy cost of lying, sitting and standing between the two groups. Gurhas showed significantly lower gross and net energy expenditure, and so significantly greater net mechanical efficiency, at the lower levels of step exercise. The ratio of gross energy expenditure to BMR was lower in Gurkhas at the lowest rates of stepping compared with the British controls. These results suggest that the energy cost of some physical activities expressed as multiples of BMR may not be constant across populations.

Structural, dynamical & electronic properties of CaCuO{sub 2}

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

Agrawal, B.K.; Agrawal, S.

1994-12-31

The scalar relativistic version of an accurate first principles full potential self- consistent linearized muffin tin orbital (LMTO) method has been employed for describing the physical properties of the parent system of the high-Tc oxide superconductors, i.e., CaCuO2. The presently employed modified version of the LMTO method is quite fast and goes beyond the usual LMTO-ASA method in the sense that it permits a completely general shape of the potential and the charge density. Also, in contrast to LMTO-ASA, the present method is also capable of treating distorted lattice structures accurately. The calculated values of the lattice parameters of puremore » CaCuO2 lie within 3% of the experimentally measured values for the Sr-doped system Ca(.86)Sr(.14)CuO(2). The computed electronic structures and the density of states is quite similar to those of the other oxide superconductors, except of their three- dimensional character because of the presence of strong coupling between the closely spaced CuO2 layers. The van Hove singularity peak appears slightly below the Fermi level and a small concentration of oxygenation /or/ substitutional doping may pin it as the Fermi level. The calculated frequencies for some symmetric frozen phonons for undoped CaCuO2 are quite near to the measured data for the Sr-doped CaCuO2.« less

Structural, dynamical and electronic properties of CaCuO2

NASA Technical Reports Server (NTRS)

Agrawal, Bal K.; Agrawal, Savitri

1995-01-01

The scalar relativistic version of an accurate first principles full potential self-consistent linearized muffin tin orbital (LMTO) method has been employed for describing the physical properties of the parent system of the high-T(sub c) oxide superconductors, i.e., CaCuO2. The presently employed modified version of the LMTO method is quite fast and goes beyond the usual LMTO ASA method in the sense that it permits a completely general shape of the potential and the charge density. Also, in contrast to LMTO ASA, the present method is also capable of treating distorted lattice structures accurately. The calculated values of the lattice parameters of pure CaCuO2 lie within 3% of the experimentally measured values for the Sr-doped system Ca(0.86)Sr(0.14)CuO(2). The computed electronic structures and the density of states is quite similar to those of the other oxide superconductors, except of their three- dimensional character because of the presence of strong coupling between the closely spaced CuO2 layers. The van Hove singularity peak appears slightly below the Fermi level and a small concentration of oxygenation /or/ substitutional doping may pin it at the Fermi level. The calculated frequencies for some symmetric frozen phonons for undoped CaCuO2 are quite near to the measured data for the Sr-doped CaCuO2.

Macro- and micro- geodynamic of Terebliya-Riksk geodetic man-caused polygon of Ukrainian Carpathians influenced by specificities of structure-geological and hydro-geological conditions

NASA Astrophysics Data System (ADS)

Kulchyzkyy, A.; Serebryannyy, Y.; Tretyak, K.; Trevogo, I.; Zadoroznnyy, V.

2009-04-01

Terebliya-Riksk diversion power station is located on two levels ( with difference of 180m ) of south mountainside of Ukrainian Carpathians and separate parts of this power station lie inside rock. Therefore influential parameters of it's stability are geological, tectonic and hydrogeological conditions in complex. Monitoring of intensity and nature of displacements of flow ( pressure) pipe and other objects of power station with geoditic methods indicates that fluctuations of water-level in reservoir caused bouth by natural and artificial efects are of great influence on objects mentioned. Based on geodetical high-precision observations made by LeicaTPS 1201 robotic total station short-periodic components of fundamental vibrations which result in their destructive deformation were determined. Mathematical apparatus ( which uses function of Fourie series and theory of cinematic coefficients ) for displacements determinations of pressure pipe was disigned. Complex of engineering-geological surveys gave an opportunity to define the origin of macro- and micro- geodynamics movements of Terebliya-Riksk diversion power station region. Engineering-geological conditions which influence on power station structure most of all were determined as following : small foldings and cleavage areas appearances, also fluctuations of level of underground water (refered to hydrogeological conditions). Periodic micro-displacemets appearances ( which operate on reducing-stretching scheme) fixed on power station structure are turned to be in direct relation on to what exend reservoir is filled up. Permanent macro- displacements appearances ( which operates in north-west direction ) fixed on pressure pipe are the result sum of residual micro-displacements caused by return periodic movements and are determined by structure-geological, engineering-geological and tectonic conditions.

The electronic structure of vanadium monochloride cation (VCl+): Tackling the complexities of transition metal species

NASA Astrophysics Data System (ADS)

DeYonker, Nathan J.; Halfen, DeWayne T.; Allen, Wesley D.; Ziurys, Lucy M.

2014-11-01

Six electronic states (X 4Σ-, A 4Π, B 4Δ, 2Φ, 2Δ, 2Σ+) of the vanadium monochloride cation (VCl+) are described using large basis set coupled cluster theory. For the two lowest quartet states (X 4Σ- and A 4Π), a focal point analysis (FPA) approach was used that conjoined a correlation-consistent family of basis sets up to aug-cc-pwCV5Z-DK with high-order coupled cluster theory through pentuple (CCSDTQP) excitations. FPA adiabatic excitation energies (T0) and spectroscopic constants (re, r0, Be, B0, bar De, He, ωe, v0, αe, ωexe) were extrapolated to the valence complete basis set Douglas-Kroll (DK) aug-cc-pV∞Z-DK CCSDT level of theory, and additional treatments accounted for higher-order valence electron correlation, core correlation, and spin-orbit coupling. Due to the delicate interplay between dynamical and static electronic correlation, single reference coupled cluster theory is able to provide the correct ground electronic state (X 4Σ-), while multireference configuration interaction theory cannot. Perturbations from the first- and second-order spin orbit coupling of low-lying states with quartet spin multiplicity reveal an immensely complex rotational spectrum relative to the isovalent species VO, VS, and TiCl. Computational data on the doublet manifold suggest that the lowest-lying doublet state (2Γ) has a Te of ˜11 200 cm-1. Overall, this study shows that laboratory and theoretical rotational spectroscopists must work more closely in tandem to better understand the bonding and structure of molecules containing transition metals.

Structure prediction of nanoclusters; a direct or a pre-screened search on the DFT energy landscape?

PubMed

Farrow, M R; Chow, Y; Woodley, S M

2014-10-21

The atomic structure of inorganic nanoclusters obtained via a search for low lying minima on energy landscapes, or hypersurfaces, is reported for inorganic binary compounds: zinc oxide (ZnO)n, magnesium oxide (MgO)n, cadmium selenide (CdSe)n, and potassium fluoride (KF)n, where n = 1-12 formula units. The computational cost of each search is dominated by the effort to evaluate each sample point on the energy landscape and the number of required sample points. The effect of changing the balance between these two factors on the success of the search is investigated. The choice of sample points will also affect the number of required data points and therefore the efficiency of the search. Monte Carlo based global optimisation routines (evolutionary and stochastic quenching algorithms) within a new software package, viz. Knowledge Led Master Code (KLMC), are employed to search both directly and after pre-screening on the DFT energy landscape. Pre-screening includes structural relaxation to minimise a cheaper energy function - based on interatomic potentials - and is found to improve significantly the search efficiency, and typically reduces the number of DFT calculations required to locate the local minima by more than an order of magnitude. Although the choice of functional form is important, the approach is robust to small changes to the interatomic potential parameters. The computational cost of initial DFT calculations of each structure is reduced by employing Gaussian smearing to the electronic energy levels. Larger (KF)n nanoclusters are predicted to form cuboid cuts from the rock-salt phase, but also share many structural motifs with (MgO)n for smaller clusters. The transition from 2D rings to 3D (bubble, or fullerene-like) structures occur at a larger cluster size for (ZnO)n and (CdSe)n. Differences between the HOMO and LUMO energies, for all the compounds apart from KF, are in the visible region of the optical spectrum (2-3 eV); KF lies deep in the UV region at 5 eV and shows little variation. Extrapolating the electron affinities found for the clusters with respect to size results in the qualitatively correct work functions for the respective bulk materials.

Final Environmental Assessment: Construction of Maintenance and Storage Facility, Perimeter Fence Upgrade and Demolition of Three Buildings and Two Structures Gila River Air Force Space Surveillance Station Arizona

DTIC Science & Technology

2012-11-01

Estrella mountain range is approximately six miles west of the Installation and the Sacaton mountain range lie approximate- ly six miles to the southeast...Structures 3-4 Figure 5. Geological Map of Gila River AFSSS and Vicinity Sierra Estrella Range Sacaton Range EA — Construct Maintenance & Storage

Displacement based multilevel structural optimization

NASA Technical Reports Server (NTRS)

Striz, Alfred G.

1995-01-01

Multidisciplinary design optimization (MDO) is expected to play a major role in the competitive transportation industries of tomorrow, i.e., in the design of aircraft and spacecraft, of high speed trains, boats, and automobiles. All of these vehicles require maximum performance at minimum weight to keep fuel consumption low and conserve resources. Here, MDO can deliver mathematically based design tools to create systems with optimum performance subject to the constraints of disciplines such as structures, aerodynamics, controls, etc. Although some applications of MDO are beginning to surface, the key to a widespread use of this technology lies in the improvement of its efficiency. This aspect is investigated here for the MDO subset of structural optimization, i.e., for the weight minimization of a given structure under size, strength, and displacement constraints. Specifically, finite element based multilevel optimization of structures (here, statically indeterminate trusses and beams for proof of concept) is performed. In the system level optimization, the design variables are the coefficients of assumed displacement functions, and the load unbalance resulting from the solution of the stiffness equations is minimized. Constraints are placed on the deflection amplitudes and the weight of the structure. In the subsystems level optimizations, the weight of each element is minimized under the action of stress constraints, with the cross sectional dimensions as design variables. This approach is expected to prove very efficient, especially for complex structures, since the design task is broken down into a large number of small and efficiently handled subtasks, each with only a small number of variables. This partitioning will also allow for the use of parallel computing, first, by sending the system and subsystems level computations to two different processors, ultimately, by performing all subsystems level optimizations in a massively parallel manner on separate processors. It is expected that the subsystems level optimizations can be further improved through the use of controlled growth, a method which reduces an optimization to a more efficient analysis with only a slight degradation in accuracy. The efficiency of all proposed techniques is being evaluated relative to the performance of the standard single level optimization approach where the complete structure is weight minimized under the action of all given constraints by one processor and to the performance of simultaneous analysis and design which combines analysis and optimization into a single step. It is expected that the present approach can be expanded to include additional structural constraints (buckling, free and forced vibration, etc.) or other disciplines (passive and active controls, aerodynamics, etc.) for true MDO.

Development of a methodology for the assessment of sea level rise impacts on Florida's transportation modes and infrastructure : [summary].

DOT National Transportation Integrated Search

2012-01-01

In Florida, low elevations can make transportation infrastructure in coastal and low-lying areas potentially vulnerable to sea level rise (SLR). Becuase global SLR forecasts lack precision at local or regional scales, SLR forecasts or scenarios for p...

Topological approach to quantum Hall effects and its important applications: higher Landau levels, graphene and its bilayer

NASA Astrophysics Data System (ADS)

Jacak, Janusz; Łydżba, Patrycja; Jacak, Lucjan

2017-05-01

In this paper the topological approach to quantum Hall effects is carefully described. Commensurability conditions together with proposed generators of a system braid group are employed to establish the fractional quantum Hall effect hierarchies of conventional semiconductors, monolayer and bilayer graphene structures. Obtained filling factors are compared with experimental data and a very good agreement is achieved. Preliminary constructions of ground-state wave functions in the lowest Landau level are put forward. Furthermore, this work explains why pyramids of fillings from higher bands are not counterparts of the well-known composite-fermion hierarchy - it provides with the cause for an intriguing robustness of ν = 7/3 , 8/3 and 5/2 states (also in graphene). The argumentation why paired states can be developed in two-subband systems (wide quantum wells) only when the Fermi energy lies in the first Landau level is specified. Finally, the paper also clarifies how an additional surface in bilayer systems contributes to an observation of the fractional quantum Hall effect near half-filling, ν = 1/2 .

Many atolls may be uninhabitable within decades due to climate change

USGS Publications Warehouse

Storlazzi, Curt; Elias, Edwin P.L.; Berkowitz, Paul

2015-01-01

Observations show global sea level is rising due to climate change, with the highest rates in the tropical Pacific Ocean where many of the world’s low-lying atolls are located. Sea-level rise is particularly critical for low-lying carbonate reef-lined atoll islands; these islands have limited land and water available for human habitation, water and food sources, and ecosystems that are vulnerable to inundation from sea-level rise. Here we demonstrate that sea-level rise will result in larger waves and higher wave-driven water levels along atoll islands’ shorelines than at present. Numerical model results reveal waves will synergistically interact with sea-level rise, causing twice as much land forecast to be flooded for a given value of sea-level rise than currently predicted by current models that do not take wave-driven water levels into account. Atolls with islands close to the shallow reef crest are more likely to be subjected to greater wave-induced run-up and flooding due to sea-level rise than those with deeper reef crests farther from the islands’ shorelines. It appears that many atoll islands will be flooded annually, salinizing the limited freshwater resources and thus likely forcing inhabitants to abandon their islands in decades, not centuries, as previously thought.

Exogenous corticosterone and nest abandonment: a study in a long-lived bird, the Adélie penguin.

PubMed

Spée, Marion; Marchal, Lorène; Lazin, David; Le Maho, Yvon; Chastel, Olivier; Beaulieu, Michaël; Raclot, Thierry

2011-09-01

Breeding individuals enter an emergency life-history stage when their body reserves reach a minimum threshold. Consequently, they redirect current activity toward survival, leading to egg abandonment in birds. Corticosterone (CORT) is known to promote this stage. How and to what extent CORT triggers egg abandonment when breeding is associated with prolonged fasting, however, requires further investigation. We manipulated free-living male Adélie penguins with CORT-pellets before their laying period. We then examined their behavioral response with respect to nest abandonment in parallel with their prolactin levels (regulating parental care), and the subsequent effects of treatment on breeding success in relieved birds. Exogenous CORT triggered nest abandonment in 60% of the treated penguins ~14 days after treatment and induced a concomitant decline in prolactin levels. Interestingly, prolactin levels in treated penguins that did not abandon their nest were higher at the point of implantation and also after being relieved by females, when compared with abandoning penguins. Among successful birds, the treatment did not affect the number of chicks, nor the brood mass. Our results show the involvement of CORT in the decision-making process regarding egg abandonment in Adélie penguins when incubation is associated with a natural long fast. However, we suggest that CORT alone is not sufficient to trigger nest abandonment but that 1) prolactin levels need to reach a low threshold value, and 2) a rise in proteolysis (i.e. utilization of protein as main energy substrate) seems also to be required. Copyright © 2011 Elsevier Inc. All rights reserved.

Synoptic patterns leading to hailstorm in Chaharmahal and Bakhtiari province, Iran

NASA Astrophysics Data System (ADS)

Salahi, Bromand; Nohegar, Ahmad; Behrouzi, Mahmoud; Aalijahan, Mehdi

2018-03-01

The purpose of this study was to extract the synoptic patterns of 500 mb geopotential height and the sea level pressure leading to form hail in Chaharmahal and Bakhtiari province, Iran. To this end, at first, we explored hail occurrence in different areas of the province under investigation. Then, using sea level pressure and 500 mb geopotential height data, the patterns of hail occurrence were investigated through hierarchical clustering and Ward's method. The level of 500 mb patterns resulting in hail formation in the area include: (1) settlement of a cut-off low pressure blocking in Turkey and Iran's position in downstream of trough and injection of humidity coming from the Red Sea; (2) settlement of low ridge in northern Europe and Iran lying in downstream of the trough and injection of humidity of the Mediterranean Sea; (3) settlement of a cut-off low pressure in east of Europe and Iran lying in downstream of the trough; and (4) settlement of a deep trough in the Mediterranean Sea, formation of an omega-shaped blocking in Northern Europe and Iran lying in downstream of the trough. At sea level, the following patterns have caused hail formation in Chaharmahal and Bakhtiari province: (1) settlement of low pressure in Iran and Russia accompanying high pressure in Taklimakan Desert and east of Europe; (2) settlement of low pressure in Iran and high pressure in Egypt, northern Europe, and Taklimakan Desert; and (3) settlement of low pressure in Iran, Saudi Arabia and south of Italy and high pressure in Egypt and Siberia.

Stacking Orientation Mediation of Pentacene and Derivatives for High Open-Circuit Voltage Organic Solar Cells.

PubMed

Chou, Chi-Ta; Lin, Chien-Hung; Tai, Yian; Liu, Chin-Hsin J; Chen, Li-Chyong; Chen, Kuei-Hsien

2012-05-03

In this Letter, we investigated the effect of the molecular stacking orientation on the open circuit voltage (VOC) of pentacene-based organic solar cells. Two functionalized pentacenes, namely, 6,13-diphenyl-pentacene (DP-penta) and 6,13-dibiphenyl-4-yl-pentacene (DB-penta), were utilized. Different molecular stacking orientations of the pentacene derivatives from the pristine pentacene were identified by angle-dependent near-edge X-ray absorption fine structure measurements. It is concluded that pentacene molecules stand up on the substrate surface, while both functionalized pentacenes lie down. A significant increase of the VOC from 0.28 to 0.83 V can be achieved upon the utilization of functionalized pentacene, owing to the modulation of molecular stacking orientation, which induced a vacuum-level shift.

Nuclear Data Sheets for A = 70

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

Gürdal, G.; McCutchan, E.A.

2016-09-15

Spectroscopic data for all nuclei with mass number A = 70 have been evaluated, and the corresponding level schemes from radioactive decay and reaction studies are presented. Since the previous evaluation, the half-life of {sup 70}Mn has been measured and excited states in {sup 70}Fe observed for the first time. Excited states in {sup 70}Ni have been more extensively studied while Coulomb excitation and collinear laser spectroscopy measurements in {sup 70}Cu have allowed for firm Jπ assignments. Despite new measurements, there remain some discrepancies in half-lives of low lying states in {sup 70}Zn. New measurements have extended the knowledge ofmore » high-spin band structures in {sup 70}Ge and {sup 70}As. This evaluation supersedes the prior A = 70 evaluation of 2004Tu09.« less

[Analysis of contractual incentives for kidney transplants in Brazil using the principal-agent model].

PubMed

Costa, Cassia Kely Favoretto; Balbinotto, Giácomo; Sampaio, Luciano Menezes Bezerra

2016-09-12

The aim of this article was to analyze contractual incentives for kidney transplants in Brazil based on the principal-agent model. The approach assumes that the Brazilian Ministry of Health is the principal and the public hospitals accredited by the National Transplant System are the agent. The Ministry of Health's welfare depends on measures taken by hospitals in kidney uptake. Hospitals allocate administrative, financial, and management efforts to conduct measures in kidney donation, removal, uptake, and transplantation. Hospitals may choose the levels of effort that are consistent with the payments and incentives received in relation to transplantation costs. The solution to this type of problem lies in structuring an optimal incentives contract, which requires aligning the interests of both parties involved in the transplantation system.

Is there a relationship between foetal position and both preferred lying posture after birth and pattern of subsequent postural deformity in non-ambulant people with cerebral palsy?

PubMed

Porter, D; Michael, S; Kirkwood, C

2010-09-01

A pattern of postural deformity was observed in a previous study that included an association between direction of spinal curvature and direction of windsweeping with more windswept deformities occurring to the right and lateral spinal curvatures occurring convex to the left. The direction of this pattern was found to be associated with preferred lying posture in early life. The aim of this study was to test the association between foetal position and both the preferred lying posture after birth, and the direction of subsequent postural deformity in non-ambulant children with cerebral palsy (CP). A retrospective cohort study was carried out involving 60 participants at level five on the gross motor function classification for CP. Foetal position during the last month of pregnancy was taken from antenatal records and parents were interviewed to identify preferred lying posture in the first year of life. At the time of the physical assessment ages ranged from 1 year and 1 month to 19 years with a median age of 13 years and 1 month. Foetal presentation was found to be associated with the preferred lying posture with participants carried in a left occipito-anterior/lateral position more likely to adopt a supine head right lying posture, and vice versa. An association was also observed between the foetal position and asymmetrical postural deformity occurring later in life with participants carried in a left occipito-anterior/lateral presentation more likely to have a convex left spinal curve, a lower left pelvic obliquity, and a windswept hip pattern to the right. Clinicians should be aware of the association between foetal presentation, asymmetrical lying posture, and the direction of subsequent postural deformity for severely disabled children. A hypothesis is described that might help to explain these findings.

A mass-conservative adaptive FAS multigrid solver for cell-centered finite difference methods on block-structured, locally-cartesian grids

NASA Astrophysics Data System (ADS)

Feng, Wenqiang; Guo, Zhenlin; Lowengrub, John S.; Wise, Steven M.

2018-01-01

We present a mass-conservative full approximation storage (FAS) multigrid solver for cell-centered finite difference methods on block-structured, locally cartesian grids. The algorithm is essentially a standard adaptive FAS (AFAS) scheme, but with a simple modification that comes in the form of a mass-conservative correction to the coarse-level force. This correction is facilitated by the creation of a zombie variable, analogous to a ghost variable, but defined on the coarse grid and lying under the fine grid refinement patch. We show that a number of different types of fine-level ghost cell interpolation strategies could be used in our framework, including low-order linear interpolation. In our approach, the smoother, prolongation, and restriction operations need never be aware of the mass conservation conditions at the coarse-fine interface. To maintain global mass conservation, we need only modify the usual FAS algorithm by correcting the coarse-level force function at points adjacent to the coarse-fine interface. We demonstrate through simulations that the solver converges geometrically, at a rate that is h-independent, and we show the generality of the solver, applying it to several nonlinear, time-dependent, and multi-dimensional problems. In several tests, we show that second-order asymptotic (h → 0) convergence is observed for the discretizations, provided that (1) at least linear interpolation of the ghost variables is employed, and (2) the mass conservation corrections are applied to the coarse-level force term.

Optical properties of zirconium oxynitride films: The effect of composition, electronic and crystalline structures

NASA Astrophysics Data System (ADS)

Carvalho, P.; Borges, J.; Rodrigues, M. S.; Barradas, N. P.; Alves, E.; Espinós, J. P.; González-Elipe, A. R.; Cunha, L.; Marques, L.; Vasilevskiy, M. I.; Vaz, F.

2015-12-01

This work is devoted to the investigation of zirconium oxynitride (ZrOxNy) films with varied optical responses prompted by the variations in their compositional and structural properties. The films were prepared by dc reactive magnetron sputtering of Zr, using Ar and a reactive gas mixture of N2 + O2 (17:3). The colour of the films changed from metallic-like, very bright yellow-pale and golden yellow, for low gas flows to red-brownish for intermediate gas flows. Associated to this colour change there was a significant decrease of brightness. With further increase of the reactive gas flow, the colour of the samples changed from red-brownish to dark blue or even to interference colourations. The variations in composition disclosed the existence of four different zones, which were found to be closely related with the variations in the crystalline structure. XRD analysis revealed the change from a B1 NaCl face-centred cubic zirconium nitride-type phase for films prepared with low reactive gas flows, towards a poorly crystallized over-stoichiometric nitride phase, which may be similar to that of Zr3N4 with some probable oxygen inclusions within nitrogen positions, for films prepared with intermediate reactive gas flows. For high reactive gas flows, the films developed an oxynitride-type phase, similar to that of γ-Zr2ON2 with some oxygen atoms occupying some of the nitrogen positions, evolving to a ZrO2 monoclinic type structure within the zone where films were prepared with relatively high reactive gas flows. The analysis carried out by reflected electron energy loss spectroscopy (REELS) revealed a continuous depopulation of the d-band and an opening of an energy gap between the valence band (2p) and the Fermi level close to 5 eV. The ZrN-based coatings (zone I and II) presented intrinsic colourations, with a decrease in brightness and a colour change from bright yellow to golden yellow, red brownish and dark blue. Associated to these changes, there was also a shift of the reflectivity minimum to lower energies, with the increase of the non-metallic content. The samples lying in the two last zones (zone III, oxynitride and zone IV, oxide films) revealed a typical semi-transparent-optical behaviour showing interference-like colourations only due to the complete depopulation of the d band at the Fermi level. The samples lying in these zones presented also an increase of the optical bandgap from 2 to 3.6 eV.

Prioritising Progression over Proficiency: Limitations of Teacher-Based Assessment within Technician-Level Vocational Education

ERIC Educational Resources Information Center

Carter, Alan; Bathmaker, Ann-Marie

2017-01-01

This article examines the evolution of assessment policy and practice in technician-level vocational education. Using the example of an advanced-level BTEC National programme in Engineering in one college in the UK, the article highlights how the origins of current assessment practice lie in genuine concerns since the late 1950s about the…

Rare earth substitutional impurities in germanium: A hybrid density functional theory study

NASA Astrophysics Data System (ADS)

Igumbor, E.; Omotoso, E.; Tunhuma, S. M.; Danga, H. T.; Meyer, W. E.

2017-10-01

The Heyd, Scuseria, and Ernzerhof (HSE06) hybrid functional by means of density functional theory has been used to model the electronic and structural properties of rare earth (RE) substitutional impurities in germanium (REGe) . The formation and charge state transition energies for the REGe (RE = Ce, Pr, Er and Eu) were calculated. The energy of formation for the neutral charge state of the REGe lies between -0.14 and 3.13 eV. The formation energy result shows that the Pr dopant in Ge (PrGe) has the lowest formation energy of -0.14 eV, and is most energetically favourable under equilibrium conditions. The REGe induced charge state transition levels within the band gap of Ge. Shallow acceptor levels were induced by both the Eu (EuGe) and Pr (PrGe) dopants in Ge. The CeGe and ErGe exhibited properties of negative-U ordering with effective-U values of -0.85 and -1.07 eV, respectively.

Electronic and spectroscopic characterizations of SNP isomers

NASA Astrophysics Data System (ADS)

Trabelsi, Tarek; Al Mogren, Muneerah Mogren; Hochlaf, Majdi; Francisco, Joseph S.

2018-02-01

High-level ab initio electronic structure calculations were performed to characterize SNP isomers. In addition to the known linear SNP, cyc-PSN, and linear SPN isomers, we identified a fourth isomer, linear PSN, which is located ˜2.4 eV above the linear SNP isomer. The low-lying singlet and triplet electronic states of the linear SNP and SPN isomers were investigated using a multi-reference configuration interaction method and large basis set. Several bound electronic states were identified. However, their upper rovibrational levels were predicted to pre-dissociate, leading to S + PN, P + NS products, and multi-step pathways were discovered. For the ground states, a set of spectroscopic parameters were derived using standard and explicitly correlated coupled-cluster methods in conjunction with augmented correlation-consistent basis sets extrapolated to the complete basis set limit. We also considered scalar and core-valence effects. For linear isomers, the rovibrational spectra were deduced after generation of their 3D-potential energy surfaces along the stretching and bending coordinates and variational treatments of the nuclear motions.

Terahertz molecular resonance of cancer DNA.

PubMed

Cheon, Hwayeong; Yang, Hee-Jin; Lee, Sang-Hun; Kim, Young A; Son, Joo-Hiuk

2016-11-15

Carcinogenesis involves the chemical and structural alteration of biomolecules in cells. Aberrant methylation of DNA is a well-known carcinogenic mechanism and a common chemical modification of DNA. Terahertz waves can directly observe changes in DNA because the characteristic energies lie in the same frequency region. In addition, terahertz energy levels are not high enough to damage DNA by ionization. Here, we present terahertz molecular resonance fingerprints of DNA methylation in cancer DNA. Methylated cytidine, a nucleoside, has terahertz characteristic energies that give rise to the molecular resonance of methylation in DNA. Molecular resonance is monitored in aqueous solutions of genomic DNA from cancer cell lines using a terahertz time-domain spectroscopic technique. Resonance signals can be quantified to identify the types of cancer cells with a certain degree of DNA methylation. These measurements reveal the existence of molecular resonance fingerprints of cancer DNAs in the terahertz region, which can be utilized for the early diagnosis of cancer cells at the molecular level.

Type II shell evolution in A = 70 isobars from the N ≥ 40 island of inversion

NASA Astrophysics Data System (ADS)

Morales, A. I.; Benzoni, G.; Watanabe, H.; Tsunoda, Y.; Otsuka, T.; Nishimura, S.; Browne, F.; Daido, R.; Doornenbal, P.; Fang, Y.; Lorusso, G.; Patel, Z.; Rice, S.; Sinclair, L.; Söderström, P.-A.; Sumikama, T.; Wu, J.; Xu, Z. Y.; Yagi, A.; Yokoyama, R.; Baba, H.; Avigo, R.; Bello Garrote, F. L.; Blasi, N.; Bracco, A.; Camera, F.; Ceruti, S.; Crespi, F. C. L.; de Angelis, G.; Delattre, M.-C.; Dombradi, Zs.; Gottardo, A.; Isobe, T.; Kojouharov, I.; Kurz, N.; Kuti, I.; Matsui, K.; Melon, B.; Mengoni, D.; Miyazaki, T.; Modamio-Hoybjor, V.; Momiyama, S.; Napoli, D. R.; Niikura, M.; Orlandi, R.; Sakurai, H.; Sahin, E.; Sohler, D.; Schaffner, H.; Taniuchi, R.; Taprogge, J.; Vajta, Zs.; Valiente-Dobón, J. J.; Wieland, O.; Yalcinkaya, M.

2017-02-01

The level structures of 70Co and 70Ni, populated from the β decay of 70Fe, have been investigated using β-delayed γ-ray spectroscopy following in-flight fission of a 238U beam. The experimental results are compared to Monte-Carlo Shell-Model calculations including the pf +g9/2 +d5/2 orbitals. The strong population of a (1+) state at 274 keV in 70Co is at variance with the expected excitation energy of ∼1 MeV from near spherical single-particle estimates. This observation indicates a dominance of prolate-deformed intruder configurations in the low-lying levels, which coexist with the normal near spherical states. It is shown that the β decay of the neutron-rich A = 70 isobars from the new island of inversion to the Z = 28 closed-shell regime progresses in accordance with a newly reported type of shell evolution, the so-called Type II, which involves many particle-hole excitations across energy gaps.

Rovibrational bound states of SO2 isotopologues. II: Total angular momentum J = 11-20

NASA Astrophysics Data System (ADS)

Kumar, Praveen; Poirier, Bill

2015-11-01

In a two-part series, the rovibrational bound states of SO2 are investigated in comprehensive detail, for all four stable sulfur isotopes 32-34,36S. All low-lying rovibrational energy levels-both permutation-symmetry-allowed and not allowed-are computed, for all values of total angular momentum in the range J = 0-20. The calculations have carried out using the ScalIT suite of parallel codes. The present study (Paper II) examines the J = 11-20 rovibrational levels, providing symmetry and rovibrational labels for every computed state, relying on a new lambda-doublet splitting technique to make completely unambiguous assignments. Isotope shifts are analyzed, as is the validity of ;J-shifting; as a predictor of rotational fine structure. Among other ramifications, this work will facilitate understanding of mass-independent fractionation of sulfur isotopes (S-MIF) observed in the Archean rock record-particularly as this may have arisen from self shielding. S-MIF, in turn is highly relevant in the broader context of understanding the ;oxygen revolution;.

Terahertz molecular resonance of cancer DNA

NASA Astrophysics Data System (ADS)

Cheon, Hwayeong; Yang, Hee-Jin; Lee, Sang-Hun; Kim, Young A.; Son, Joo-Hiuk

2016-11-01

Carcinogenesis involves the chemical and structural alteration of biomolecules in cells. Aberrant methylation of DNA is a well-known carcinogenic mechanism and a common chemical modification of DNA. Terahertz waves can directly observe changes in DNA because the characteristic energies lie in the same frequency region. In addition, terahertz energy levels are not high enough to damage DNA by ionization. Here, we present terahertz molecular resonance fingerprints of DNA methylation in cancer DNA. Methylated cytidine, a nucleoside, has terahertz characteristic energies that give rise to the molecular resonance of methylation in DNA. Molecular resonance is monitored in aqueous solutions of genomic DNA from cancer cell lines using a terahertz time-domain spectroscopic technique. Resonance signals can be quantified to identify the types of cancer cells with a certain degree of DNA methylation. These measurements reveal the existence of molecular resonance fingerprints of cancer DNAs in the terahertz region, which can be utilized for the early diagnosis of cancer cells at the molecular level.

Women's Recreational Surfing: A Patronising Experience

ERIC Educational Resources Information Center

Olive, Rebecca; McCuaig, Louise; Phillips, Murray G.

2015-01-01

Research analysing the operation of power within sport and physical activity has exposed the marginalisation and exclusion of women's sport in explicit and institutionalised ways. However, for women in recreational and alternative physical activities like surfing, sporting experiences lie outside institutionalised structures, thus requiring…

Surrogate Agreement in Tzotzil.

ERIC Educational Resources Information Center

Aissen, Judith L.

This study investigates whether other relationships in sentence structure besides the "brother-in-law" relation sanction surrogate agreement in Zinacanteco Tzotzil (Mayan). Surrogate agreement refers to cases in which an element that lies outside the class of regular agreement controllers in a language (the surrogate) controls…

Communication Concepts and Perspectives.

ERIC Educational Resources Information Center

Thayer, Lee, Ed.

Communication is not only cross-cultural but interdisciplinary--in fact, even supradisciplinary. The problem of effective communication lies in coordinating various cognitive structures and in overcoming the lack of knowledge about an individual's perceptual mechanization. In this volume, some twenty-five contributors and discussants from five…

Continuation of down-hole geophysical testing for rock sockets : [technical summary].

DOT National Transportation Integrated Search

2013-11-01

The rock socket is critical to a drilled shaft : foundation because it lies within a rock stratum : and accounts for much of the capacity of the : foundational unit. Consistency of the rocks : structure and composition must be identifed : because ...

Predicting impact of SLR on coastal flooding in Banda Aceh coastal defences

NASA Astrophysics Data System (ADS)

Al'ala, Musa; Syamsidik, Kato, Shigeru

2017-10-01

Banda Aceh is a low-lying city located at the northern tip of Sumatra Island and situated at the conjuncture of Malacca Strait and the Andaman Sea. A Sea Level Rise (SLR) rate at 7 mm/year has been observed around this region. In the next 50 years, this city will face a serious challenge to encounter impacts of the sea level rise, such as frequent coastal floodings. This study is aimed at estimating impacts of the sea level rise induced coastal floodings on several types of coastal structures and city drainage system. Numerical simulations of Delft3D were applied to investigate the influence of the gradual sea level rise in 50 years. The hydrodynamic process of coastal flooding and sediment transport were simulated by Delft3D-Flow. Topography and bathymetry data were collected from GEBCO and updated with the available nautical chart (DISHIDROS, JICA, and field measurements). Hydrodynamic process gains the flow process revealing the level of the sea water intrusion also observed in the model. Main rivers (Krueng Aceh, Krueng Neng, and Alue Naga Flood Canal) and the drainage system were observed to see the tides effects on coastal structures and drainage system. The impact on coastal community focusing on affected area, shoreline retreat, the rate of sea intrusion was analyzed with spatial tools. New coastal line, coastal flooding vulnerable area, and the community susceptibility properties map influenced by 50 years sea level rise is produced. This research found that the city needs to address strategies to anticipate the exacerbating impacts of the sea level rise by managing its coastal spatial planning and modify its drainage system, especially at the drainage outlets.

Cisplatin Binding to Biological Ligands Revealed at the Encounter Complex Level by IR Action Spectroscopy.

PubMed

Corinti, Davide; Coletti, Cecilia; Re, Nazzareno; Chiavarino, Barbara; Crestoni, Maria Elisa; Fornarini, Simonetta

2016-03-07

Cisplatin [cis-diamminedichloroplatinum(II)] was the first platinum-based antineoplastic agent and is still a cornerstone for the treatment of various solid tumors. Reactive events responsible for cisplatin activity are unveiled here at the molecular level. Simple ligands (L) representing ubiquitous functional groups in the biological environment likely to be encountered by administered cisplatin have been allowed to react with cis-[PtCl(NH3)2 (H2O)](+), the primary intermediate from cisplatin hydrolysis. The substitution reactions have been examined by a combined experimental and computational approach and the structural features of the substitution product, cis-[PtCl(NH3)2(L)](+), have been probed by IR multiple-photon dissociation (IRMPD) spectroscopy. Furthermore, IRMPD spectroscopy has been exploited to elucidate the structure of [PtCl(NH3)2(L)(H2O)](+) clusters, also obtained by electrospray ionization (ESI) from the aqueous solution and representing the major focus of this investigation. These ions conform to the encounter complex of cis-[PtCl(NH3)2 (H2O)](+) with the incoming ligand and represent the first direct evidence of a prototypical Eigen-Wilkins encounter complex in solution, lying on the reaction coordinate for ligand substitution and extracted by ESI for mass spectrometric analysis. Activated [PtCl(NH3)2(L)(H2O)](+) ions dissociate by the loss of either H2O or L, the former process implying a ligand substitution event. IRMPD spectroscopy has thus revealed both structural details and reaction dynamics at the level of the isolated encounter complex. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Anharmonic Resonances among Low-Lying Vibrational Levels of Methyl Iso-Cyanide (H_3CNC)

NASA Astrophysics Data System (ADS)

Pracna, P.; Urban, J.; Urban, V. S.; Varga, J.; Horneman, V.-M.

2010-06-01

Vibrational levels up to 1000 wn of H_3C-N≡C are currently studied in FTIR spectra together with rotational transitions within these levels. This investigation comprises the low-lying excited vibrational levels of the CNC doubly degenerate bending vibration v8=1^± 1 (267.3 wn), v8=20,± 2 (524.6 wn (A), 545.3 wn (E)), and v8=3^± 1,± 3 (792.5 wn (A1+A2), 833.9 wn (E)), respectively, and the next higher fundamental level of the C-N valence vibration v4=1 (945 wn). All these vibrational levels exhibit cubic and quartic anharmonic resonances localized to moderate values of the rotational quantum number K≤10. Therefore the system of rovibrational levels has to be treated as a global polyad in order to describe all the available data quantitatively. The ground state constants have been improved considerably by extending the assignments to higher J/K rotational states both in the purely rotational spectra recorded in the ground vibrational level and in the ground state combination differences generated from the wavenumbers assigned in the fundamental ν_4 band. Similarities and differences with respect to isoelectronic molecules CH_3CN and CH_3CCH are discussed.

Impact of a structured intern education programme on clinical documentation in the emergency department.

PubMed

McLean, Andrew; Lawlor, Jenine; Mitchell, Rob; Kault, David; O'Kane, Carl; Lees, Michelle

2015-02-01

To evaluate the impact of More Learning for Interns in Emergency (MoLIE) on clinical documentation in the ED of a large regional hospital. MoLIE was implemented at The Townsville Hospital (TTH) in 2010, and has since provided ED interns with structured off-floor teaching and a dedicated clinical supervisor. A pre- and post-intervention study was conducted using retrospective medical record review methodology. Charts were selected by identifying all TTH ED patients seen by interns in the period 2008-2011. Two hundred pre-intervention records (2008-2009) and 200 post-intervention records (2010-2011) were reviewed. These were randomly selected following an initial screen by an ED staff specialist. The quality of clinical documentation for five common ED presentations (asthma, chest pain, lacerations, abdominal pain and upper limb fractures) was assessed. For each presentation, documentation quality was scored out of 10 using predefined criteria. An improvement of two or more was thought to be clinically significant. Mean scores for each group were compared using a Student's t-test for independent samples. Mean documentation scores (and 95% confidence intervals) were 5.55 (5.17-5.93) in 2008, 5.42 (4.98-5.86) in 2009, 6.37 (5.99-6.75) in 2010 and 6.08 (5.71-6.45) in 2011. There was a statistically but not clinically significant improvement in scores pre- and post-intervention (P ≤ 0.001). The introduction of MoLIE was associated with a small but statistically significant improvement in documentation, despite an 80% increase in intern placements. These results suggest that structured training programmes have potential to improve intern performance while simultaneously enhancing training capacity. The impact on quality of care requires further evaluation. © 2015 Australasian College for Emergency Medicine and Australasian Society for Emergency Medicine.

Dependency of high coastal water level and river discharge at the global scale

NASA Astrophysics Data System (ADS)

Ward, P.; Couasnon, A.; Haigh, I. D.; Muis, S.; Veldkamp, T.; Winsemius, H.; Wahl, T.

2017-12-01

It is widely recognized that floods cause huge socioeconomic impacts. From 1980-2013, global flood losses exceeded $1 trillion, with 220,000 fatalities. These impacts are particularly hard felt in low-lying densely populated deltas and estuaries, whose location at the coast-land interface makes them naturally prone to flooding. When river and coastal floods coincide, their impacts in these deltas and estuaries are often worse than when they occur in isolation. Such floods are examples of so-called `compound events'. In this contribution, we present the first global scale analysis of the statistical dependency of high coastal water levels (and the storm surge component alone) and river discharge. We show that there is statistical dependency between these components at more than half of the stations examined. We also show time-lags in the highest correlation between peak discharges and coastal water levels. Finally, we assess the probability of the simultaneous occurrence of design discharge and design coastal water levels, assuming both independence and statistical dependence. For those stations where we identified statistical dependency, the probability is between 1 and 5 times greater, when the dependence structure is accounted for. This information is essential for understanding the likelihood of compound flood events occurring at locations around the world as well as for accurate flood risk assessments and effective flood risk management. The research was carried out by analysing the statistical dependency between observed coastal water levels (and the storm surge component) from GESLA-2 and river discharge using gauged data from GRDC stations all around the world. The dependence structure was examined using copula functions.

Surface physicochemical properties and decay of the low-lying isomer in the 229Th nucleus

NASA Astrophysics Data System (ADS)

Borisyuk, P. V.; Kurel'chuk, U. N.; Vasil'ev, O. S.; Troyan, V. I.; Lebedinskii, Yu Yu; Tkalya, E. V.

2018-05-01

The effect of the 229Th nucleus proximity to the CsI surface on the decay probability of its anomalously low lying isomeric level is studied. Results of experimental and theoretical studies show that the CsI surface does not produce chemical bonding with Th and does not noticeably change its valence shells. Hence, it is an optimal substrate for measuring the probability of the 229Th isomer state decay via internal electron conversion. The half-life of the 229Thm isomer in the thorium atom is calculated for neutral chemical environment.

"Very simple. I just don't lie": The role of honesty in Black lesbian K-12 teachers' experiences in the U.S. Southeast.

PubMed

Ford, Jillian Carter

2017-10-02

I conducted semi-structured interviews with eight self-identified Black lesbian classroom teachers. Seven participants taught in three districts in the same large metropolitan area in the U.S. Southeast; one participant taught in a smaller city in a bordering state. In response to the vague prompt to describe the intersections between their sexuality and their schooling experiences as a teacher, every participant spoke explicitly about her unwillingness to lie about her sexuality if asked. In this article, I argue that honesty is a critical component of Black women's experiences, the necessity of which can be tied to womanism.

T-duality, non-geometry and Lie algebroids in heterotic double field theory

NASA Astrophysics Data System (ADS)

Blumenhagen, Ralph; Sun, Rui

2015-02-01

A number of issues in heterotic double field theory are studied. This includes the analysis of the T-dual configurations of a flat constant gauge flux background, which turn out to be non-geometric. Performing a field redefinition to a non-geometric frame, these T-duals take a very simple form reminiscent of the constant Q- and R-flux backgrounds. In addition, it is shown how the analysis of arXiv:1304.2784 generalizes to heterotic generalized geometry. For every field redefinition specified by an O( D, D + n) transformation, the structure of the resulting supergravity action is governed by the differential geometry of a corresponding Lie algebroid.

A numerical study of the thermal stability of low-lying coronal loops

NASA Technical Reports Server (NTRS)

Klimchuk, J. A.; Antiochos, S. K.; Mariska, J. T.

1986-01-01

The nonlinear evolution of loops that are subjected to a variety of small but finite perturbations was studied. Only the low-lying loops are considered. The analysis was performed numerically using a one-dimensional hydrodynamical model developed at the Naval Research Laboratory. The computer codes solve the time-dependent equations for mass, momentum, and energy transport. The primary interest is the active region filaments, hence a geometry appropriate to those structures was considered. The static solutions were subjected to a moderate sized perturbation and allowed to evolve. The results suggest that both hot and cool loops of the geometry considered are thermally stable against amplitude perturbations of all kinds.

Forging Ahead through Darkness: PCNA, Still the Principal Conductor at the Replication Fork.

PubMed

Choe, Katherine N; Moldovan, George-Lucian

2017-02-02

Proliferating cell nuclear antigen (PCNA) lies at the center of the faithful duplication of eukaryotic genomes. With its distinctive doughnut-shaped molecular structure, PCNA was originally studied for its role in stimulating DNA polymerases. However, we now know that PCNA does much more than promote processive DNA synthesis. Because of the complexity of the events involved, cellular DNA replication poses major threats to genomic integrity. Whatever predicament lies ahead for the replication fork, PCNA is there to orchestrate the events necessary to handle it. Through its many protein interactions and various post-translational modifications, PCNA has far-reaching impacts on a myriad of cellular functions. Copyright © 2017 Elsevier Inc. All rights reserved.

Structural and functional brain changes in early- and mid-stage primary open-angle glaucoma using voxel-based morphometry and functional magnetic resonance imaging.

PubMed

Jiang, Ming-Ming; Zhou, Qing; Liu, Xiao-Yong; Shi, Chang-Zheng; Chen, Jian; Huang, Xiang-He

2017-03-01

To investigate structural and functional brain changes in patients with primary open-angle glaucoma (POAG) by using voxel-based morphometry based on diffeomorphic anatomical registration through exponentiated Lie algebra (VBM-DARTEL) and blood oxygenation level dependent functional magnetic resonance imaging (BOLD-fMRI), respectively.Thirteen patients diagnosed with POAG and 13 age- and sex-matched healthy controls were enrolled in the study. For each participant, high-resolution structural brain imaging and blood flow imaging were acquired on a 3.0-Tesla magnetic resonance imaging (MRI) scanner. Structural and functional changes between the POAG and control groups were analyzed. An analysis was carried out to identify correlations between structural and functional changes acquired in the previous analysis and the retinal nerve fiber layer (RNFL).Patients in the POAG group showed a significant (P < 0.001) volume increase in the midbrain, left brainstem, frontal gyrus, cerebellar vermis, left inferior parietal lobule, caudate nucleus, thalamus, precuneus, and Brodmann areas 7, 18, and 46. Moreover, significant (P < 0.001) BOLD signal changes were observed in the right supramarginal gyrus, frontal gyrus, superior frontal gyrus, left inferior parietal lobule, left cuneus, and left midcingulate area; many of these regions had high correlations with the RNFL.Patients with POAG undergo widespread and complex changes in cortical brain structure and blood flow. (ClinicalTrials.gov number: NCT02570867).

Impacts of the 2011 Tohoku-oki tsunami along the Sendai coast protected by hard and soft seawalls; interpretations of satellite images, helicopter-borne video footage and field studies

NASA Astrophysics Data System (ADS)

Tappin, D. R.; Jordan, H. M.; Jordan, C. J.; Richmond, B. M.; Sugawara, D.; Goto, K.

2012-12-01

A combination of time-series satellite imagery, helicopter-borne video footage and field observation is used to identify the impact of a major tsunami on a low-lying coastal zone located in eastern Japan. A comparison is made between the coast protected by hard sea walls and the coast without. Changes to the coast are mapped from before and after imagery, and sedimentary processes identified from the video footage. The results are validated by field observations. The impact along a 'natural' coast, with minimal defences, is erosion focussed on the back beach. There is little erosion (or sedimentation) of the whole beach, and where active, erosion mainly forms V-shaped channels that are initiated during the tsunami flood and then further developed during backwash. Enigmatic, short lived, 'strand lines' are attributed to the slow fall of sea level after such a major tsunami. Backwash on such a low lying area takes place as sheet flood immediately after tsunami flooding has ceased, and then subsequently, when the water level landward of coastal ridges falls below their elevation, becomes confined to channels formed on the coastal margin by the initial tsunami impact. Immediately after the tsunami coastal reconstruction begins, sourced from the sediment recently flushed into the sea by tsunami backwash. Hard engineering structures are found to be small defence against highly energetic tsunami waves that overtop them. The main cause of damage is scouring at the landward base of concrete-faced embankments constructed to defend the coast from erosion, that results in foundation-weakening and collapse.

Structural framework and hydrocarbon potential of Ross Sea, Antarctica

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

Cooper, A.K.; Davey, F.J.

The 400 to 1100-m deep continental shelf of the Ross Sea is underlain by three major sedimentary basins (Eastern basin, Central trough, and Victoria Land basin), which contain 5 to 6 km of sedimentary rock of Late Cretaceous(.) and younger age. An addition 6 to 7 km of older sedimentary and volcanic rocks lie within the Victoria Land basin. Eroded basement ridges of early Paleozoic(.) and older rocks similar to those of onshore Victoria Land separate the basins. The three basins formed initially in late Mesozoic time during an early period of rifting between East and West Antarctica. The Easternmore » basin is a 300-km wide, asymmetric basement trough that structurally opens into the Southern Ocean. A seaward-prograding sequence of late Oligocene and younger glacial deposits covers a deeper, layered sequence of Paleogene(.) and older age. The Central trough, a 100-km wide depression, is bounded by basement block faults and is filled with a nearly flat-lying sedimentary section. A prominent positive gravity anomaly, possibly caused by rift-related basement rocks, lies along the axis of the basin. The Victoria Land basin, unlike the other two basins, additionally contains a Paleogene(.) to Holocene rift zone, the Terror Rift. Rocks in the rift, near the axis of the 150-km wide basement half-graben, show extensive shallow faulting and magmatic intrusion of the sedimentary section. The active Terror rift and older basin structures extend at least 300 km along the base of the Transantarctic Mountains. Petroleum hydrocarbons have not been reported in the Ross Sea region, with possible exception of ethane gas found in Deep Sea Drilling Project cores from the Eastern basin. Model studies indicate that hydrocarbons could be generated at depths of 3.5 to 6 km within the sedimentary section. The best structures for hydrocarbon entrapment occur in the Victoria Land basin and associated Terror Rift.« less

a Computational Tddft Study on Intramolecular Charge Transfer in Di-Tert and 2,4,6-TRICYANOANILINES.

NASA Astrophysics Data System (ADS)

Fujiwara, Takashige; Zgierski, Marek Z.

2014-06-01

We have carried out TDDFT computational studies on the low-lying excited states of di-tert-butylaminobenzonitrile and 2,4,6-tricyanoaniline compounds that exhibit unusual photophysical behaviors associated with the intramolecular charge transfer (ICT). For both 3- and 4-di-tert-butylamino)benzonitriles (m-DTBABN and p-DTBABN, respectively) show the ICT formation, and p-DTBABN appears to be the only meta-substituted aminobenzonitrile that exhibits the ICT formation. The TDDFT calculations indicate evidence that the ultrafast ICT formation in p-DTBABN and m-DTBABN is due to the sequential state switches: ππ*(La)→ πσ*→ ICT in the presence of conical intersections among the three closely-lying excited-states. On the other hand, 2,4,6-tricyanoaniline does not show clear evidence for the LE (locally excited) state → ICT state formation from steady-state fluorescence studies, despite the greater electron acceptor strength of tricycanobenzene as compared to monocyanobenzene, which is part of a 4-(dimethylamino)benzonitrile (p-DMABN) compound. However, it is predicted that 2,4,6-tricyano-N,N-dimethylaniline (TCDMA), but not 2,4,6-tricyanoaniline (TCA), possesses two ICT states, which show the ICT-characterized quinoidal structures and lie below the initially photo-excited S1(ππ*) state. The CC2 calculations further predict two conformers as labeled with quinoidal (ICT--Q) and anti-quinoidal (ICT--AQ) structures are rapidly interconnecting with each other. The lower energy ICT--Q structure tends to be populated from the unstable ICT--AQ structure, which is responsible for the observed time-resolved fluorescence as well as the excited-state absorption from the mixed S1(ππ*)/ICT state of TCDMA. In both cases for TCDMA and TCA, the πσ* state locates significantly higher in energy than the S1(ππ*) state (and the ICT state for TCA), thus precluding the πσ*→ ICT formation, which is believed to occur in a p-DMABN in polar environments.

A variational treatment of material configurations with application to interface motion and microstructural evolution

NASA Astrophysics Data System (ADS)

Teichert, Gregory H.; Rudraraju, Shiva; Garikipati, Krishna

2017-02-01

We present a unified variational treatment of evolving configurations in crystalline solids with microstructure. The crux of our treatment lies in the introduction of a vector configurational field. This field lies in the material, or configurational, manifold, in contrast with the traditional displacement field, which we regard as lying in the spatial manifold. We identify two distinct cases which describe (a) problems in which the configurational field's evolution is localized to a mathematically sharp interface, and (b) those in which the configurational field's evolution can extend throughout the volume. The first case is suitable for describing incoherent phase interfaces in polycrystalline solids, and the latter is useful for describing smooth changes in crystal structure and naturally incorporates coherent (diffuse) phase interfaces. These descriptions also lead to parameterizations of the free energies for the two cases, from which variational treatments can be developed and equilibrium conditions obtained. For sharp interfaces that are out-of-equilibrium, the second law of thermodynamics furnishes restrictions on the kinetic law for the interface velocity. The class of problems in which the material undergoes configurational changes between distinct, stable crystal structures are characterized by free energy density functions that are non-convex with respect to configurational strain. For physically meaningful solutions and mathematical well-posedness, it becomes necessary to incorporate interfacial energy. This we have done by introducing a configurational strain gradient dependence in the free energy density function following ideas laid out by Toupin (1962, Elastic materials with couple-stresses. Arch. Ration. Mech. Anal., 11, 385-414). The variational treatment leads to a system of partial differential equations governing the configuration that is coupled with the traditional equations of nonlinear elasticity. The coupled system of equations governs the configurational change in crystal structure, and elastic deformation driven by elastic, Eshelbian, and configurational stresses. Numerical examples are presented to demonstrate interface motion as well as evolving microstructures of crystal structures.

A variational treatment of material configurations with application to interface motion and microstructural evolution

DOE PAGES

Teichert, Gregory H.; Rudraraju, Shiva; Garikipati, Krishna

2016-11-20

We present a unified variational treatment of evolving configurations in crystalline solids with microstructure. The crux of our treatment lies in the introduction of a vector configurational field. This field lies in the material, or configurational, manifold, in contrast with the traditional displacement field, which we regard as lying in the spatial manifold. We identify two distinct cases which describe (a) problems in which the configurational field's evolution is localized to a mathematically sharp interface, and (b) those in which the configurational field's evolution can extend throughout the volume. The first case is suitable for describing incoherent phase interfaces inmore » polycrystalline solids, and the latter is useful for describing smooth changes in crystal structure and naturally incorporates coherent (diffuse) phase interfaces. These descriptions also lead to parameterizations of the free energies for the two cases, from which variational treatments can be developed and equilibrium conditions obtained. For sharp interfaces that are out-of-equilibrium, the second law of thermodynamics furnishes restrictions on the kinetic law for the interface velocity. The class of problems in which the material undergoes configurational changes between distinct, stable crystal structures are characterized by free energy density functions that are non-convex with respect to configurational strain. For physically meaningful solutions and mathematical well-posedness, it becomes necessary to incorporate interfacial energy. This we have done by introducing a configurational strain gradient dependence in the free energy density function following ideas laid out by Toupin (Arch. Rat. Mech. Anal., 11, 1962, 385-414). The variational treatment leads to a system of partial differential equations governing the configuration that is coupled with the traditional equations of nonlinear elasticity. The coupled system of equations governs the configurational change in crystal structure, and elastic deformation driven by elastic, Eshelbian, and configurational stresses. As a result, numerical examples are presented to demonstrate interface motion as well as evolving microstructures of crystal structures.« less

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

Girsova, S. L., E-mail: girs@ispms.tsc.ru; Poletika, T. M., E-mail: poletm@ispms.tsc.ru; Meisner, S. N., E-mail: msn@ispms.tsc.ru

The study was carried on for the single NiTi crystals subjected to the Si-ion beam implantation. Using the transmission electron microscopy technique (TEM), the surface layer structure [111]{sub B2} was examined for the treated material. The modified near-surface sublayers were found to have different composition. Thus the uppermost sublayer contained mostly oxides; the lower-lying modified sublayer material was in an amorphous state and the thin underlying sublayer had a defect structure.

Discovery of a Recursive Principle: An Artificial Grammar Investigation of Human Learning of a Counting Recursion Language

PubMed Central

Cho, Pyeong Whan; Szkudlarek, Emily; Tabor, Whitney

2016-01-01

Learning is typically understood as a process in which the behavior of an organism is progressively shaped until it closely approximates a target form. It is easy to comprehend how a motor skill or a vocabulary can be progressively learned—in each case, one can conceptualize a series of intermediate steps which lead to the formation of a proficient behavior. With grammar, it is more difficult to think in these terms. For example, center embedding recursive structures seem to involve a complex interplay between multiple symbolic rules which have to be in place simultaneously for the system to work at all, so it is not obvious how the mechanism could gradually come into being. Here, we offer empirical evidence from a new artificial language (or “artificial grammar”) learning paradigm, Locus Prediction, that, despite the conceptual conundrum, recursion acquisition occurs gradually, at least for a simple formal language. In particular, we focus on a variant of the simplest recursive language, anbn, and find evidence that (i) participants trained on two levels of structure (essentially ab and aabb) generalize to the next higher level (aaabbb) more readily than participants trained on one level of structure (ab) combined with a filler sentence; nevertheless, they do not generalize immediately; (ii) participants trained up to three levels (ab, aabb, aaabbb) generalize more readily to four levels than participants trained on two levels generalize to three; (iii) when we present the levels in succession, starting with the lower levels and including more and more of the higher levels, participants show evidence of transitioning between the levels gradually, exhibiting intermediate patterns of behavior on which they were not trained; (iv) the intermediate patterns of behavior are associated with perturbations of an attractor in the sense of dynamical systems theory. We argue that all of these behaviors indicate a theory of mental representation in which recursive systems lie on a continuum of grammar systems which are organized so that grammars that produce similar behaviors are near one another, and that people learning a recursive system are navigating progressively through the space of these grammars. PMID:27375543

A 3-level Bayesian mixed effects location scale model with an application to ecological momentary assessment data.

PubMed

Lin, Xiaolei; Mermelstein, Robin J; Hedeker, Donald

2018-06-15

Ecological momentary assessment studies usually produce intensively measured longitudinal data with large numbers of observations per unit, and research interest is often centered around understanding the changes in variation of people's thoughts, emotions and behaviors. Hedeker et al developed a 2-level mixed effects location scale model that allows observed covariates as well as unobserved variables to influence both the mean and the within-subjects variance, for a 2-level data structure where observations are nested within subjects. In some ecological momentary assessment studies, subjects are measured at multiple waves, and within each wave, subjects are measured over time. Li and Hedeker extended the original 2-level model to a 3-level data structure where observations are nested within days and days are then nested within subjects, by including a random location and scale intercept at the intermediate wave level. However, the 3-level random intercept model assumes constant response change rate for both the mean and variance. To account for changes in variance across waves, as well as clustering attributable to waves, we propose a more comprehensive location scale model that allows subject heterogeneity at baseline as well as across different waves, for a 3-level data structure where observations are nested within waves and waves are then further nested within subjects. The model parameters are estimated using Markov chain Monte Carlo methods. We provide details on the Bayesian estimation approach and demonstrate how the Stan statistical software can be used to sample from the desired distributions and achieve consistent estimates. The proposed model is validated via a series of simulation studies. Data from an adolescent smoking study are analyzed to demonstrate this approach. The analyses clearly favor the proposed model and show significant subject heterogeneity at baseline as well as change over time, for both mood mean and variance. The proposed 3-level location scale model can be widely applied to areas of research where the interest lies in the consistency in addition to the mean level of the responses. Copyright © 2018 John Wiley & Sons, Ltd.

Discovery of a Recursive Principle: An Artificial Grammar Investigation of Human Learning of a Counting Recursion Language.

PubMed

Cho, Pyeong Whan; Szkudlarek, Emily; Tabor, Whitney

2016-01-01

Learning is typically understood as a process in which the behavior of an organism is progressively shaped until it closely approximates a target form. It is easy to comprehend how a motor skill or a vocabulary can be progressively learned-in each case, one can conceptualize a series of intermediate steps which lead to the formation of a proficient behavior. With grammar, it is more difficult to think in these terms. For example, center embedding recursive structures seem to involve a complex interplay between multiple symbolic rules which have to be in place simultaneously for the system to work at all, so it is not obvious how the mechanism could gradually come into being. Here, we offer empirical evidence from a new artificial language (or "artificial grammar") learning paradigm, Locus Prediction, that, despite the conceptual conundrum, recursion acquisition occurs gradually, at least for a simple formal language. In particular, we focus on a variant of the simplest recursive language, a (n) b (n) , and find evidence that (i) participants trained on two levels of structure (essentially ab and aabb) generalize to the next higher level (aaabbb) more readily than participants trained on one level of structure (ab) combined with a filler sentence; nevertheless, they do not generalize immediately; (ii) participants trained up to three levels (ab, aabb, aaabbb) generalize more readily to four levels than participants trained on two levels generalize to three; (iii) when we present the levels in succession, starting with the lower levels and including more and more of the higher levels, participants show evidence of transitioning between the levels gradually, exhibiting intermediate patterns of behavior on which they were not trained; (iv) the intermediate patterns of behavior are associated with perturbations of an attractor in the sense of dynamical systems theory. We argue that all of these behaviors indicate a theory of mental representation in which recursive systems lie on a continuum of grammar systems which are organized so that grammars that produce similar behaviors are near one another, and that people learning a recursive system are navigating progressively through the space of these grammars.

The principles of collective animal behaviour

PubMed Central

Sumpter, D.J.T

2005-01-01

In recent years, the concept of self-organization has been used to understand collective behaviour of animals. The central tenet of self-organization is that simple repeated interactions between individuals can produce complex adaptive patterns at the level of the group. Inspiration comes from patterns seen in physical systems, such as spiralling chemical waves, which arise without complexity at the level of the individual units of which the system is composed. The suggestion is that biological structures such as termite mounds, ant trail networks and even human crowds can be explained in terms of repeated interactions between the animals and their environment, without invoking individual complexity. Here, I review cases in which the self-organization approach has been successful in explaining collective behaviour of animal groups and societies. Ant pheromone trail networks, aggregation of cockroaches, the applause of opera audiences and the migration of fish schools have all been accurately described in terms of individuals following simple sets of rules. Unlike the simple units composing physical systems, however, animals are themselves complex entities, and other examples of collective behaviour, such as honey bee foraging with its myriad of dance signals and behavioural cues, cannot be fully understood in terms of simple individuals alone. I argue that the key to understanding collective behaviour lies in identifying the principles of the behavioural algorithms followed by individual animals and of how information flows between the animals. These principles, such as positive feedback, response thresholds and individual integrity, are repeatedly observed in very different animal societies. The future of collective behaviour research lies in classifying these principles, establishing the properties they produce at a group level and asking why they have evolved in so many different and distinct natural systems. Ultimately, this research could inform not only our understanding of animal societies, but also the principles by which we organize our own society. PMID:16553306

The principles of collective animal behaviour.

PubMed

Sumpter, D J T

2006-01-29

In recent years, the concept of self-organization has been used to understand collective behaviour of animals. The central tenet of self-organization is that simple repeated interactions between individuals can produce complex adaptive patterns at the level of the group. Inspiration comes from patterns seen in physical systems, such as spiralling chemical waves, which arise without complexity at the level of the individual units of which the system is composed. The suggestion is that biological structures such as termite mounds, ant trail networks and even human crowds can be explained in terms of repeated interactions between the animals and their environment, without invoking individual complexity. Here, I review cases in which the self-organization approach has been successful in explaining collective behaviour of animal groups and societies. Ant pheromone trail networks, aggregation of cockroaches, the applause of opera audiences and the migration of fish schools have all been accurately described in terms of individuals following simple sets of rules. Unlike the simple units composing physical systems, however, animals are themselves complex entities, and other examples of collective behaviour, such as honey bee foraging with its myriad of dance signals and behavioural cues, cannot be fully understood in terms of simple individuals alone. I argue that the key to understanding collective behaviour lies in identifying the principles of the behavioural algorithms followed by individual animals and of how information flows between the animals. These principles, such as positive feedback, response thresholds and individual integrity, are repeatedly observed in very different animal societies. The future of collective behaviour research lies in classifying these principles, establishing the properties they produce at a group level and asking why they have evolved in so many different and distinct natural systems. Ultimately, this research could inform not only our understanding of animal societies, but also the principles by which we organize our own society.

Department Level Information Resource Management: A Theoretical Argument for a Decentralized Approach.

ERIC Educational Resources Information Center

Beath, Cynthia Mathis; Straub, Detmar W.

1991-01-01

Explores where the responsibility for information resources management (IRM) can lie, identifying entities which might carry IRM tasks: (1) individuals; (2) departments; (3) institutions; and (4) markets. It is argued that the IRM function should be located at the department level, and that associated departmental costs may be overshadowed by the…

Readability: Theory and Practice.

ERIC Educational Resources Information Center

Wells, Barron; Spinks, Nelda

1991-01-01

Investigates readability levels of correspondence sent out by Gulf Coast area business offices. Finds that a large majority of the correspondence sent out from the offices under study is written at too high a reading level. Finds also that the greatest problem lies in syllable intensity--the use of "big" words where everyday words would have…

Theory of mind deficits for processing counterfactual information in persons with chronic schizophrenia.

PubMed

Kern, R S; Green, M F; Fiske, A P; Kee, K S; Lee, J; Sergi, M J; Horan, W P; Subotnik, K L; Sugar, C A; Nuechterlein, K H

2009-04-01

Interpersonal communication problems are common among persons with schizophrenia and may be linked, in part, to deficits in theory of mind (ToM), the ability to accurately perceive the attitudes, beliefs and intentions of others. Particular difficulties might be expected in the processing of counterfactual information such as sarcasm or lies. The present study included 50 schizophrenia or schizo-affective out-patients and 44 demographically comparable healthy adults who were administered Part III of The Awareness of Social Inference Test (TASIT; a measure assessing comprehension of sarcasm versus lies) as well as measures of positive and negative symptoms and community functioning. TASIT data were analyzed using a 2 (group: patients versus healthy adults) x 2 (condition: sarcasm versus lie) repeated-measures ANOVA. The results show significant effects for group, condition, and the group x condition interaction. Compared to controls, patients performed significantly worse on sarcasm but not lie scenes. Within-group contrasts showed that patients performed significantly worse on sarcasm versus lie scenes; controls performed comparably on both. In patients, performance on TASIT showed a significant correlation with positive, but not negative, symptoms. The group and interaction effects remained significant when rerun with a subset of patients with low-level positive symptoms. The findings for a relationship between TASIT performance and community functioning were essentially negative. The findings replicate a prior demonstration of difficulty in the comprehension of sarcasm using a different test, but are not consistent with previous studies showing global ToM deficits in schizophrenia.

What Lies Behind Deschooling?

ERIC Educational Resources Information Center

Petrovsky, Arthur V.

1976-01-01

The author examines current opinions that schools inhibit progress and that education is conservative, consolidates inequality among people, and passes on outdated information. Freedom of choice in the direction of education is supported, but a need is seen for a structured system of teaching how to learn. (AV)

STREAMFINDER - I. A new algorithm for detecting stellar streams

NASA Astrophysics Data System (ADS)

Malhan, Khyati; Ibata, Rodrigo A.

2018-07-01

We have designed a powerful new algorithm to detect stellar streams in an automated and systematic way. The algorithm, which we call the STREAMFINDER, is well suited for finding dynamically cold and thin stream structures that may lie along any simple or complex orbits in Galactic stellar surveys containing any combination of positional and kinematic information. In the present contribution, we introduce the algorithm, lay out the ideas behind it, explain the methodology adopted to detect streams, and detail its workings by running it on a suite of simulations of mock Galactic survey data of similar quality to that expected from the European Space Agency/Gaia mission. We show that our algorithm is able to detect even ultra-faint stream features lying well below previous detection limits. Tests show that our algorithm will be able to detect distant halo stream structures >10° long containing as few as ˜15 members (ΣG ˜ 33.6 mag arcsec-2) in the Gaia data set.

Exclusive single pion electroproduction off the proton in the high-lying resonances at Q2 < 5 GeV2 from CLAS

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

Park, Kijun

The differential cross sections and structure functions for the exclusive electroproduction process ep --> e'n pi+ were measured in the range of the invariantmass for the np+ system 1.6 GeV lte W lte 2.0 GeV, and the photon virtuality 1.8 GeV2 lte Q2 lte 4.0 GeV2 using CLAS at Jefferson Lab. For the first time, these kinematics are probed in the exclusive p+ production from the protons with nearly full coverage in the azimuthal and polar angles of the np+ center-of-mass system. In this analysis, approximately 39,000 differential cross-section data points in terms of W, Q2, cosq theta* _ pi,more » and phi*_p-, were obtained. The preliminary differential cross section and structure function analyses are carried out, which allow us to extract the helicity amplitudes in high-lying resonances.« less

The GSAM software: A global search algorithm of minima exploration for the investigation of low lying isomers of clusters

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

Marchal, Rémi; Carbonnière, Philippe; Pouchan, Claude

2015-01-22

The study of atomic clusters has become an increasingly active area of research in the recent years because of the fundamental interest in studying a completely new area that can bridge the gap between atomic and solid state physics. Due to their specific properties, such compounds are of great interest in the field of nanotechnology [1,2]. Here, we would present our GSAM algorithm based on a DFT exploration of the PES to find the low lying isomers of such compounds. This algorithm includes the generation of an intial set of structure from which the most relevant are selected. Moreover, anmore » optimization process, called raking optimization, able to discard step by step all the non physically reasonnable configurations have been implemented to reduce the computational cost of this algorithm. Structural properties of Ga{sub n}Asm clusters will be presented as an illustration of the method.« less

Learning to Lie: Effects of Practice on the Cognitive Cost of Lying

PubMed Central

Van Bockstaele, B.; Verschuere, B.; Moens, T.; Suchotzki, Kristina; Debey, Evelyne; Spruyt, Adriaan

2012-01-01

Cognitive theories on deception posit that lying requires more cognitive resources than telling the truth. In line with this idea, it has been demonstrated that deceptive responses are typically associated with increased response times and higher error rates compared to truthful responses. Although the cognitive cost of lying has been assumed to be resistant to practice, it has recently been shown that people who are trained to lie can reduce this cost. In the present study (n = 42), we further explored the effects of practice on one’s ability to lie by manipulating the proportions of lie and truth-trials in a Sheffield lie test across three phases: Baseline (50% lie, 50% truth), Training (frequent-lie group: 75% lie, 25% truth; control group: 50% lie, 50% truth; and frequent-truth group: 25% lie, 75% truth), and Test (50% lie, 50% truth). The results showed that lying became easier while participants were trained to lie more often and that lying became more difficult while participants were trained to tell the truth more often. Furthermore, these effects did carry over to the test phase, but only for the specific items that were used for the training manipulation. Hence, our study confirms that relatively little practice is enough to alter the cognitive cost of lying, although this effect does not persist over time for non-practiced items. PMID:23226137

Structures, vibrational frequencies, and infrared spectra of the hexa-hydrated benzene clusters

NASA Astrophysics Data System (ADS)

Lee, Jin Yong; Kim, Jongseob; Lee, Han Myoung; Tarakeshwar, P.; Kim, Kwang S.

2000-10-01

The water hexamer is known to have a number of isoenergetic structures. The first experimental identification of the O-H stretching vibrational spectra of the water hexamer was done in the presence of benzene. It was followed by the identification of the pure water hexamer structure by vibration-rotational tunneling (VRT) spectroscopy. Although both experiments seem to have located only the Cage structure, the structure of the benzene-water hexamer complex is not clearly known, and the effect of benzene in the water hexamer is unclear. In particular, it is not obvious how the energy difference between nearly isoenergetic water hexamer conformers changes in the presence of benzene. Thus, we have compared the benzene complexes with four low-lying isoenergetic water hexamers, Ring, Book, Cage, and Prism structures, using ab initio calculations. We also investigated the effects of the presence of benzene on the structures, harmonic vibrational frequencies, and infrared (IR) intensities for the four low-lying energy conformers. There is little change in the structure of the water hexamer upon its interaction with the benzene molecule. Hence the deformation energies are very small. The dominant contribution to the benzene-water cluster interaction mainly comes from the π-H interactions between benzene and a single water molecule. As a result of this π-H interaction, O-Hπ bond length increases and the corresponding stretching vibrational frequencies are redshifted. The IR spectral features of both (H2O)6 and benzene-(H2O)6 are quite similar. From both the energetics and the comparison of calculated and experimental spectra of the benzene-(H2O)6, the water structure in these complexes is found to have the Cage form. In particular, among the four different Cage structures, only one conformer matches the experimental O-H vibrational frequencies.

Bioacoustic and multi-locus DNA data of Ninox owls support high incidence of extinction and recolonisation on small, low-lying islands across Wallacea.

PubMed

Gwee, Chyi Yin; Christidis, Les; Eaton, James A; Norman, Janette A; Trainor, Colin R; Verbelen, Philippe; Rheindt, Frank E

2017-04-01

Known for their rich biodiversity and high level of endemism, the islands of Wallacea serve as natural laboratories for the study of spatio-temporal evolution and patterns of species diversification. Our study focuses on the owl genus Ninox, particularly the Southern Boobook (N. novaeseelandiae) and Moluccan Boobook (N. squamipila) complexes, which are widely distributed across Australasia. We conducted bioacoustic and multi-locus DNA analyses of 24 Ninox owl taxa to evaluate relationships and levels of divergence within the two complexes and ultimately assess the relationship between patterns of taxonomic differentiation and bioclimatic factors. We found that taxa that are vocally and/or genetically distinct from populations on the Australian mainland are found on islands that are significantly larger and higher in altitude than taxa that are vocally and/or genetically indistinct from populations on the Australian mainland. This pattern suggests that taxa occurring on small, low-lying Wallacean islands are likely to be recent colonisers that have dispersed from Australia. Overall, our observations demonstrate that the genus Ninox is likely to have colonised the Wallacean region multiple times as small, low-lying islands undergo frequent extinction, whereas populations on large and high-altitude islands are more resilient. Copyright © 2017 Elsevier Inc. All rights reserved.

A study of electron transfer using a three-level system coupled to an ohmic bath

NASA Technical Reports Server (NTRS)

Takasu, Masako; Chandler, David

1993-01-01

Electron transfer is studied using a multi-level system coupled to a bosonic bath. Two body correlation functions are obtained using both exact enumeration of spin paths and Monte Carlo simulation. It was found that the phase boundary for the coherent-incoherent transition lies at a smaller friction in the asymmetric two-level model than in the symmetric two-level model. A similar coherent-incoherent transition is observed for three-level system.

ORGANIC GEOCHEMICAL STUDIES. I. MOLECULAR CRITERIA FOR HYDROCARBONGENESIS

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

McCarthy, Eugene D.; Calvin, Kevin

1967-09-22

In recent years the search for life-forms at the earliest periods of geological time has been continued not only at the morphological level but also at the molecular level. This has been possible as a result of the increase in the biochemical knowledge and with the advent of analytical techniques that are capable of describing the intimate molecular architecture of individual molecules in acute detail. The fundamental premises upon which this organic geochemical approach rest are the following: that certain molecules, possessing a characteristic structural skeleton, show a reasonable stability to degradation over long periods of geological time; that theirmore » structural specificity can be understood in terms of known biosynthetic sequences; and that their formation by any non-biological means is of negligible probability. In this manuscript it is proposed to critically re-examine these premises and to establish criteria whereby one can differentiate molecules derived from biological systems from those that have their origin in non-biological processes. The importance of establishing such criteria lies in the significance these criteria have in determining whether life exists, or has existed, on other planets. Within the very near future it may be possible to provide an initial answer to this question when the first lunar samples are returned to the earth for analysis.« less

Search for the 73Ga ground-state doublet splitting in the β decay of 73Zn

NASA Astrophysics Data System (ADS)

Vedia, V.; Paziy, V.; Fraile, L. M.; Mach, H.; Walters, W. B.; Aprahamian, A.; Bernards, C.; Briz, J. A.; Bucher, B.; Chiara, C. J.; Dlouhý, Z.; Gheorghe, I.; GhiÅ£ǎ, D.; Hoff, P.; Jolie, J.; Köster, U.; Kurcewicz, W.; Licǎ, R.; Mǎrginean, N.; Mǎrginean, R.; Olaizola, B.; Régis, J.-M.; Rudigier, M.; Sava, T.; Simpson, G. S.; Stǎnoiu, M.; Stroe, L.

2017-09-01

The existence of two close-lying nuclear states in 73Ga has recently been experimentally determined: a 1 /2- spin-parity for the ground state was measured in a laser spectroscopy experiment, while a Jπ=3 /2- level was observed in transfer reactions. This scenario is supported by Coulomb excitation studies, which set a limit for the energy splitting of 0.8 keV. In this work, we report on the study of the excited structure of 73Ga populated in the β decay of 73Zn produced at ISOLDE, CERN. Using β -gated, γ -ray singles, and γ -γ coincidences, we have searched for energy differences to try to delimit the ground-state energy splitting, providing a more stringent energy difference limit. Three new half-lives of excited states in 73Ga have been measured using the fast-timing method with LaBr3(Ce) detectors. From our study, we help clarify the excited structure of 73Ga and we extend the existing 73Zn decay to 73Ga with 8 new energy levels and 35 γ transitions. We observe a 195-keV transition consistent with a γ ray de-exciting a short-lived state in the β -decay parent 73Zn.

BOLD temporal dynamics of rat superior colliculus and lateral geniculate nucleus following short duration visual stimulation.

PubMed

Lau, Condon; Zhou, Iris Y; Cheung, Matthew M; Chan, Kevin C; Wu, Ed X

2011-04-29

The superior colliculus (SC) and lateral geniculate nucleus (LGN) are important subcortical structures for vision. Much of our understanding of vision was obtained using invasive and small field of view (FOV) techniques. In this study, we use non-invasive, large FOV blood oxygenation level-dependent (BOLD) fMRI to measure the SC and LGN's response temporal dynamics following short duration (1 s) visual stimulation. Experiments are performed at 7 tesla on Sprague Dawley rats stimulated in one eye with flashing light. Gradient-echo and spin-echo sequences are used to provide complementary information. An anatomical image is acquired from one rat after injection of monocrystalline iron oxide nanoparticles (MION), a blood vessel contrast agent. BOLD responses are concentrated in the contralateral SC and LGN. The SC BOLD signal measured with gradient-echo rises to 50% of maximum amplitude (PEAK) 0.2±0.2 s before the LGN signal (p<0.05). The LGN signal returns to 50% of PEAK 1.4±1.2 s before the SC signal (p<0.05). These results indicate the SC signal rises faster than the LGN signal but settles slower. Spin-echo results support these findings. The post-MION image shows the SC and LGN lie beneath large blood vessels. This subcortical vasculature is similar to that in the cortex, which also lies beneath large vessels. The LGN lies closer to the large vessels than much of the SC. The differences in response timing between SC and LGN are very similar to those between deep and shallow cortical layers following electrical stimulation, which are related to depth-dependent blood vessel dilation rates. This combined with the similarities in vasculature between subcortex and cortex suggest the SC and LGN timing differences are also related to depth-dependent dilation rates. This study shows for the first time that BOLD responses in the rat SC and LGN following short duration visual stimulation are temporally different.

The Effect of Telling Lies on Belief in the Truth

PubMed Central

Polage, Danielle

2017-01-01

The current study looks at the effect of telling lies, in contrast to simply planning lies, on participants’ belief in the truth. Participants planned and told a lie, planned to tell a lie but didn’t tell it, told an unplanned lie, or neither planned nor told a lie (control) about events that did not actually happen to them. Participants attempted to convince researchers that all of the stories told were true. Results show that telling a lie plays a more important role in inflating belief scores than simply preparing the script of a lie. Cognitive dissonance may lead to motivated forgetting of information that does not align with the lie. This research suggests that telling lies may lead to confusion as to the veracity of the lie leading to inflated belief scores. PMID:29358979

Nonlinear electron transport mobility in asymmetric wide quantum well structure

NASA Astrophysics Data System (ADS)

Nayak, Rasmita K.; Das, Sudhakar; Panda, Ajit K.; Sahu, Trinath

2018-05-01

The nonlinearity of multisubband electron mobility µ in a GaAs/AlxGa1-xAs wide quantum well structure is studied by varying the well width w and doping concentration Nd b (Nd t ) lying in the bottom (top) barrier. The electrons diffuse into the well and accumulate near the interfaces forming two sheets of coupled two dimensional electron gases equivalent to a double quantum well structure. We show that interchange of doping concentrations N db and N dt lead to the enhancement of µ as a function of w as long as N dt > N db , even though the surface electron density remains unaltered. Further, keeping Nd b unchanged, variation of Nd t leads to nonlinearity in µ near the resonance of subband states at Nd t = Nd b at which the subband energy levels exhibit anticrossing. The variation of µ becomes prominent by increasing the well width and resonant doping concentration. The nonlinearity in µ is mostly because of the change in the interface roughness scattering potential through intersubband effects due to the substantial changes in the distributions of the subband wave functions around resonance. Our results of nonmonotonic variation of µ can be utilized for low temperature coupled quantum well devices.

Structure of the atmosphere of Venus up to 110 kilometers: Preliminary results from the four Pioneer Venus entry probes

USGS Publications Warehouse

Seiff, A.; Kirk, D.B.; Sommer, S.C.; Young, R.E.; Blanchard, R.C.; Juergens, D.W.; Lepetich, J.E.; Intrieri, P.F.; Findlay, J.T.; Derr, J.S.

1979-01-01

The four Pioneer Venus entry probes transmitted data of good quality on the structure of the atmosphere below the clouds. Contrast of the structure below an altitude of 50 kilometers at four widely separated locations was found to be no more than a few degrees Kelvin, with slightly warmer temperatures at 30?? south latitude than at 5?? or 60?? north. The atmosphere was stably stratified above 15 or 20 kilometers, indicating that the near-adiabatic state is maintained by the general circulation. The profiles move from near-adiabatic toward radiative equilibrium at altitudes above 40 kilometers. There appears to be a region of vertical convection above the dense cloud deck, which lies at 47.5 to 49 kilometers and at temperature levels near 360 K. The atmosphere is nearly isothermal around 100 kilometers (175 to 180 K) and appears to exhibit a sizable temperature wave between 60 and 70 kilometers. This is where the 4-day wind is believed to occur. The temperature wave may be related to some of the wavelike phenomena seen in Mariner 10 ultraviolet photographs. Copyright ?? 1979 AAAS.

Galaxy clusters in the cosmic web

NASA Astrophysics Data System (ADS)

Acebrón, A.; Durret, F.; Martinet, N.; Adami, C.; Guennou, L.

2014-12-01

Simulations of large scale structure formation in the universe predict that matter is essentially distributed along filaments at the intersection of which lie galaxy clusters. We have analysed 9 clusters in the redshift range 0.4

The X-ray ribs within the cocoon shock of Cygnus A

NASA Astrophysics Data System (ADS)

Duffy, R. T.; Worrall, D. M.; Birkinshaw, M.; Nulsen, P. E. J.; Wise, M. W.; de Vries, M. N.; Snios, B.; Mathews, W. G.; Perley, R. A.; Hardcastle, M. J.; Rafferty, D. A.; McNamara, B. R.; Edge, A. C.; McKean, J. P.; Carilli, C. L.; Croston, J. H.; Godfrey, L. E. H.; Laing, R. A.

2018-06-01

We use new and archival Chandra observations of Cygnus A, totalling ˜1.9 Ms, to investigate the distribution and temperature structure of gas lying within the projected extent of the cocoon shock and exhibiting a rib-like structure. We confirm that the X-rays are dominated by thermal emission with an average temperature of around 4 keV, and have discovered an asymmetry in the temperature gradient, with the southwestern part of the gas cooler than the rest by up to 2 keV. Pressure estimates suggest that the gas is a coherent structure of single origin located inside the cocoon, with a mass of roughly 2 × 1010 M⊙. We conclude that the gas is debris resulting from disintegration of the cool core of the Cygnus A cluster after the passage of the jet during the early stages of the current epoch of activity. The 4 keV gas now lies on the central inside surface of the hotter cocoon rim. The temperature gradient could result from an offset between the centre of the cluster core and the Cygnus A host galaxy at the switch-on of current radio activity.

Spatially Extensive Standardized Surveys Reveal Widespread, Multi-Decadal Increase in East Antarctic Adélie Penguin Populations.

PubMed

Southwell, Colin; Emmerson, Louise; McKinlay, John; Newbery, Kym; Takahashi, Akinori; Kato, Akiko; Barbraud, Christophe; DeLord, Karine; Weimerskirch, Henri

2015-01-01

Seabirds are considered to be useful and practical indicators of the state of marine ecosystems because they integrate across changes in the lower trophic levels and the physical environment. Signals from this key group of species can indicate broad scale impacts or response to environmental change. Recent studies of penguin populations, the most commonly abundant Antarctic seabirds in the west Antarctic Peninsula and western Ross Sea, have demonstrated that physical changes in Antarctic marine environments have profound effects on biota at high trophic levels. Large populations of the circumpolar-breeding Adélie penguin occur in East Antarctica, but direct, standardized population data across much of this vast coastline have been more limited than in other Antarctic regions. We combine extensive new population survey data, new population estimation methods, and re-interpreted historical survey data to assess decadal-scale change in East Antarctic Adélie penguin breeding populations. We show that, in contrast to the west Antarctic Peninsula and western Ross Sea where breeding populations have decreased or shown variable trends over the last 30 years, East Antarctic regional populations have almost doubled in abundance since the 1980's and have been increasing since the earliest counts in the 1960's. The population changes are associated with five-year lagged changes in the physical environment, suggesting that the changing environment impacts primarily on the pre-breeding age classes. East Antarctic marine ecosystems have been subject to a number of changes over the last 50 years which may have influenced Adélie penguin population growth, including decadal-scale climate variation, an inferred mid-20th century sea-ice contraction, and early-to-mid 20th century exploitation of fish and whale populations.

Spatially Extensive Standardized Surveys Reveal Widespread, Multi-Decadal Increase in East Antarctic Adélie Penguin Populations

PubMed Central

Southwell, Colin; Emmerson, Louise; McKinlay, John; Newbery, Kym; Takahashi, Akinori; Kato, Akiko; Barbraud, Christophe; DeLord, Karine; Weimerskirch, Henri

2015-01-01

Seabirds are considered to be useful and practical indicators of the state of marine ecosystems because they integrate across changes in the lower trophic levels and the physical environment. Signals from this key group of species can indicate broad scale impacts or response to environmental change. Recent studies of penguin populations, the most commonly abundant Antarctic seabirds in the west Antarctic Peninsula and western Ross Sea, have demonstrated that physical changes in Antarctic marine environments have profound effects on biota at high trophic levels. Large populations of the circumpolar-breeding Adélie penguin occur in East Antarctica, but direct, standardized population data across much of this vast coastline have been more limited than in other Antarctic regions. We combine extensive new population survey data, new population estimation methods, and re-interpreted historical survey data to assess decadal-scale change in East Antarctic Adélie penguin breeding populations. We show that, in contrast to the west Antarctic Peninsula and western Ross Sea where breeding populations have decreased or shown variable trends over the last 30 years, East Antarctic regional populations have almost doubled in abundance since the 1980’s and have been increasing since the earliest counts in the 1960’s. The population changes are associated with five-year lagged changes in the physical environment, suggesting that the changing environment impacts primarily on the pre-breeding age classes. East Antarctic marine ecosystems have been subject to a number of changes over the last 50 years which may have influenced Adélie penguin population growth, including decadal-scale climate variation, an inferred mid-20th century sea-ice contraction, and early-to-mid 20th century exploitation of fish and whale populations. PMID:26488299

New Cu (II), Co(II) and Ni(II) complexes of chalcone derivatives: Synthesis, X-ray crystal structure, electrochemical properties and DFT computational studies

NASA Astrophysics Data System (ADS)

Tabti, Salima; Djedouani, Amel; Aggoun, Djouhra; Warad, Ismail; Rahmouni, Samra; Romdhane, Samir; Fouzi, Hosni

2018-03-01

The reaction of nickel(II), copper(II) and cobalt(II) with 4-hydroxy-3-[(2E)-3-(1H-indol-3-yl)prop-2-enoyl]-6-methyl-2H-pyran-2-one (HL) leads to a series of new complexes: Ni(L)2(NH3), Cu(L)2(DMF)2 and Co(L)2(H2O). The crystal structure of the Cu(L)2(DMF)2 complex have been determined by X-ray diffraction methods. The Cu(II) lying on an inversion centre is coordinated to six oxygen atoms forming an octahedral elongated. Additionally, the electrochemical behavior of the metal complexes were investigated by cyclic voltammetry at a glassy carbon electrode (GC) in CH3CN solutions, showing the quasi-reversible redox process ascribed to the reduction of the MII/MI couples. The X-ray single crystal structure data of the complex was matched excellently with the optimized monomer structure of the desired compound; Hirschfeld surface analysis supported the packed crystal lattice 3D network intermolecular forces. HOMO/LUMO energy level and the global reactivity descriptors quantum parameters are also calculated. The electrophilic and nucleophilic potions in the complex surface are theoretically evaluated by molecular electrostatic potential and Mulliken atomic charges analysis.

Effects of magnetic field on electron-electron intersubband scattering rates in quantum wells.

NASA Astrophysics Data System (ADS)

Kempa, K.; Zhou, Y.; Engelbrecht, J.; Bakshi, P.

2001-03-01

Electron-electron scattering dominates the physics of carrier relaxation in quantum nano-structures used as active regions of THz radiation sources. This is the limiting mechanism in achieving population inversion, and reducing its deleterious effects could clear the way to a THz laser. We study here the inter-subband relaxation processes due to the electron-electron scattering in quantum well structures, in a magnetic field. We obtain the scattering rate from the imaginary part of the electron self-energy in the random phase approximation, extending our earlier studies [1] to nonzero magnetic fields. We find that the scattering rate is peaked at two possible sets of arrangements of the Landau levels (LL) of the two subbands of interest. The first set occurs when the LL of both subbands align, and the other when the LL misalign, so that the LL of one subband lie exactly in the middle between those of the other subband. Experiments on various quantum cascade structures show that the misaligned set of transitions is completely suppressed. >From our calculations this implies that there is no population inversion in those structures. Work supported by US Army Research Office. [1] K. Kempa, P. Bakshi, J. R. Engelbrecht, and Y. Zhou, Phys. Rev. B61, 11083 (2000).

Effect of lie labelling on children's evaluation of selfish, polite, and altruistic lies.

PubMed

Cheung, Him; Chan, Yawen; Tsui, Wan Chi Gigi

2016-09-01

This study investigates how 5- and 6-year-olds' evaluations of selfish, polite, and altruistic lies change as a result of whether these false statements are explicitly labelled as lies. We are also interested in how interpretive theory of mind may correlate with such evaluations with and without a lie label. Our results showed that labelling lowered children's evaluations for the polite and altruistic lies, but not for the selfish lies. Interpretive theory of mind correlated positively with the evaluation difference between the polite and altruistic lies and that between the selfish and altruistic lies in the label, but not in the non-label condition. Correlation between the selfish and altruistic lies and that between the polite and altruistic lies were stronger with than without labelling, after controlling for age, and verbal and non-verbal intelligence. We conclude that lie labelling biases children towards more negative evaluations for non-selfish lies and makes them see lies of different motives as more similar. If a lie label is applied, whether lies of different motives are still evaluated differently depends on interpretive theory of mind, which reflects the child's ability to represent and allow different interpretations of an ambiguous reality. © 2016 The British Psychological Society.

Submolecular Structure and Orientation of Oligonucleotide Duplexes Tethered to Gold Electrodes Probed by Infrared Reflection Absorption Spectroscopy: Effect of the Electrode Potentials.

PubMed

Kékedy-Nagy, László; Ferapontova, Elena E; Brand, Izabella

2017-02-23

Unique electronic and ligand recognition properties of the DNA double helix provide basis for DNA applications in biomolecular electronic and biosensor devices. However, the relation between the structure of DNA at electrified interfaces and its electronic properties is still not well understood. Here, potential-driven changes in the submolecular structure of DNA double helices composed of either adenine-thymine (dAdT) 25 or cytosine-guanine (dGdC) 20 base pairs tethered to the gold electrodes are for the first time analyzed by in situ polarization modulation infrared reflection absorption spectroscopy (PM IRRAS) performed under the electrochemical control. It is shown that the conformation of the DNA duplexes tethered to gold electrodes via the C 6 alkanethiol linker strongly depends on the nucleic acid sequence composition. The tilt of purine and pyrimidine rings of the complementary base pairs (dAdT and dGdC) depends on the potential applied to the electrode. By contrast, neither the conformation nor orientation of the ionic in character phosphate-sugar backbone is affected by the electrode potentials. At potentials more positive than the potential of zero charge (pzc), a gradual tilting of the double helix is observed. In this tilted orientation, the planes of the complementary purine and pyrimidine rings lie ideally parallel to each other. These potentials do not affect the integral stability of the DNA double helix at the charged interface. At potentials more negative than the pzc, DNA helices adopt a vertical to the gold surface orientation. Tilt of the purine and pyrimidine rings depends on the composition of the double helix. In monolayers composed of (dAdT) 25 molecules the rings of the complementary base pairs lie parallel to each other. By contrast, the tilt of purine and pyrimidine rings in (dGdC) 20 helices depends on the potential applied to the electrode. Such potential-induced mobility of the complementary base pairs can destabilize the helix structure at a submolecular level. These pioneer results on the potential-driven changes in the submolecular structure of double stranded DNA adsorbed on conductive supports contribute to further understanding of the potential-driven sequence-specific electronic properties of surface-tethered oligonucleotides.

Simultaneous multiple view high resolution surface geometry acquisition using structured light and mirrors.

PubMed

Basevi, Hector R A; Guggenheim, James A; Dehghani, Hamid; Styles, Iain B

2013-03-25

Knowledge of the surface geometry of an imaging subject is important in many applications. This information can be obtained via a number of different techniques, including time of flight imaging, photogrammetry, and fringe projection profilometry. Existing systems may have restrictions on instrument geometry, require expensive optics, or require moving parts in order to image the full surface of the subject. An inexpensive generalised fringe projection profilometry system is proposed that can account for arbitrarily placed components and use mirrors to expand the field of view. It simultaneously acquires multiple views of an imaging subject, producing a cloud of points that lie on its surface, which can then be processed to form a three dimensional model. A prototype of this system was integrated into an existing Diffuse Optical Tomography and Bioluminescence Tomography small animal imaging system and used to image objects including a mouse-shaped plastic phantom, a mouse cadaver, and a coin. A surface mesh generated from surface capture data of the mouse-shaped plastic phantom was compared with ideal surface points provided by the phantom manufacturer, and 50% of points were found to lie within 0.1mm of the surface mesh, 82% of points were found to lie within 0.2mm of the surface mesh, and 96% of points were found to lie within 0.4mm of the surface mesh.

36 CFR 28.10 - Permitted and prohibited uses.

Code of Federal Regulations, 2011 CFR

2011-07-01

... natural resources of the Seashore, on any lands, whether publicly or privately-held, which lie below mean... a building, bulkhead, pile, septic system, revetment, deck, swimming pool, or other structure or man... education, and natural resource protection uses and facilities consistent with the uses and facilities...

Motivating Tomorrow's Biologists

ERIC Educational Resources Information Center

Musante, Susan

2012-01-01

The story of biology is far more complex and fascinating than straightforward facts or neatly labeled diagrams of structures and systems. Although exams can motivate students, the key to using these extrinsic motivators to increase student understanding lies in the way the assessments are designed and what they measure. Those involved in…

Extreme ultraviolet and soft x-ray spectral lines in Rb XXIX

NASA Astrophysics Data System (ADS)

Indu, Khatri; Arun, Goyal; Sunny, Aggarwal; A, K. Singh; Man, Mohan

2016-03-01

An extensive theoretical set of atomic data for Rb XXIX in a wide range with L-shell electron excitations to the M-shell has been reported. We have computed energy levels for the lowest 113 fine structure levels of Rb XXIX. The fully relativistic multiconfigurational Dirac-Fock method (MCDF) within the framework of Dirac-Coulomb Hamiltonian taking quantum electrodynamics (QED) and Breit corrections into account has been adopted for calculations. Radiative data are reported for electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) transitions from the ground level, although calculations have been performed for a much larger number of levels. To assess the accuracy of results, we performed analogous calculations using flexible atomic code (FAC). Comparisons are made with existing available results and a good agreement has been achieved. Most of the wavelengths calculated lie in the soft x-ray (SXR) region. Lifetimes for all 113 levels have also been provided for the first time. Additionally, we have provided the spectra for allowed transitions from n = 2 to n = 3 within the x-ray region and also compared our SXR photon wavelengths with experimentally recognized wavelengths. We hope that our results will be beneficial in fusion plasma research and astrophysical applications.

Gravity and magnetic modelling in the Vrancea Zone, south-eastern Carpathians: Redefinition of the edge of the East European Craton beneath the south-eastern Carpathians

NASA Astrophysics Data System (ADS)

Bocin, A.; Stephenson, R.; Matenco, L.; Mocanu, V.

2013-11-01

A 2D gravity and magnetic data model has been constructed along a 71 km densely observed profile, called DACIA PLAN GRAV MAN's. The profile crosses part of the nappe pile of the south-eastern Carpathians and includes the seismically active Vrancea Zone and was acquired with the objective to illuminate the basement structure and affinity in this area. The modelling approach was to create an initial model from well constrained geological information, integrate it with previous seismic ray tracing and tomographic models and then alter it outside the a priori constraints in order to reach the best fit between observed and calculated potential field anomalies. The results support a realignment of the position of the TTZ (Tornquist-Teisseyre Zone), the profound tectonic boundary within Europe that separates Precambrian cratonic lithosphere of the East European Craton (EEC) from younger accreted lithosphere of Phanerozoic mobile belts to its west. The TTZ is shown to lie further to the south-west than was previously inferred within Romania, where it is largely obscured by the Carpathian nappes. The crust of the EEC beneath the south-eastern Carpathians is inferred to terminate along a major crustal structure lying just west of the Vrancea seismogenic zone. The intermediate depth seismicity of the Vrancea Zone therefore lies within the EEC lithosphere, generally supporting previously proposed models invoking delamination of cratonic lithosphere as the responsible mechanism.

Effects of parceling on model selection: Parcel-allocation variability in model ranking.

PubMed

Sterba, Sonya K; Rights, Jason D

2017-03-01

Research interest often lies in comparing structural model specifications implying different relationships among latent factors. In this context parceling is commonly accepted, assuming the item-level measurement structure is well known and, conservatively, assuming items are unidimensional in the population. Under these assumptions, researchers compare competing structural models, each specified using the same parcel-level measurement model. However, little is known about consequences of parceling for model selection in this context-including whether and when model ranking could vary across alternative item-to-parcel allocations within-sample. This article first provides a theoretical framework that predicts the occurrence of parcel-allocation variability (PAV) in model selection index values and its consequences for PAV in ranking of competing structural models. These predictions are then investigated via simulation. We show that conditions known to manifest PAV in absolute fit of a single model may or may not manifest PAV in model ranking. Thus, one cannot assume that low PAV in absolute fit implies a lack of PAV in ranking, and vice versa. PAV in ranking is shown to occur under a variety of conditions, including large samples. To provide an empirically supported strategy for selecting a model when PAV in ranking exists, we draw on relationships between structural model rankings in parcel- versus item-solutions. This strategy employs the across-allocation modal ranking. We developed software tools for implementing this strategy in practice, and illustrate them with an example. Even if a researcher has substantive reason to prefer one particular allocation, investigating PAV in ranking within-sample still provides an informative sensitivity analysis. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Truths, errors, and lies around "reflex sympathetic dystrophy" and "complex regional pain syndrome".

PubMed

Ochoa, J L

1999-10-01

The shifting paradigm of reflex sympathetic dystrophy-sympathetically maintained pains-complex regional pain syndrome is characterized by vestigial truths and understandable errors, but also unjustifiable lies. It is true that patients with organically based neuropathic pain harbor unquestionable and physiologically demonstrable evidence of nerve fiber dysfunction leading to a predictable clinical profile with stereotyped temporal evolution. In turn, patients with psychogenic pseudoneuropathy, sustained by conversion-somatization-malingering, not only lack physiological evidence of structural nerve fiber disease but display a characteristically atypical, half-subjective, psychophysical sensory-motor profile. The objective vasomotor signs may have any variety of neurogenic, vasogenic, and psychogenic origins. Neurological differential diagnosis of "neuropathic pain" versus pseudoneuropathy is straight forward provided that stringent requirements of neurological semeiology are not bypassed. Embarrassing conceptual errors explain the assumption that there exists a clinically relevant "sympathetically maintained pain" status. Errors include historical misinterpretation of vasomotor signs in symptomatic body parts, and misconstruing symptomatic relief after "diagnostic" sympathetic blocks, due to lack of consideration of the placebo effect which explains the outcome. It is a lie that sympatholysis may specifically cure patients with unqualified "reflex sympathetic dystrophy." This was already stated by the father of sympathectomy, René Leriche, more than half a century ago. As extrapolated from observations in animals with gross experimental nerve injury, adducing hypothetical, untestable, secondary central neuron sensitization to explain psychophysical sensory-motor complaints displayed by patients with blatantly absent nerve fiber injury, is not an error, but a lie. While conceptual errors are not only forgivable, but natural to inexact medical science, lies particularly when entrepreneurially inspired are condemnable and call for peer intervention.

Comment on “the ground-state structures of Au10-, Au8Ni and Au9Ni clusters”

NASA Astrophysics Data System (ADS)

Zheng, Ben-Xia; Die, Dong; Li, Qian-Qian; Dai, Ming-Liang; Li, Zhi-Qin; Yang, Ji-Xian

2017-09-01

The lowest energy structures of Aun+1- and AunNi (n = 2-9) clusters have been researched using the CALYPSO structure searching method in conjunction with the density functional theory. It is found that the most stable structures of Au10-, Au8Ni and Au9Ni clusters reported by Tang et al. [C. M. Tang, X. X. Chen and X. D. Yang, Int. J. Mod. Phys. B 28, 1450138 (2014)] are low-lying isomers. The correct ground states and vibrational spectra are given in this paper.

Identification of the structure parameters using short-time non-stationary stochastic excitation

NASA Astrophysics Data System (ADS)

Jarczewska, Kamila; Koszela, Piotr; Śniady, PaweŁ; Korzec, Aleksandra

2011-07-01

In this paper, we propose an approach to the flexural stiffness or eigenvalue frequency identification of a linear structure using a non-stationary stochastic excitation process. The idea of the proposed approach lies within time domain input-output methods. The proposed method is based on transforming the dynamical problem into a static one by integrating the input and the output signals. The output signal is the structure reaction, i.e. structure displacements due to the short-time, irregular load of random type. The systems with single and multiple degrees of freedom, as well as continuous systems are considered.

VLF electromagnetic investigations of the crater and central dome of Mount St. Helens, Washington

USGS Publications Warehouse

Towle, J.N.

1983-01-01

A very low frequency (VLF) electromagnetic induction survey in the crater of Mount St. Helens has identified several electrically conductive structures that appear to be associated with thermal anomalies and ground water within the crater. The most interesting of these conductive structures lies beneath the central dome. It is probably a partial melt of dacite similar to that comprising the June 1981 lobe of the central dome. ?? 1983.

Limiting rotational period of neutron stars

NASA Astrophysics Data System (ADS)

Glendenning, Norman K.

1992-11-01

We seek an absolute limit on the rotational period for a neutron star as a function of its mass, based on the minimal constraints imposed by Einstein's theory of relativity, Le Chatelier's principle, causality, and a low-density equation of state, uncertainties in which can be evaluated as to their effect on the result. This establishes a limiting curve in the mass-period plane below which no pulsar that is a neutron star can lie. For example, the minimum possible Kepler period, which is an absolute limit on rotation below which mass shedding would occur, is 0.33 ms for a M=1.442Msolar neutron star (the mass of PSR1913+16). A still lower curve, based only on the structure of Einstein's equations, limits any star whatsoever to lie in the plane above it. Hypothetical stars such as strange stars, if the matter of which they are made is self-bound in bulk at a sufficiently large equilibrium energy density, can lie in the region above the general-relativistic forbidden region, and in the region forbidden to neutron stars.

Stochastic Evolution of Augmented Born-Infeld Equations

NASA Astrophysics Data System (ADS)

Holm, Darryl D.

2018-06-01

This paper compares the results of applying a recently developed method of stochastic uncertainty quantification designed for fluid dynamics to the Born-Infeld model of nonlinear electromagnetism. The similarities in the results are striking. Namely, the introduction of Stratonovich cylindrical noise into each of their Hamiltonian formulations introduces stochastic Lie transport into their dynamics in the same form for both theories. Moreover, the resulting stochastic partial differential equations retain their unperturbed form, except for an additional term representing induced Lie transport by the set of divergence-free vector fields associated with the spatial correlations of the cylindrical noise. The explanation for this remarkable similarity lies in the method of construction of the Hamiltonian for the Stratonovich stochastic contribution to the motion in both cases, which is done via pairing spatial correlation eigenvectors for cylindrical noise with the momentum map for the deterministic motion. This momentum map is responsible for the well-known analogy between hydrodynamics and electromagnetism. The momentum map for the Maxwell and Born-Infeld theories of electromagnetism treated here is the 1-form density known as the Poynting vector. Two appendices treat the Hamiltonian structures underlying these results.

Nanosecond lifetime measurements of Iπ=9/2- intrinsic excited states and low-lying B(E1) strengths in 183Re using combined HPGe-LaBr3 coincidence spectroscopy

NASA Astrophysics Data System (ADS)

Gurgi, L. A.; Regan, P. H.; Daniel, T.; Podolyák, Zs.; Bruce, A. M.; Mason, P. J. R.; Mǎrginean, N.; Mǎrginean, R.; Werner, V.; Alharbi, T.; Alkhomashi, N.; Bajoga, A. D.; Britton, R.; Cǎta-Danil, I.; Carroll, R. J.; Deleanu, D.; Bucurescu, D.; Florea, N.; Gheorghe, I.; Ghita, D. G.; Glodariu, T.; Lice, R.; Mihai, C.; Mulholland, K. F.; Negret, A.; Olacel, A.; Roberts, O. J.; Sava, T.; Söderström, P.-A.; Stroe, L.; Suvaila, R.; Toma, S.; Wilson, E.; Wood, R. T.

2017-08-01

This paper presents precision measurements of electromagnetic decay probabilities associated with electric dipole transitions in the prolate-deformed nucleus 183Re. The nucleus of interest was formed using the fusion evaporation reaction 180Hf(7Li,4n)183Re at a beam energy of 30 MeV at the tandem accelerator at the HH-IFIN Institute, Bucharest Romania. Coincident decay gamma rays from near-yrast cascades were detected using the combined HPGe-LaBr3 detector array ROSPHERE. The time differences between cascade gamma rays were measured using the LaBr3 detectors to determine the half-lives of the two lowest lying spin-parity 9/2- states at excitation energies of 496 and 617 keV to be 5.65(5) and 2.08(3) ns respectively. The deduced E1 transition rates from these two states are discussed in terms of the K-hindrance between the low-lying structures in this prolate-deformed nucleus.

Extracting conformational structure information of benzene molecules via laser-induced electron diffraction

DOE PAGES

Ito, Yuta; Wang, Chuncheng; Le, Anh-Thu; ...

2016-05-01

Here, we have measured the angular distributions of high energy photoelectrons of benzene molecules generated by intense infrared femtosecond laser pulses. These electrons arise from the elastic collisions between the benzene ions with the previously tunnel-ionized electrons that have been driven back by the laser field. Theory shows that laser-free elastic differential cross sections (DCSs) can be extracted from these photoelectrons, and the DCS can be used to retrieve the bond lengths of gas-phase molecules similar to the conventional electron diffraction method. From our experimental results, we have obtained the C-C and C-H bond lengths of benzene with a spatialmore » resolution of about 10 pm. Our results demonstrate that laser induced electron diffraction (LIED) experiments can be carried out with the present-day ultrafast intense lasers already. Looking ahead, with aligned or oriented molecules, more complete spatial information of the molecule can be obtained from LIED, and applying LIED to probe photo-excited molecules, a “molecular movie” of the dynamic system may be created with sub-A°ngstrom spatial and few-ten femtosecond temporal resolutions.« less

A Trotter-Suzuki approximation for Lie groups with applications to Hamiltonian simulation

NASA Astrophysics Data System (ADS)

Somma, Rolando D.

2016-06-01

We present a product formula to approximate the exponential of a skew-Hermitian operator that is a sum of generators of a Lie algebra. The number of terms in the product depends on the structure factors. When the generators have large norm with respect to the dimension of the Lie algebra, or when the norm of the effective operator resulting from nested commutators is less than the product of the norms, the number of terms in the product is significantly less than that obtained from well-known results. We apply our results to construct product formulas useful for the quantum simulation of some continuous-variable and bosonic physical systems, including systems whose potential is not quadratic. For many of these systems, we show that the number of terms in the product can be sublinear or even subpolynomial in the dimension of the relevant local Hilbert spaces, where such a dimension is usually determined by the energy scale of the problem. Our results emphasize the power of quantum computers for the simulation of various quantum systems.

A Trotter-Suzuki approximation for Lie groups with applications to Hamiltonian simulation

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

Somma, Rolando D., E-mail: somma@lanl.gov

2016-06-15

We present a product formula to approximate the exponential of a skew-Hermitian operator that is a sum of generators of a Lie algebra. The number of terms in the product depends on the structure factors. When the generators have large norm with respect to the dimension of the Lie algebra, or when the norm of the effective operator resulting from nested commutators is less than the product of the norms, the number of terms in the product is significantly less than that obtained from well-known results. We apply our results to construct product formulas useful for the quantum simulation ofmore » some continuous-variable and bosonic physical systems, including systems whose potential is not quadratic. For many of these systems, we show that the number of terms in the product can be sublinear or even subpolynomial in the dimension of the relevant local Hilbert spaces, where such a dimension is usually determined by the energy scale of the problem. Our results emphasize the power of quantum computers for the simulation of various quantum systems.« less

A Trotter-Suzuki approximation for Lie groups with applications to Hamiltonian simulation

DOE PAGES

Somma, Rolando D.

2016-06-01

In this paper, we present a product formula to approximate the exponential of a skew-Hermitian operator that is a sum of generators of a Lie algebra. The number of terms in the product depends on the structure factors. When the generators have large norm with respect to the dimension of the Lie algebra, or when the norm of the effective operator resulting from nested commutators is less than the product of the norms, the number of terms in the product is significantly less than that obtained from well-known results. We apply our results to construct product formulas useful for themore » quantum simulation of some continuous-variable and bosonic physical systems, including systems whose potential is not quadratic. For many of these systems, we show that the number of terms in the product can be sublinear or even subpolynomial in the dimension of the relevant local Hilbert spaces, where such a dimension is usually determined by the energy scale of the problem. Our results emphasize the power of quantum computers for the simulation of various quantum systems.« less

Upon Generating (2+1)-dimensional Dynamical Systems

NASA Astrophysics Data System (ADS)

Zhang, Yufeng; Bai, Yang; Wu, Lixin

2016-06-01

Under the framework of the Adler-Gel'fand-Dikii(AGD) scheme, we first propose two Hamiltonian operator pairs over a noncommutative ring so that we construct a new dynamical system in 2+1 dimensions, then we get a generalized special Novikov-Veselov (NV) equation via the Manakov triple. Then with the aid of a special symmetric Lie algebra of a reductive homogeneous group G, we adopt the Tu-Andrushkiw-Huang (TAH) scheme to generate a new integrable (2+1)-dimensional dynamical system and its Hamiltonian structure, which can reduce to the well-known (2+1)-dimensional Davey-Stewartson (DS) hierarchy. Finally, we extend the binormial residue representation (briefly BRR) scheme to the super higher dimensional integrable hierarchies with the help of a super subalgebra of the super Lie algebra sl(2/1), which is also a kind of symmetric Lie algebra of the reductive homogeneous group G. As applications, we obtain a super 2+1 dimensional MKdV hierarchy which can be reduced to a super 2+1 dimensional generalized AKNS equation. Finally, we compare the advantages and the shortcomings for the three schemes to generate integrable dynamical systems.

Prolongation structures of nonlinear evolution equations. II

NASA Technical Reports Server (NTRS)

Estabrook, F. B.; Wahlquist, H. D.

1976-01-01

The prolongation structure of a closed ideal of exterior differential forms is further discussed, and its use illustrated by application to an ideal (in six dimensions) representing the cubically nonlinear Schroedinger equation. The prolongation structure in this case is explicitly given, and recurrence relations derived which support the conjecture that the structure is open - i.e., does not terminate as a set of structure relations of a finite-dimensional Lie group. We introduce the use of multiple pseudopotentials to generate multiple Baecklund transformation, and derive the double Baecklund transformation. This symmetric transformation concisely expresses the (usually conjectured) theorem of permutability, which must consequently apply to all solutions irrespective of asymptotic constraints.

High-lying single-particle modes, chaos, correlational entropy, and doubling phase transition

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

Stoyanov, Chavdar; Zelevinsky, Vladimir

Highly excited single-particle states in nuclei are coupled with the excitations of a more complex character, first of all with collective phononlike modes of the core. In the framework of the quasiparticle-phonon model, we consider the structure of resulting complex configurations, using the 1k{sub 17/2} orbital in {sup 209}Pb as an example. Although, on the level of one- and two-phonon admixtures, the fully chaotic Gaussian orthogonal ensemble regime is not reached, the eigenstates of the model carry a significant degree of complexity that can be quantified with the aid of correlational invariant entropy. With artificially enhanced particle-core coupling, the systemmore » undergoes the doubling phase transition with the quasiparticle strength concentrated in two repelling peaks. This phase transition is clearly detected by correlational entropy.« less

Soft-Rotator Coupled Channels Global Optical Potential for A=24-122 Mass Region Nuclides up to 200-MeV Incident Nucleon Energies

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

Soukhovitski, Efrem Sh.; Chiba, Satoshi; Lee, Jeong-Yeon

2005-05-24

A coupled-channels optical model with a coupling scheme based on nuclear wave functions of the soft-rotator model was applied to analyze experimental nucleon-nucleus interaction data for even-even nuclides with mass number A=24-122. We found that all the available data (total cross sections, angular distributions of elastically and inelastically scattered nucleons, and reaction cross sections) for these nuclides can be described to a good accuracy using an optical potential having smooth dependencies of potential values, radii, and diffuseness on the mass number. The individual properties of the target nuclides are accounted for by individuality of the nuclear Hamiltonian parameters, adjusted tomore » reproduce the low-lying collective level structure, Fermi energies, and deformation parameters.« less

Molecular orientation of copper phthalocyanine thin films on different monolayers of fullerene on SiO{sub 2} or highly oriented pyrolytic graphite

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

Wang, Chenggong; Wang, Congcong; Liu, Xiaoliang

2015-03-23

The interface electronic structures of copper phthalocyanine (CuPc) have been studied using ultraviolet photoemission spectroscopy as different monolayers of C{sub 60} were inserted between CuPc and a SiO{sub 2} or highly ordered pyrolytic graphite (HOPG) substrate. The results show that CuPc has standing up configuration with one monolayer of C{sub 60} insertion on SiO{sub 2} while lying down on HOPG, indicating that the insertion layer propagates the CuPc-substrate interaction. Meanwhile, CuPc on more than one monolayers of C{sub 60} on different substrates show that the substrate orientation effect quickly vanished. Our study elucidates intriguing molecular interactions that manipulate molecular orientationmore » and donor-acceptor energy level alignment.« less

Systematic shell-model study on spectroscopic properties from light to heavy nuclei

NASA Astrophysics Data System (ADS)

Yuan, Cenxi

2018-05-01

A systematic shell-model study is performed to study the spectroscopic properties from light to heavy nuclei, such as binding energies, energy levels, electromagnetic properties, and β decays. The importance of cross-shell excitation is shown in the spectroscopic properties of neutron-rich boron, carbon, nitrogen, and oxygen isotopes. A special case is presented for low-lying structure of 14C. The weakly bound effect of proton 1s1/2 orbit is necessary for the description of the mirror energy difference in the nuclei around A=20. Some possible isomers are predicted in the nuclei in the southeast region of 132Sn based on a newly suggested Hamiltonian. A preliminary study on the nuclei around 208Pb are given to show the ability of the shell model in the heavy nuclei.

Highly sensitive simple homodyne phase detector for ultrasonic pulse-echo measurements

DOE PAGES

Grossman, John; Suslov, Alexey V.; Yong, Grace; ...

2016-04-07

Progress in microelectronic technology has allowed us to design and develop a simple but, professional quality instrument for ultrasonic pulse-echo probing of the elastic properties of materials. The heart of this interfer- ometer lies in the AD8302 microchip, a gain and phase detector from Analog Devices, Inc. The interferometer was tested by measuring the temperature dependences of the ultrasound speed and attenuation in a ferro- electric KTa 0.92 Nb 0.08O 3 (KTN) crystal at a frequency of about 40 MHz. These tests demonstrated that our instrument is capable of detecting the relative changes in the sound speed v on themore » level of Δv/v ~ 10 –7. In addition, the ultrasound attenuation revealed new features in the development of the low-temperature structure of the ferroelectric KTN crystal.« less

Pulsed Magneto-motive Ultrasound Imaging Using Ultrasmall Magnetic Nanoprobes

PubMed Central

Mehrmohammadi, Mohammad; Oh, Junghwan; Mallidi, Srivalleesha; Emelianov, Stanislav Y.

2011-01-01

Nano-sized particles are widely regarded as a tool to study biologic events at the cellular and molecular levels. However, only some imaging modalities can visualize interaction between nanoparticles and living cells. We present a new technique, pulsed magneto-motive ultrasound imaging, which is capable of in vivo imaging of magnetic nanoparticles in real time and at sufficient depth. In pulsed magneto-motive ultrasound imaging, an external high-strength pulsed magnetic field is applied to induce the motion within the magnetically labeled tissue and ultrasound is used to detect the induced internal tissue motion. Our experiments demonstrated a sufficient contrast between normal and iron-laden cells labeled with ultrasmall magnetic nanoparticles. Therefore, pulsed magneto-motive ultrasound imaging could become an imaging tool capable of detecting magnetic nanoparticles and characterizing the cellular and molecular composition of deep-lying structures. PMID:21439255

Incorporating Cross-Cultural Videoconferencing to Enhance Content and Language Integrated Learning (CLIL) at the Tertiary Level

ERIC Educational Resources Information Center

Loranc-Paszylk, Barbara

2016-01-01

This paper attempts to provide evidence of cross-cultural videoconferencing affordances with reference to a Content and Language Integrated Learning (CLIL) context at the tertiary level. At the core of CLIL lie student-centered paradigms of teaching methodologies that invite task and project work and authentic and meaningful communication, while…

Sex, Lies, and Video Games: Moral Panics or Uses and Gratifications

ERIC Educational Resources Information Center

Puri, Kunal; Pugliese, Rudy

2012-01-01

This study examined video game-playing aggression among graduate and undergraduate students at Rochester Institute of Technology in upstate New York. The following three research questions were posed: In the context of video game playing, what differences are there in levels of aggression in relation to sex? What differences are there in levels of…

Measuring Students' Physical Activity Levels: Validating SOFIT for Use with High-School Students

ERIC Educational Resources Information Center

van der Mars, Hans; Rowe, Paul J.; Schuldheisz, Joel M.; Fox, Susan

2004-01-01

This study was conducted to validate the System for Observing Fitness Instruction Time (SOFIT) for measuring physical activity levels of high-school students. Thirty-five students (21 girls and 14 boys from grades 9-12) completed a standardized protocol including lying, sitting, standing, walking, running, curl-ups, and push-ups. Heart rates and…

The Way Ahead for Finnish Comprehensive School? Examining State-Level School Administrators' Theory of Change

ERIC Educational Resources Information Center

Salonen-Hakomäki, Sanna-Mari; Soini, Tiina; Pietarinen, Janne; Pyhältö, Kirsi

2016-01-01

A significant body of evidence shows that the goals of educational reforms are seldom fully achieved. Some research suggests that the problem lies in state-level curriculum reform work that lacks a sufficient understanding of the educational reality. However, views and perceptions among the central architects of the reforms have not been…

RNAi knockdown of acetyl-CoA gene eliminates jinggangmycin-enhanced reproduction and population growth in the brown planthopper, Nilaparfata lugens

USDA-ARS?s Scientific Manuscript database

A major challenge in ecology lies in understanding the coexistence of intraguild species, well documented at the organismal level, but not at the molecular level. This study focused on the effects of the antibiotic, jinggangmycin (JGM), a fungicide widely used in Asian rice agroecosystems, on reprod...

1-3-A Resolution Structure of Human Glutathione S-Transferase With S-Hexyl Glutathione Bound Reveals Possible Extended Ligandin Binding Site

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

Trong, I.Le; Stenkamp, R.E.; Ibarra, C.

2005-08-22

Cytosolic glutathione S-transferases (GSTs) play a critical role in xenobiotic binding and metabolism, as well as in modulation of oxidative stress. Here, the high-resolution X-ray crystal structures of homodimeric human GSTA1-1 in the apo form and in complex with S-hexyl glutathione (two data sets) are reported at 1.8, 1.5, and 1.3A respectively. At this level of resolution, distinct conformations of the alkyl chain of S-hexyl glutathione are observed, reflecting the nonspecific nature of the hydrophobic substrate binding site (H-site). Also, an extensive network of ordered water, including 75 discrete solvent molecules, traverses the open subunit-subunit interface and connects the glutathionemore » binding sites in each subunit. In the highest-resolution structure, three glycerol moieties lie within this network and directly connect the amino termini of the glutathione molecules. A search for ligand binding sites with the docking program Molecular Operating Environment identified the ordered water network binding site, lined mainly with hydrophobic residues, suggesting an extended ligand binding surface for nonsubstrate ligands, the so-called ligandin site. Finally, detailed comparison of the structures reported here with previously published X-ray structures reveal a possible reaction coordinate for ligand-dependent conformational changes in the active site and the C-terminus.« less

A Lesson in Complexity: Seabed Minerals and Easter Island.

ERIC Educational Resources Information Center

Druker, Kristen

1984-01-01

This high school-level classroom activity presents a hypothetical situation based on scientific fact concerning the likelihood that seabed mineral deposits lie off Easter Island. Activity goals, instructional strategies, and instructions for students are included. (JN)

From phase space to integrable representations and level-rank duality

NASA Astrophysics Data System (ADS)

Chattopadhyay, Arghya; Dutta, Parikshit; Dutta, Suvankar

2018-05-01

We explicitly find representations for different large N phases of Chern-Simons matter theory on S 2 × S 1. These representations are characterised by Young diagrams. We show that no-gap and lower-gap phase of Chern-Simons-matter theory correspond to integrable representations of SU( N) k affine Lie algebra, where as upper-cap phase corresponds to integrable representations of SU( k - N) k affine Lie algebra. We use phase space description of [1] to obtain these representations and argue how putting a cap on eigenvalue distribution forces corresponding representations to be integrable. We also prove that the Young diagrams corresponding to lower-gap and upper-cap representations are related to each other by transposition under level-rank duality. Finally we draw phase space droplets for these phases and show how information about eigenvalue and Young diagram descriptions can be captured in topologies of these droplets in a unified way.

An Electron-Deficient Building Block Based on the B←N Unit: An Electron Acceptor for All-Polymer Solar Cells.

PubMed

Dou, Chuandong; Long, Xiaojing; Ding, Zicheng; Xie, Zhiyuan; Liu, Jun; Wang, Lixiang

2016-01-22

A double B←N bridged bipyridyl (BNBP) is a novel electron-deficient building block for polymer electron acceptors in all-polymer solar cells. The B←N bridging units endow BNBP with fixed planar configuration and low-lying LUMO/HOMO energy levels. As a result, the polymer based on BNBP units (P-BNBP-T) exhibits high electron mobility, low-lying LUMO/HOMO energy levels, and strong absorbance in the visible region, which is desirable for polymer electron acceptors. Preliminary all-polymer solar cell (all-PSC) devices with P-BNBP-T as the electron acceptor and PTB7 as the electron donor exhibit a power conversion efficiency (PCE) of 3.38%, which is among the highest values of all-PSCs with PTB7 as the electron donor. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Liu Kun; Zhao Hongmei; Wang Caixia

Bromoiodomethane photodissociation in the low-lying excited states has been characterized using unrestricted Hartree-Fock, configuration-interaction-singles, and complete active space self-consistent field calculations with the SDB-aug-cc-pVTZ, aug-cc-pVTZ, and 3-21g** basis sets. According to the results of the vertical excited energies and oscillator strengths of these low-lying excited states, bond selectivity is predicted. Subsequently, the minimum energy paths of the first excited singlet state and the third excited state for the dissociation reactions were calculated using the complete active space self-consistent field method with 3-21g** basis set. Good agreement is found between the calculations and experimental data. The relationships of excitations, the electronicmore » structures at Franck-Condon points, and bond selectivity are discussed.« less

Integrated field emission array for ion desorption

DOEpatents

Resnick, Paul J; Hertz, Kristin L.; Holland, Christopher; Chichester, David

2016-08-23

An integrated field emission array for ion desorption includes an electrically conductive substrate; a dielectric layer lying over the electrically conductive substrate comprising a plurality of laterally separated cavities extending through the dielectric layer; a like plurality of conically-shaped emitter tips on posts, each emitter tip/post disposed concentrically within a laterally separated cavity and electrically contacting the substrate; and a gate electrode structure lying over the dielectric layer, including a like plurality of circular gate apertures, each gate aperture disposed concentrically above an emitter tip/post to provide a like plurality of annular gate electrodes and wherein the lower edge of each annular gate electrode proximate the like emitter tip/post is rounded. Also disclosed herein are methods for fabricating an integrated field emission array.

Integrated field emission array for ion desorption

DOEpatents

Resnick, Paul J; Hertz, Kristin L; Holland, Christopher; Chichester, David; Schwoebel, Paul

2013-09-17

An integrated field emission array for ion desorption includes an electrically conductive substrate; a dielectric layer lying over the electrically conductive substrate comprising a plurality of laterally separated cavities extending through the dielectric layer; a like plurality of conically-shaped emitter tips on posts, each emitter tip/post disposed concentrically within a laterally separated cavity and electrically contacting the substrate; and a gate electrode structure lying over the dielectric layer, including a like plurality of circular gate apertures, each gate aperture disposed concentrically above an emitter tip/post to provide a like plurality of annular gate electrodes and wherein the lower edge of each annular gate electrode proximate the like emitter tip/post is rounded. Also disclosed herein are methods for fabricating an integrated field emission array.

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

Berkelbach, Timothy C., E-mail: tcb2112@columbia.edu; Reichman, David R., E-mail: drr2103@columbia.edu; Hybertsen, Mark S., E-mail: mhyberts@bnl.gov

We extend our previous work on singlet exciton fission in isolated dimers to the case of crystalline materials, focusing on pentacene as a canonical and concrete example. We discuss the proper interpretation of the character of low-lying excited states of relevance to singlet fission. In particular, we consider a variety of metrics for measuring charge-transfer character, conclusively demonstrating significant charge-transfer character in the low-lying excited states. The impact of this electronic structure on the subsequent singlet fission dynamics is assessed by performing real-time master-equation calculations involving hundreds of quantum states. We make direct comparisons with experimental absorption spectra and singletmore » fission rates, finding good quantitative agreement in both cases, and we discuss the mechanistic distinctions that exist between small isolated aggregates and bulk systems.« less

Interactions between sea-level rise and wave exposure on reef island dynamics in the Solomon Islands

NASA Astrophysics Data System (ADS)

Albert, Simon; Leon, Javier X.; Grinham, Alistair R.; Church, John A.; Gibbes, Badin R.; Woodroffe, Colin D.

2016-05-01

Low-lying reef islands in the Solomon Islands provide a valuable window into the future impacts of global sea-level rise. Sea-level rise has been predicted to cause widespread erosion and inundation of low-lying atolls in the central Pacific. However, the limited research on reef islands in the western Pacific indicates the majority of shoreline changes and inundation to date result from extreme events, seawalls and inappropriate development rather than sea-level rise alone. Here, we present the first analysis of coastal dynamics from a sea-level rise hotspot in the Solomon Islands. Using time series aerial and satellite imagery from 1947 to 2014 of 33 islands, along with historical insight from local knowledge, we have identified five vegetated reef islands that have vanished over this time period and a further six islands experiencing severe shoreline recession. Shoreline recession at two sites has destroyed villages that have existed since at least 1935, leading to community relocations. Rates of shoreline recession are substantially higher in areas exposed to high wave energy, indicating a synergistic interaction between sea-level rise and waves. Understanding these local factors that increase the susceptibility of islands to coastal erosion is critical to guide adaptation responses for these remote Pacific communities.

Research on Russian National Character

ERIC Educational Resources Information Center

Na, Zhuo

2008-01-01

The special geographical location Russia lies in creates the unique character of the Russian nation. Based on the dual nature of the Russian national character, the Russian geographical environment and the analysis of its social structure, this text tries to explore the reasons of the dual nature of Russian national character.

Scale of association: hierarchical linear models and the measurement of ecological systems

Treesearch

Sean M. McMahon; Jeffrey M. Diez

2007-01-01

A fundamental challenge to understanding patterns in ecological systems lies in employing methods that can analyse, test and draw inference from measured associations between variables across scales. Hierarchical linear models (HLM) use advanced estimation algorithms to measure regression relationships and variance-covariance parameters in hierarchically structured...

Toward a Semantic Forum for Active Collaborative Learning

ERIC Educational Resources Information Center

Li, Yanyan; Dong, Mingkai; Huang, Ronghuai

2009-01-01

Online discussion forums provide open workspace allowing learners to share information, exchange ideas, address problems and discuss on specific themes. But the substantial impediment to its promotion as effective e-learning facility lies in the continuously increasing messages but with discrete and incoherent structure as well as the loosely-tied…

Partnership across Programs and Schools: Fostering Collaboration in Shared Spaces

ERIC Educational Resources Information Center

Han, Heejeong Sophia; Parker, Audra K.; Berson, Ilene R.

2014-01-01

Recent reports call for a structural transformation of teacher preparation programs with increased attention to quality field-based learning experiences for pre-service teachers. Ideally, this occurs in the context of robust university-school partnerships. The challenges lie in identifying such school sites and building meaningful, reciprocal…

Synthesis of the Anticonvulsant Drug 5,5-Diphenylhydantoin: An Undergraduate Organic Chemistry Experiment.

ERIC Educational Resources Information Center

Hayward, Rodney C.

1983-01-01

Hydantoins are a drug family lying within the broadly related ureide structural frame which encompasses many of the anticonvulsant drugs used in treatment of various types of epilepsy. Background information and experimental procedures are provided for the synthesis of the hydantoin 5,5-diphenylhydantoin. (JN)

A Hamiltonian electromagnetic gyrofluid model

NASA Astrophysics Data System (ADS)

Waelbroeck, F. L.; Hazeltine, R. D.; Morrison, P. J.

2009-03-01

An isothermal truncation of the electromagnetic gyrofluid model of Snyder and Hammett [Phys. Plasmas 8, 3199 (2001)] is shown to be Hamiltonian. The corresponding noncanonical Lie-Poisson bracket and its Casimir invariants are presented. The invariants are used to obtain a set of coupled Grad-Shafranov equations describing equilibria and propagating coherent structures.